smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCOCC1 ZINC000657129234 844152531 /nfs/dbraw/zinc/15/25/31/844152531.db2.gz HVRDYSKUDDOCOS-UHFFFAOYSA-N -1 3 394.718 3.506 20 30 GHEDHM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000174009090 836361697 /nfs/dbraw/zinc/36/16/97/836361697.db2.gz KBOHUWVSLXMUGZ-HNNXBMFYSA-N -1 3 397.454 3.618 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138692198 836471554 /nfs/dbraw/zinc/47/15/54/836471554.db2.gz BKPSOUDTBWKGJG-CYBMUJFWSA-N -1 3 382.782 3.626 20 30 GHEDHM COc1cccc([C@@H](C)c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000612916851 836960409 /nfs/dbraw/zinc/96/04/09/836960409.db2.gz APLOZBUYCIVIGA-GFCCVEGCSA-N -1 3 378.432 3.604 20 30 GHEDHM CCS(=O)(=O)Nc1ccc(N=Cc2cc(Br)ccc2[O-])cc1C ZINC000255899731 837049950 /nfs/dbraw/zinc/04/99/50/837049950.db2.gz WYKRCBGBBKJDIS-UHFFFAOYSA-N -1 3 397.294 3.975 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)sc2C1 ZINC000066269745 837062455 /nfs/dbraw/zinc/06/24/55/837062455.db2.gz RFFXWIYFRVQURP-SNVBAGLBSA-N -1 3 399.428 3.676 20 30 GHEDHM Cc1c(F)c(Br)ccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000659049994 837376852 /nfs/dbraw/zinc/37/68/52/837376852.db2.gz FFTMFBICBBZZLS-GFCCVEGCSA-N -1 3 391.244 3.705 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000066764840 838986827 /nfs/dbraw/zinc/98/68/27/838986827.db2.gz KEDXFSNXROSQTN-LJQANCHMSA-N -1 3 377.488 3.592 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2 ZINC000728766690 840439924 /nfs/dbraw/zinc/43/99/24/840439924.db2.gz GGANHMZYJWCJTE-INIZCTEOSA-N -1 3 382.485 3.907 20 30 GHEDHM C=C1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000430554610 841051627 /nfs/dbraw/zinc/05/16/27/841051627.db2.gz GLUYXWPJXGIVKH-UHFFFAOYSA-N -1 3 381.657 3.736 20 30 GHEDHM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125088245 841280840 /nfs/dbraw/zinc/28/08/40/841280840.db2.gz RYJNVNJXEPVUAF-AWEZNQCLSA-N -1 3 380.404 3.614 20 30 GHEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2S[C@H](C)CC#N)c([O-])c1 ZINC000066931926 842602813 /nfs/dbraw/zinc/60/28/13/842602813.db2.gz CHKPXXIEBXCMLO-OAHLLOKOSA-N -1 3 397.500 3.854 20 30 GHEDHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000150975150 843877087 /nfs/dbraw/zinc/87/70/87/843877087.db2.gz CFKOMQFCEPBQFY-OAHLLOKOSA-N -1 3 395.503 3.598 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cc1Cl ZINC000432964783 844779787 /nfs/dbraw/zinc/77/97/87/844779787.db2.gz BTJOHTWOAFOKEG-AWEZNQCLSA-N -1 3 392.761 3.775 20 30 GHEDHM Cc1cc2sc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc2c(C)c1 ZINC000023324858 845225070 /nfs/dbraw/zinc/22/50/70/845225070.db2.gz PXDJBHNQYPDAOV-UHFFFAOYSA-N -1 3 380.473 3.661 20 30 GHEDHM CCc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1ccccc1Cl ZINC000563225872 846064607 /nfs/dbraw/zinc/06/46/07/846064607.db2.gz SJFBTBIXJVZKDR-UHFFFAOYSA-N -1 3 380.901 3.770 20 30 GHEDHM N#C[C@@]1([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)CCc2ccccc2C1 ZINC000187756878 846956667 /nfs/dbraw/zinc/95/66/67/846956667.db2.gz HTPRXFZSNNYUGV-GOSISDBHSA-N -1 3 394.418 3.576 20 30 GHEDHM CC[C@@H]1C[C@]1(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc(C)c1 ZINC000501654945 847076688 /nfs/dbraw/zinc/07/66/88/847076688.db2.gz DFZUIAWOCXCSFX-UZUQRXQVSA-N -1 3 377.488 3.958 20 30 GHEDHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)co2)cc1 ZINC000503510338 847745591 /nfs/dbraw/zinc/74/55/91/847745591.db2.gz ZIQOWRXSZUUMKA-UHFFFAOYSA-N -1 3 387.848 3.654 20 30 GHEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nn1-c1ccccc1 ZINC000731768264 861853949 /nfs/dbraw/zinc/85/39/49/861853949.db2.gz GAYUSQKWCOFWQE-IBGZPJMESA-N -1 3 395.422 3.690 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000731937004 861977189 /nfs/dbraw/zinc/97/71/89/861977189.db2.gz DKUGQEHSIBAGGA-UHFFFAOYSA-N -1 3 397.475 3.632 20 30 GHEDHM C[C@@H](C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)N(C)CC(F)(F)F ZINC000504335733 850029791 /nfs/dbraw/zinc/02/97/91/850029791.db2.gz HKMJMBKVLQYTCW-WRWORJQWSA-N -1 3 378.263 3.567 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)cc(=O)[n-]1 ZINC000473771902 851900481 /nfs/dbraw/zinc/90/04/81/851900481.db2.gz GPMBBMZFMIUELD-UHFFFAOYSA-N -1 3 388.431 3.500 20 30 GHEDHM COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000436755587 852302302 /nfs/dbraw/zinc/30/23/02/852302302.db2.gz OKPPGVJQIRDVBP-NRFANRHFSA-N -1 3 393.487 3.547 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000732549160 862349782 /nfs/dbraw/zinc/34/97/82/862349782.db2.gz ZOHXTJAKEPQTQJ-LBPRGKRZSA-N -1 3 397.866 3.615 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(C)c(C)c(C)c(C)c1C ZINC000151363224 853349102 /nfs/dbraw/zinc/34/91/02/853349102.db2.gz NACDQTOYXWXAHU-UHFFFAOYSA-N -1 3 379.504 3.655 20 30 GHEDHM COC(=O)COc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000517306199 853640665 /nfs/dbraw/zinc/64/06/65/853640665.db2.gz NCPDRUFLHHLNHZ-KRWDZBQOSA-N -1 3 392.436 3.852 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1F ZINC000029002788 855452175 /nfs/dbraw/zinc/45/21/75/855452175.db2.gz WMVQTSVOPZNQLH-UHFFFAOYSA-N -1 3 382.844 3.504 20 30 GHEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000508105303 856925264 /nfs/dbraw/zinc/92/52/64/856925264.db2.gz WPRMPYOFKNEVAQ-LBPRGKRZSA-N -1 3 386.848 3.672 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(Cl)c1 ZINC000486509730 857805747 /nfs/dbraw/zinc/80/57/47/857805747.db2.gz QDPTYCSTRQPVNW-UHFFFAOYSA-N -1 3 385.754 3.903 20 30 GHEDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000593947752 857826732 /nfs/dbraw/zinc/82/67/32/857826732.db2.gz NHHCDWQTQIRJLJ-GOSISDBHSA-N -1 3 382.460 3.811 20 30 GHEDHM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)cs1 ZINC000442533922 857923005 /nfs/dbraw/zinc/92/30/05/857923005.db2.gz WIDQYDKFDVMBLY-MRXNPFEDSA-N -1 3 377.473 3.927 20 30 GHEDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000594691630 858256295 /nfs/dbraw/zinc/25/62/95/858256295.db2.gz WMXYIAWEBUYVID-GOSISDBHSA-N -1 3 380.444 3.565 20 30 GHEDHM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCCC1 ZINC000594884884 858307783 /nfs/dbraw/zinc/30/77/83/858307783.db2.gz XRFQXOFRSBSNCS-UHFFFAOYSA-N -1 3 391.718 3.855 20 30 GHEDHM COC(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)[n-]1 ZINC000550571864 859297883 /nfs/dbraw/zinc/29/78/83/859297883.db2.gz FQTHHQGZDSTGPW-UHFFFAOYSA-N -1 3 391.402 3.968 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(Cl)c([N+](=O)[O-])c1 ZINC000764303818 859366326 /nfs/dbraw/zinc/36/63/26/859366326.db2.gz QVANCXFWPKTFCA-UHFFFAOYSA-N -1 3 381.131 3.934 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593354864 859557050 /nfs/dbraw/zinc/55/70/50/859557050.db2.gz VJWHICMYSIBRLF-ZDUSSCGKSA-N -1 3 381.451 3.536 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000611549988 859807931 /nfs/dbraw/zinc/80/79/31/859807931.db2.gz LLTLTJVHHNYQDP-GDWUOILNSA-N -1 3 375.472 3.913 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000597855511 859873571 /nfs/dbraw/zinc/87/35/71/859873571.db2.gz SCSOMRDHOODKSC-UHFFFAOYSA-N -1 3 378.259 3.832 20 30 GHEDHM C=CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000727039711 859897269 /nfs/dbraw/zinc/89/72/69/859897269.db2.gz JFRPCTYOFJZNHG-UHFFFAOYSA-N -1 3 383.828 3.931 20 30 GHEDHM C#CCCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000727042324 859897283 /nfs/dbraw/zinc/89/72/83/859897283.db2.gz SPNBSCLRHKIGPX-UHFFFAOYSA-N -1 3 395.839 3.768 20 30 GHEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000153985630 859951175 /nfs/dbraw/zinc/95/11/75/859951175.db2.gz KYOQPPSMUPYJBW-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM O=C(c1ccoc1C1(O)CCOCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180368 860187836 /nfs/dbraw/zinc/18/78/36/860187836.db2.gz KLMYIKVNNZAMKU-UHFFFAOYSA-N -1 3 386.231 3.616 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000730417584 861101284 /nfs/dbraw/zinc/10/12/84/861101284.db2.gz QKZFKCFHRWRMIK-HNNXBMFYSA-N -1 3 394.431 3.834 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000522724584 863147066 /nfs/dbraw/zinc/14/70/66/863147066.db2.gz ZNHBPTLJMZQOAR-UHFFFAOYSA-N -1 3 395.850 3.686 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1scnc1-c1ccccc1 ZINC000522870680 863611538 /nfs/dbraw/zinc/61/15/38/863611538.db2.gz LPHADZXFLQCSRN-UHFFFAOYSA-N -1 3 378.457 3.971 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccc(OCC(F)(F)F)n1 ZINC000172545170 863720698 /nfs/dbraw/zinc/72/06/98/863720698.db2.gz DQTAYBQBEXHWPN-GFCCVEGCSA-N -1 3 397.740 3.637 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCCC)c2ccccc2)ccc1F ZINC000071863027 864031889 /nfs/dbraw/zinc/03/18/89/864031889.db2.gz NAXCNRHZTCKTIP-UHFFFAOYSA-N -1 3 390.480 3.737 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H](C)C#N)c([N+](=O)[O-])c2)c(C)c1 ZINC000301449358 865367968 /nfs/dbraw/zinc/36/79/68/865367968.db2.gz SNRJIZPVJZIIHO-ZDUSSCGKSA-N -1 3 388.449 3.584 20 30 GHEDHM N#CC(=C([O-])c1ccc(-c2ccccc2)[nH]1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000171796793 865375102 /nfs/dbraw/zinc/37/51/02/865375102.db2.gz MVUWYKDWTAXZCW-INIZCTEOSA-N -1 3 395.426 3.683 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1cc(F)ccc1N1CCOCC1 ZINC000740763924 866006037 /nfs/dbraw/zinc/00/60/37/866006037.db2.gz UDZLSBLCBAOKPX-CIAFOILYSA-N -1 3 393.256 3.750 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccccc1C#Cc1ccccc1 ZINC000481212240 866021890 /nfs/dbraw/zinc/02/18/90/866021890.db2.gz ZBEHTRUOIABUMH-UHFFFAOYSA-N -1 3 385.349 3.545 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793123735 881930917 /nfs/dbraw/zinc/93/09/17/881930917.db2.gz JGBCBEIJSAPIJW-OAHLLOKOSA-N -1 3 378.819 3.615 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1csc(-c2cnccn2)n1 ZINC000741111096 866231766 /nfs/dbraw/zinc/23/17/66/866231766.db2.gz GPHPYAGNGOMXAD-OAHLLOKOSA-N -1 3 399.435 3.714 20 30 GHEDHM C=CC[C@H]1N(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)CCCC1(C)C ZINC000444777141 867220567 /nfs/dbraw/zinc/22/05/67/867220567.db2.gz DSVDMEJDAILXBY-CYBMUJFWSA-N -1 3 389.521 3.646 20 30 GHEDHM C=CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000154227825 867745619 /nfs/dbraw/zinc/74/56/19/867745619.db2.gz ONLOPUGWZUMRCU-UHFFFAOYSA-N -1 3 396.871 3.846 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc(-c2ccncc2)c1 ZINC000743448274 868197145 /nfs/dbraw/zinc/19/71/45/868197145.db2.gz HUUDHKQWTFUPGV-UHFFFAOYSA-N -1 3 379.485 3.635 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cncc2ccccc12 ZINC000772836822 882404515 /nfs/dbraw/zinc/40/45/15/882404515.db2.gz GVGYOFCOGZICAB-GOSISDBHSA-N -1 3 389.440 3.510 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1[O-] ZINC001193143475 870917083 /nfs/dbraw/zinc/91/70/83/870917083.db2.gz HNAJVGHDAPPIAO-GFCCVEGCSA-N -1 3 385.395 3.771 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc3[nH]ccc3s2)C1=O ZINC000793986699 882521762 /nfs/dbraw/zinc/52/17/62/882521762.db2.gz OSUYZNDJEXWZAZ-SFHVURJKSA-N -1 3 376.482 3.545 20 30 GHEDHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)nc2Br)c1 ZINC001195115988 872181557 /nfs/dbraw/zinc/18/15/57/872181557.db2.gz JXFIQQWXQLGQHT-UHFFFAOYSA-N -1 3 380.267 3.640 20 30 GHEDHM COc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccc3)cs2)cc1 ZINC000128135533 872347819 /nfs/dbraw/zinc/34/78/19/872347819.db2.gz MLNXYYHUWNUHON-INIZCTEOSA-N -1 3 377.425 3.780 20 30 GHEDHM N#Cc1cccc(-c2cc(C(=O)Nc3cc(Br)ccc3[O-])no2)c1 ZINC001196768015 873339390 /nfs/dbraw/zinc/33/93/90/873339390.db2.gz KAUINUFNODGNMM-UHFFFAOYSA-N -1 3 384.189 3.934 20 30 GHEDHM N#Cc1ccc(CCN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001197069587 873576248 /nfs/dbraw/zinc/57/62/48/873576248.db2.gz JRSNYNAKNXVRNI-KRWDZBQOSA-N -1 3 387.405 3.773 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1Br ZINC001197311251 873699591 /nfs/dbraw/zinc/69/95/91/873699591.db2.gz ZMGVOAPLIOIQRH-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM C#C[C@H](C)N(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000769646703 874211419 /nfs/dbraw/zinc/21/14/19/874211419.db2.gz ZCXFBAWDAZDRLL-SFHVURJKSA-N -1 3 398.528 3.815 20 30 GHEDHM COc1ccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c(Br)c1[O-] ZINC000769821624 874283917 /nfs/dbraw/zinc/28/39/17/874283917.db2.gz JHNYLJNOCFLUTP-UHFFFAOYSA-N -1 3 384.161 3.657 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOc1ccc(F)cc1Cl ZINC000769785041 874287623 /nfs/dbraw/zinc/28/76/23/874287623.db2.gz GJFKALWKSLMERD-UHFFFAOYSA-N -1 3 392.814 3.623 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CCc2cc(Cl)ccc2Br)c1[O-] ZINC000771836851 875480011 /nfs/dbraw/zinc/48/00/11/875480011.db2.gz QFQPKIMXWZKMHP-UWVJOHFNSA-N -1 3 383.673 3.665 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1C#N ZINC001201320422 875630855 /nfs/dbraw/zinc/63/08/55/875630855.db2.gz ZHQCCSBZIPSRBX-UHFFFAOYSA-N -1 3 379.441 3.642 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C3CCCC3)n2)cc1Cl ZINC000121577131 875676471 /nfs/dbraw/zinc/67/64/71/875676471.db2.gz ASRDOXRLPZDFHL-CQSZACIVSA-N -1 3 386.839 3.621 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000776278718 876161995 /nfs/dbraw/zinc/16/19/95/876161995.db2.gz FQRWQMLLIXDGDD-HXUWFJFHSA-N -1 3 390.370 3.940 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2c(cccc2C([O-])=C(C#N)c2ccccn2)C1 ZINC000850755095 877141773 /nfs/dbraw/zinc/14/17/73/877141773.db2.gz AWLGMRJRZILUOK-SFHVURJKSA-N -1 3 377.444 3.865 20 30 GHEDHM CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cc(C)ccc1OC ZINC000179525589 877679908 /nfs/dbraw/zinc/67/99/08/877679908.db2.gz BGEPDJHHZYTAFB-LJQANCHMSA-N -1 3 382.460 3.808 20 30 GHEDHM O=C1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CN1c1c(F)cccc1F ZINC000179721603 877886924 /nfs/dbraw/zinc/88/69/24/877886924.db2.gz XFTFEMDAHVZBEI-CGYLCNSDSA-N -1 3 395.203 3.657 20 30 GHEDHM CC(C)(C#N)CS(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000914389885 879773414 /nfs/dbraw/zinc/77/34/14/879773414.db2.gz KLSLGKACLVVBKB-UHFFFAOYSA-N -1 3 375.475 3.525 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(-c2nccs2)c1 ZINC000790872193 880038833 /nfs/dbraw/zinc/03/88/33/880038833.db2.gz CWXWFROZJZTDLY-UHFFFAOYSA-N -1 3 379.441 3.937 20 30 GHEDHM C=CC(C)(C)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000452777551 880050807 /nfs/dbraw/zinc/05/08/07/880050807.db2.gz VGNQVXWMTMYJCB-UHFFFAOYSA-N -1 3 383.673 3.886 20 30 GHEDHM O=C(CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[N-]CC(F)(F)F ZINC000183340897 880090061 /nfs/dbraw/zinc/09/00/61/880090061.db2.gz DTOJWXAJCHINEK-SNVBAGLBSA-N -1 3 382.226 3.577 20 30 GHEDHM O=C(CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[N-]CC(F)(F)F ZINC000183340876 880090580 /nfs/dbraw/zinc/09/05/80/880090580.db2.gz DTOJWXAJCHINEK-JTQLQIEISA-N -1 3 382.226 3.577 20 30 GHEDHM C[C@H](Sc1nnc(CC#N)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000477061766 883666863 /nfs/dbraw/zinc/66/68/63/883666863.db2.gz ZLMVUPQVPPHAIT-VIFPVBQESA-N -1 3 398.473 3.705 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)sc1Br ZINC000542517095 884050999 /nfs/dbraw/zinc/05/09/99/884050999.db2.gz HETVRWXROBRAQR-ZANVPECISA-N -1 3 377.329 3.570 20 30 GHEDHM C=CCOC(=O)c1sc2[nH]c(-c3cc([O-])cc(Cl)c3)nc(=O)c2c1C ZINC000806555381 884805516 /nfs/dbraw/zinc/80/55/16/884805516.db2.gz CQHCTMRAWZIAHT-UHFFFAOYSA-N -1 3 376.821 3.662 20 30 GHEDHM COc1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)cc1[N-]S(C)(=O)=O ZINC000795814629 912869458 /nfs/dbraw/zinc/86/94/58/912869458.db2.gz WDCSJRCCPDUFSO-GOSISDBHSA-N -1 3 385.489 3.818 20 30 GHEDHM COc1ccc(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1OC(F)F ZINC000860853711 885052192 /nfs/dbraw/zinc/05/21/92/885052192.db2.gz MTFYFXKWKBFVHP-MRXNPFEDSA-N -1 3 399.393 3.849 20 30 GHEDHM COc1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1OC(F)F ZINC000860853711 885052209 /nfs/dbraw/zinc/05/22/09/885052209.db2.gz MTFYFXKWKBFVHP-MRXNPFEDSA-N -1 3 399.393 3.849 20 30 GHEDHM Cc1nc2sc3c(c2c(=O)n1N=Cc1c(F)ccc([O-])c1F)CCCCC3 ZINC000794471767 886763722 /nfs/dbraw/zinc/76/37/22/886763722.db2.gz PUNXDTPZHYOZBH-UHFFFAOYSA-N -1 3 389.427 3.901 20 30 GHEDHM N#Cc1cccc(OC2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)c1 ZINC000459344097 887521542 /nfs/dbraw/zinc/52/15/42/887521542.db2.gz UJNHYZKQVFILMY-UHFFFAOYSA-N -1 3 386.455 3.764 20 30 GHEDHM COc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c(OC(F)F)c1 ZINC000763105400 887666710 /nfs/dbraw/zinc/66/67/10/887666710.db2.gz QEIRHRULYFNNNT-ALCCZGGFSA-N -1 3 380.343 3.916 20 30 GHEDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C#N)c(Cl)cc1Cl ZINC000916073479 888699705 /nfs/dbraw/zinc/69/97/05/888699705.db2.gz DCXDMNOHXGYOCH-VHSXEESVSA-N -1 3 393.292 3.529 20 30 GHEDHM [O-]c1ccc(Br)cc1C=NN1C(=S)N=NC1c1cccs1 ZINC000916314051 888915620 /nfs/dbraw/zinc/91/56/20/888915620.db2.gz LVAYWYDGKMEIPY-UHFFFAOYSA-N -1 3 381.280 3.646 20 30 GHEDHM Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](C[N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000811856887 890051110 /nfs/dbraw/zinc/05/11/10/890051110.db2.gz VVZKTUNGOCVPRN-CQSZACIVSA-N -1 3 390.409 3.618 20 30 GHEDHM C=C(C)COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000918490535 893821333 /nfs/dbraw/zinc/82/13/33/893821333.db2.gz UHIBUSVVLUNWJN-UHFFFAOYSA-N -1 3 375.446 3.537 20 30 GHEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)nc1 ZINC000815910448 894287398 /nfs/dbraw/zinc/28/73/98/894287398.db2.gz YCXXXFBDBNSDDX-RDTXWAMCSA-N -1 3 393.443 3.733 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000566267172 896208488 /nfs/dbraw/zinc/20/84/88/896208488.db2.gz QRUXFCSCFWVZHA-HSZRJFAPSA-N -1 3 395.478 3.971 20 30 GHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000566740941 896534895 /nfs/dbraw/zinc/53/48/95/896534895.db2.gz PTNDFMNIAFTQFN-UHFFFAOYSA-N -1 3 382.379 3.838 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(C)nc(Cl)c1 ZINC000778605008 897314876 /nfs/dbraw/zinc/31/48/76/897314876.db2.gz PGCIGOKTMYRDEB-GFCCVEGCSA-N -1 3 392.242 3.975 20 30 GHEDHM COCc1ccccc1CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000568807457 898117150 /nfs/dbraw/zinc/11/71/50/898117150.db2.gz FAVKRLWDVNYJMA-QGZVFWFLSA-N -1 3 398.406 3.536 20 30 GHEDHM Fc1cccc(F)c1-c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822787272 898624170 /nfs/dbraw/zinc/62/41/70/898624170.db2.gz WHLLTZMQLXBVAU-UHFFFAOYSA-N -1 3 380.358 3.529 20 30 GHEDHM Fc1cccc(F)c1-c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822787272 898624174 /nfs/dbraw/zinc/62/41/74/898624174.db2.gz WHLLTZMQLXBVAU-UHFFFAOYSA-N -1 3 380.358 3.529 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000823909719 899296505 /nfs/dbraw/zinc/29/65/05/899296505.db2.gz OLKZABRNKIXVLM-FQEVSTJZSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000823909719 899296522 /nfs/dbraw/zinc/29/65/22/899296522.db2.gz OLKZABRNKIXVLM-FQEVSTJZSA-N -1 3 391.475 3.584 20 30 GHEDHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc([O-])cc3C)c(C#N)c21 ZINC001186167024 914361431 /nfs/dbraw/zinc/36/14/31/914361431.db2.gz GJURKSPOSBUWLN-AWEZNQCLSA-N -1 3 384.457 3.869 20 30 GHEDHM C[C@H](NC(=O)NCCCCC#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499448 899666691 /nfs/dbraw/zinc/66/66/91/899666691.db2.gz PMYXODMXMUOJPX-HNNXBMFYSA-N -1 3 389.463 3.588 20 30 GHEDHM C[C@H](NC(=O)NCCCCC#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499448 899666696 /nfs/dbraw/zinc/66/66/96/899666696.db2.gz PMYXODMXMUOJPX-HNNXBMFYSA-N -1 3 389.463 3.588 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2c(Br)cccc21 ZINC000826475352 900841457 /nfs/dbraw/zinc/84/14/57/900841457.db2.gz CMKUZAJHQLUOSX-TWGQIWQCSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2c(Br)cccc21 ZINC000826475352 900841459 /nfs/dbraw/zinc/84/14/59/900841459.db2.gz CMKUZAJHQLUOSX-TWGQIWQCSA-N -1 3 387.262 3.903 20 30 GHEDHM COc1cccc(CO[C@@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845839695 902453495 /nfs/dbraw/zinc/45/34/95/902453495.db2.gz VTGAZJCGBCULIH-OXJNMPFZSA-N -1 3 377.440 3.610 20 30 GHEDHM COc1ccc(C(=O)CCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1F ZINC000845841827 902461069 /nfs/dbraw/zinc/46/10/69/902461069.db2.gz QRFVHDJYHNUFOO-KRWDZBQOSA-N -1 3 393.414 3.807 20 30 GHEDHM CC(=O)Nc1cccc(OCC/N=C/c2cc(Br)ccc2[O-])c1 ZINC000103716646 906072769 /nfs/dbraw/zinc/07/27/69/906072769.db2.gz FKZRODMUGMXULG-YBFXNURJSA-N -1 3 377.238 3.611 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000193402465 908335701 /nfs/dbraw/zinc/33/57/01/908335701.db2.gz UJGAEOUIXZQOQP-QGZVFWFLSA-N -1 3 378.819 3.795 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc2ccccc2s1 ZINC000779891989 909063694 /nfs/dbraw/zinc/06/36/94/909063694.db2.gz BFUDTXSDDPMGDQ-JTQLQIEISA-N -1 3 377.878 3.861 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)COc2ccc(C(C)C)cc2)c(C)c1[O-] ZINC001180544602 910232613 /nfs/dbraw/zinc/23/26/13/910232613.db2.gz QSEPZURTRHVXEA-UHFFFAOYSA-N -1 3 396.443 3.890 20 30 GHEDHM Cc1ccc(CSc2nc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)n[n-]2)cc1 ZINC001180832129 910368392 /nfs/dbraw/zinc/36/83/92/910368392.db2.gz AZPKTLBHMBGKKV-CQSZACIVSA-N -1 3 393.472 3.683 20 30 GHEDHM CCC(C)(C)NC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1cccc(C)c1 ZINC000773939774 910929035 /nfs/dbraw/zinc/92/90/35/910929035.db2.gz YCVIWFNQDIFNIL-UHFFFAOYSA-O -1 3 399.540 3.574 20 30 GHEDHM C=CCN(CCc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292236 910953451 /nfs/dbraw/zinc/95/34/51/910953451.db2.gz IJHWNZFIMVFJFP-UHFFFAOYSA-N -1 3 386.805 3.783 20 30 GHEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC001187035718 915008022 /nfs/dbraw/zinc/00/80/22/915008022.db2.gz LDAZUCONFRCCJB-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000295450387 917316272 /nfs/dbraw/zinc/31/62/72/917316272.db2.gz GHGKLZDNUFBHCY-LJQANCHMSA-N -1 3 385.414 3.680 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1F ZINC001191365228 917967323 /nfs/dbraw/zinc/96/73/23/917967323.db2.gz XOPTWIXUTJJWSX-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363405571 918217696 /nfs/dbraw/zinc/21/76/96/918217696.db2.gz SRXUPBGCLQPTFU-IBGZPJMESA-N -1 3 385.414 3.850 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1ccc(C#N)nc1 ZINC000115904067 919479487 /nfs/dbraw/zinc/47/94/87/919479487.db2.gz MZFWQMDFKDWTIN-SFHVURJKSA-N -1 3 382.379 3.707 20 30 GHEDHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N([O-])Cc1ccc(F)cc1 ZINC000900096070 919840009 /nfs/dbraw/zinc/84/00/09/919840009.db2.gz PTDJRYOWQHZXJF-UHFFFAOYSA-N -1 3 375.787 3.880 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000298379977 920469751 /nfs/dbraw/zinc/46/97/51/920469751.db2.gz PHABHWDZRYOEHY-CYBMUJFWSA-N -1 3 389.402 3.687 20 30 GHEDHM Cc1cccc(F)c1-n1nc(C(=O)N([O-])Cc2ccc(F)cc2)c2c1CCC2 ZINC000901372724 921049402 /nfs/dbraw/zinc/04/94/02/921049402.db2.gz KRPHRALYGCYEAB-UHFFFAOYSA-N -1 3 383.398 3.979 20 30 GHEDHM Cc1sc2[nH]c(CCC(=O)N([O-])Cc3ccc(F)cc3)nc(=O)c2c1C ZINC000901374869 921051826 /nfs/dbraw/zinc/05/18/26/921051826.db2.gz UXTGYMJDARRMKA-UHFFFAOYSA-N -1 3 375.425 3.503 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374957 921052171 /nfs/dbraw/zinc/05/21/71/921052171.db2.gz YAOPZCJCLDPZCD-SFHVURJKSA-N -1 3 388.439 3.680 20 30 GHEDHM O=C(CCc1nc(-c2ccco2)no1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379874 921056754 /nfs/dbraw/zinc/05/67/54/921056754.db2.gz HFLZNSKFSZBCPA-UHFFFAOYSA-N -1 3 382.203 3.987 20 30 GHEDHM CO[C@H]1CCc2c(C#N)c([N-]C(=O)c3snnc3C(C)(C)C)sc2C1 ZINC000410968162 925964164 /nfs/dbraw/zinc/96/41/64/925964164.db2.gz LWMSZJNVJRXMJF-VIFPVBQESA-N -1 3 376.507 3.525 20 30 GHEDHM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000726732164 926822440 /nfs/dbraw/zinc/82/24/40/926822440.db2.gz BHWVBLSCHGMIIX-OAHLLOKOSA-N -1 3 378.819 3.795 20 30 GHEDHM CSCC(=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000749443466 927106472 /nfs/dbraw/zinc/10/64/72/927106472.db2.gz GOXDHLHAMVXPCQ-KRWDZBQOSA-N -1 3 398.513 3.695 20 30 GHEDHM CC[C@H](C/N=C/c1c([O-])c(C)ncc1CO)Oc1cccc(C(F)(F)F)c1 ZINC000750817430 927870588 /nfs/dbraw/zinc/87/05/88/927870588.db2.gz FOLYFGOOXWCYOF-GQLBNTDBSA-N -1 3 382.382 3.883 20 30 GHEDHM CCc1ncc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000752164604 928652930 /nfs/dbraw/zinc/65/29/30/928652930.db2.gz KCQGDILCAZUDKF-UHFFFAOYSA-N -1 3 386.502 3.952 20 30 GHEDHM COc1cccc2c1C/C(=C/c1cc(Br)c([O-])c(OC)c1)C2=O ZINC000759663500 930444132 /nfs/dbraw/zinc/44/41/32/930444132.db2.gz DAQRIDIOWCNUOO-WDZFZDKYSA-N -1 3 375.218 3.994 20 30 GHEDHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471089095 931142505 /nfs/dbraw/zinc/14/25/05/931142505.db2.gz OLDDELZKJILSFI-UFBFGSQYSA-N -1 3 390.274 3.569 20 30 GHEDHM C[C@H](OC(=O)c1ccc(I)c([O-])c1)c1cccc(C#N)c1 ZINC000784710473 931984816 /nfs/dbraw/zinc/98/48/16/931984816.db2.gz FWKKVAOYTPHSOX-JTQLQIEISA-N -1 3 393.180 3.786 20 30 GHEDHM CC1(C#N)CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)CC1 ZINC001123534630 935219207 /nfs/dbraw/zinc/21/92/07/935219207.db2.gz VUVAJALSNZYAJC-UHFFFAOYSA-N -1 3 394.504 3.800 20 30 GHEDHM C#Cc1ccc(NC(=O)NCc2ccc(SC)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001573290241 946900672 /nfs/dbraw/zinc/90/06/72/946900672.db2.gz HWYJAVMPPJSLKM-UHFFFAOYSA-N -1 3 398.879 3.545 20 30 GHEDHM C#Cc1ccc(NC(=O)NCc2ccc(SC)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001573290241 946900675 /nfs/dbraw/zinc/90/06/75/946900675.db2.gz HWYJAVMPPJSLKM-UHFFFAOYSA-N -1 3 398.879 3.545 20 30 GHEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@](C)(CC)C1 ZINC001573296952 947056100 /nfs/dbraw/zinc/05/61/00/947056100.db2.gz CHKZMVCREAWMFT-IBGZPJMESA-N -1 3 398.902 3.504 20 30 GHEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@](C)(CC)C1 ZINC001573296952 947056114 /nfs/dbraw/zinc/05/61/14/947056114.db2.gz CHKZMVCREAWMFT-IBGZPJMESA-N -1 3 398.902 3.504 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](c1ccccc1)C(F)F ZINC001573341137 947527169 /nfs/dbraw/zinc/52/71/69/947527169.db2.gz IMHKEBNOCQDOIJ-QGZVFWFLSA-N -1 3 398.417 3.571 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](c1ccccc1)C(F)F ZINC001573341137 947527178 /nfs/dbraw/zinc/52/71/78/947527178.db2.gz IMHKEBNOCQDOIJ-QGZVFWFLSA-N -1 3 398.417 3.571 20 30 GHEDHM C=CC1(CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CCCCC1 ZINC001520160930 962815246 /nfs/dbraw/zinc/81/52/46/962815246.db2.gz NXGUBRYWBGPSKZ-HSZRJFAPSA-N -1 3 384.520 3.749 20 30 GHEDHM C[C@@](CC(=O)[O-])(NCc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC001592328632 977748778 /nfs/dbraw/zinc/74/87/78/977748778.db2.gz NMQFOEQJACJKOX-SFHVURJKSA-N -1 3 391.240 3.940 20 30 GHEDHM C[C@@H](C(=O)[O-])[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001589470132 986953055 /nfs/dbraw/zinc/95/30/55/986953055.db2.gz WRNNQLKOJGJHQA-RDTXWAMCSA-N -1 3 377.362 3.988 20 30 GHEDHM O=[N+]([O-])c1ccc2nc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cnc2c1 ZINC001155909289 1032783971 /nfs/dbraw/zinc/78/39/71/1032783971.db2.gz LJFVPRSGYCUOJY-UHFFFAOYSA-N -1 3 393.281 3.685 20 30 GHEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000190120328 1020613454 /nfs/dbraw/zinc/61/34/54/1020613454.db2.gz UYBAXNVICLMISM-UHFFFAOYSA-N -1 3 397.356 3.754 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccnc(OC(F)F)c1 ZINC000835063809 1021840143 /nfs/dbraw/zinc/84/01/43/1021840143.db2.gz QZTUTJKTVGMGAM-HNNXBMFYSA-N -1 3 387.386 3.769 20 30 GHEDHM C=CCCN(OCc1ccccc1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001138258680 1024487018 /nfs/dbraw/zinc/48/70/18/1024487018.db2.gz KVCYSAPMCGWOFO-UHFFFAOYSA-N -1 3 384.382 3.956 20 30 GHEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cnc(-c4ccccc4)s3)n2)cc1 ZINC000178006207 1028500351 /nfs/dbraw/zinc/50/03/51/1028500351.db2.gz PEAHMCPJGXAXDU-UHFFFAOYSA-N -1 3 386.440 3.574 20 30 GHEDHM O=C1C[C@H]2C[C@H](O/C(=N\[O-])c3ccc(Cl)cc3)[C@@H](C1)N2Cc1ccccc1 ZINC001223592787 1030650925 /nfs/dbraw/zinc/65/09/25/1030650925.db2.gz FHBRPRZCYPXKRW-SFFUKEJLSA-N -1 3 384.863 3.867 20 30 GHEDHM CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC001219606381 1031519015 /nfs/dbraw/zinc/51/90/15/1031519015.db2.gz OZWSZSVFDMCZCP-SECBINFHSA-N -1 3 397.806 3.582 20 30 GHEDHM C=CC[C@@H]1[C@H](Oc2ccccc2-c2nnn[n-]2)CCCN1C(=O)OC(C)(C)C ZINC001229951053 1033811828 /nfs/dbraw/zinc/81/18/28/1033811828.db2.gz PCGOUPDIXXBJFE-NVXWUHKLSA-N -1 3 385.468 3.590 20 30 GHEDHM C=CC[C@@H]1[C@H](Oc2ccccc2-c2nn[n-]n2)CCCN1C(=O)OC(C)(C)C ZINC001229951053 1033811843 /nfs/dbraw/zinc/81/18/43/1033811843.db2.gz PCGOUPDIXXBJFE-NVXWUHKLSA-N -1 3 385.468 3.590 20 30 GHEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3ccc(-c4nn[n-]n4)cc3)[C@@H]12 ZINC001231072497 1034378688 /nfs/dbraw/zinc/37/86/88/1034378688.db2.gz DAVDEILFRXHJEC-ZVVDCOBXSA-N -1 3 392.459 3.622 20 30 GHEDHM CC(C)=CCCC1=CC(=O)c2c([O-])ccc(OC(=O)CCC[C@H](C)O)c2C1=O ZINC001231218422 1034468314 /nfs/dbraw/zinc/46/83/14/1034468314.db2.gz JTGHXABXFUCTOX-AWEZNQCLSA-N -1 3 386.444 3.901 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(-c3ccccc3-c3nnn[n-]3)c2)cc1 ZINC001242769714 1035955276 /nfs/dbraw/zinc/95/52/76/1035955276.db2.gz JEMGODDXEMKSID-UHFFFAOYSA-N -1 3 383.411 3.993 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(-c3ccccc3-c3nn[n-]n3)c2)cc1 ZINC001242769714 1035955281 /nfs/dbraw/zinc/95/52/81/1035955281.db2.gz JEMGODDXEMKSID-UHFFFAOYSA-N -1 3 383.411 3.993 20 30 GHEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cc(Cl)c(OC)cc1[O-])CCO2 ZINC001232266215 1037987696 /nfs/dbraw/zinc/98/76/96/1037987696.db2.gz UWFDZQHJBOBPHZ-OXJNMPFZSA-N -1 3 381.900 3.628 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001233799583 1039625260 /nfs/dbraw/zinc/62/52/60/1039625260.db2.gz LTRNCJMHZNDZMM-YYGXAGMPSA-N -1 3 390.480 3.918 20 30 GHEDHM CC#C[C@H](CC)Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC ZINC001234756533 1040285689 /nfs/dbraw/zinc/28/56/89/1040285689.db2.gz COXDMXXSCOBFLN-LBPRGKRZSA-N -1 3 398.411 3.858 20 30 GHEDHM CC#C[C@H](CC)Oc1c(OC)cc2c(=O)c3c([O-])cc(OC)cc3oc2c1OC ZINC001234756533 1040285708 /nfs/dbraw/zinc/28/57/08/1040285708.db2.gz COXDMXXSCOBFLN-LBPRGKRZSA-N -1 3 398.411 3.858 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1N1CCCC1 ZINC001254950228 1040686170 /nfs/dbraw/zinc/68/61/70/1040686170.db2.gz TVVYVXDFUWKDBM-UHFFFAOYSA-N -1 3 379.844 3.752 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCCC2)ccc1F ZINC001259419346 1045139288 /nfs/dbraw/zinc/13/92/88/1045139288.db2.gz VCXPEYLNJXEJPT-UHFFFAOYSA-N -1 3 377.416 3.628 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(C#N)c2)cc1C ZINC001260638135 1045584884 /nfs/dbraw/zinc/58/48/84/1045584884.db2.gz OZEOPFNYJLERPS-UHFFFAOYSA-N -1 3 385.489 3.666 20 30 GHEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1C#N ZINC001261082163 1045896468 /nfs/dbraw/zinc/89/64/68/1045896468.db2.gz GJGZUNFXWFRBLD-UHFFFAOYSA-N -1 3 399.255 3.594 20 30 GHEDHM CC(C)C(=O)Nc1ccc(Cl)c(C([O-])=C(C#N)c2ncc(Cl)n2C)c1 ZINC001263616170 1046998668 /nfs/dbraw/zinc/99/86/68/1046998668.db2.gz PNEZNGYHGPFEPC-LBPRGKRZSA-N -1 3 379.247 3.811 20 30 GHEDHM O=C(NCCCC(=O)N([O-])Cc1ccccc1Cl)OCc1ccccc1 ZINC001306895295 1048948899 /nfs/dbraw/zinc/94/88/99/1048948899.db2.gz XPKDLJZKLCGYBR-UHFFFAOYSA-N -1 3 376.840 3.764 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1F ZINC001309488362 1050758993 /nfs/dbraw/zinc/75/89/93/1050758993.db2.gz JEKZQIRKFOUXBO-CYBMUJFWSA-N -1 3 376.211 3.924 20 30 GHEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC001309627262 1050876286 /nfs/dbraw/zinc/87/62/86/1050876286.db2.gz VJHFKYUUOLBABE-FQEVSTJZSA-N -1 3 395.484 3.567 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H](COCC)C1 ZINC001342280129 1053068770 /nfs/dbraw/zinc/06/87/70/1053068770.db2.gz ITAUUEDENKOOMQ-CQSZACIVSA-N -1 3 399.520 3.699 20 30 GHEDHM CC(C)(C)OC(=O)N1CCOc2c(cccc2C([O-])=C(C#N)c2ccccn2)C1 ZINC001342709021 1053312593 /nfs/dbraw/zinc/31/25/93/1053312593.db2.gz WAUVFLXIMDHQCY-KRWDZBQOSA-N -1 3 393.443 3.701 20 30 GHEDHM N#CC(=C([O-])c1cc(-n2cccc2)ccc1Cl)c1nnc2n1CCCCC2 ZINC001342917687 1053432837 /nfs/dbraw/zinc/43/28/37/1053432837.db2.gz AHHWIUWDSXBIKU-INIZCTEOSA-N -1 3 379.851 3.939 20 30 GHEDHM COC[C@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=C1CCCCC1 ZINC001317760512 1054249912 /nfs/dbraw/zinc/24/99/12/1054249912.db2.gz CTWHHLAKIRJESN-ZDUSSCGKSA-N -1 3 375.494 3.732 20 30 GHEDHM CCCCOc1ccc([C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC001321830423 1056412749 /nfs/dbraw/zinc/41/27/49/1056412749.db2.gz YXTVTSAZRKBKAH-CQSZACIVSA-N -1 3 388.489 3.674 20 30 GHEDHM O=C(C1CCC(OC[C@H]2CCCO2)CC1)N([O-])CCCCc1ccccc1 ZINC001472619271 1056574137 /nfs/dbraw/zinc/57/41/37/1056574137.db2.gz DVPCIPMNQOMCGT-XVAXZDLZSA-N -1 3 375.509 3.982 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000848140131 1056748301 /nfs/dbraw/zinc/74/83/01/1056748301.db2.gz KYHBEIGHHXYIEH-UHFFFAOYSA-N -1 3 378.856 3.635 20 30 GHEDHM C=CCC[C@@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001324211563 1057089811 /nfs/dbraw/zinc/08/98/11/1057089811.db2.gz ZSXDSBZYCTUEEI-MRXNPFEDSA-N -1 3 390.480 3.563 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(CCCC)CC2)ccc1F ZINC001355893222 1057307689 /nfs/dbraw/zinc/30/76/89/1057307689.db2.gz GHLGEBYQZNAENN-UHFFFAOYSA-N -1 3 396.528 3.769 20 30 GHEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001444533963 1059335235 /nfs/dbraw/zinc/33/52/35/1059335235.db2.gz VWHMVWPPXFXLNE-LPHOPBHVSA-N -1 3 393.393 3.718 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)ccc1F ZINC001455924750 1062355479 /nfs/dbraw/zinc/35/54/79/1062355479.db2.gz CVMXDQVGYBXBQM-YJBOKZPZSA-N -1 3 396.528 3.625 20 30 GHEDHM O=C([C@H]1CCCN(CC(F)(F)F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457991814 1063491987 /nfs/dbraw/zinc/49/19/87/1063491987.db2.gz AHZMZYPGFRRBTN-NSHDSACASA-N -1 3 385.213 3.986 20 30 GHEDHM CC[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C1CCC(C)CC1 ZINC001458001247 1063499459 /nfs/dbraw/zinc/49/94/59/1063499459.db2.gz DMPCOBOVNCUIMC-OFLPRAFFSA-N -1 3 386.492 3.743 20 30 GHEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1 ZINC001464922078 1065274324 /nfs/dbraw/zinc/27/43/24/1065274324.db2.gz BJSDFNVTKKRXCR-HNNXBMFYSA-N -1 3 389.333 3.530 20 30 GHEDHM C=C(C)CNC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC001466682495 1066255072 /nfs/dbraw/zinc/25/50/72/1066255072.db2.gz WKPZLRJYLLLSAR-UHFFFAOYSA-N -1 3 389.477 3.502 20 30 GHEDHM COc1ccc([C@H](CC(=O)N([O-])CCCCc2ccccc2)NC(C)=O)cc1 ZINC001472620051 1073580594 /nfs/dbraw/zinc/58/05/94/1073580594.db2.gz MNFAYGHQKDFQFL-NRFANRHFSA-N -1 3 384.476 3.503 20 30 GHEDHM COCCOc1cc(OC)ccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001472623350 1073581784 /nfs/dbraw/zinc/58/17/84/1073581784.db2.gz ZPKWNZSODFITFH-UHFFFAOYSA-N -1 3 381.428 3.905 20 30 GHEDHM O=C([C@H](c1cccc(F)c1)N1CCOCC1)N([O-])Cc1cccc2ccccc21 ZINC001472623255 1073582442 /nfs/dbraw/zinc/58/24/42/1073582442.db2.gz YOKQRJLQKUJWLE-QFIPXVFZSA-N -1 3 394.446 3.770 20 30 GHEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000737293562 598851256 /nfs/dbraw/zinc/85/12/56/598851256.db2.gz FMPTXLQVXVJTLS-UHFFFAOYSA-N -1 3 377.408 3.502 20 30 GHEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000737293562 598851257 /nfs/dbraw/zinc/85/12/57/598851257.db2.gz FMPTXLQVXVJTLS-UHFFFAOYSA-N -1 3 377.408 3.502 20 30 GHEDHM Clc1ccc(-c2nc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000822568801 607252654 /nfs/dbraw/zinc/25/26/54/607252654.db2.gz XBDWNUCLZWDMNK-UHFFFAOYSA-N -1 3 395.879 3.767 20 30 GHEDHM Clc1ccc(-c2nc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000822568801 607252655 /nfs/dbraw/zinc/25/26/55/607252655.db2.gz XBDWNUCLZWDMNK-UHFFFAOYSA-N -1 3 395.879 3.767 20 30 GHEDHM O=C1C(=Cc2csc(-c3ccccn3)n2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505157 599114841 /nfs/dbraw/zinc/11/48/41/599114841.db2.gz YIASVLNJWBKRIS-JLHYYAGUSA-N -1 3 386.440 3.598 20 30 GHEDHM O=C1C(=Cc2csc(-c3ccccn3)n2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505157 599114843 /nfs/dbraw/zinc/11/48/43/599114843.db2.gz YIASVLNJWBKRIS-JLHYYAGUSA-N -1 3 386.440 3.598 20 30 GHEDHM COc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1OC(F)F ZINC000821862781 599113592 /nfs/dbraw/zinc/11/35/92/599113592.db2.gz FCLGFZMDOGCQJR-ZRDIBKRKSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1OC(F)F ZINC000821862781 599113596 /nfs/dbraw/zinc/11/35/96/599113596.db2.gz FCLGFZMDOGCQJR-ZRDIBKRKSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1ccc(C=C2CSc3ccc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737082990 599153225 /nfs/dbraw/zinc/15/32/25/599153225.db2.gz MBODPQLBNPADQC-WDZFZDKYSA-N -1 3 384.848 3.901 20 30 GHEDHM COc1ccc(C=C2CSc3ccc(Cl)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737082990 599153228 /nfs/dbraw/zinc/15/32/28/599153228.db2.gz MBODPQLBNPADQC-WDZFZDKYSA-N -1 3 384.848 3.901 20 30 GHEDHM COc1ccc2sc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737119778 599191558 /nfs/dbraw/zinc/19/15/58/599191558.db2.gz FYGAGBCPILVHLK-UHFFFAOYSA-N -1 3 390.428 3.522 20 30 GHEDHM COc1ccc2sc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737119778 599191559 /nfs/dbraw/zinc/19/15/59/599191559.db2.gz FYGAGBCPILVHLK-UHFFFAOYSA-N -1 3 390.428 3.522 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000735420756 599199055 /nfs/dbraw/zinc/19/90/55/599199055.db2.gz SPLRWCAPOBGOAD-UHFFFAOYSA-N -1 3 390.422 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000735420756 599199056 /nfs/dbraw/zinc/19/90/56/599199056.db2.gz SPLRWCAPOBGOAD-UHFFFAOYSA-N -1 3 390.422 3.624 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccco1 ZINC000735443378 599286597 /nfs/dbraw/zinc/28/65/97/599286597.db2.gz UCAJDBKRPROQKK-LBPRGKRZSA-N -1 3 379.449 3.758 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccco1 ZINC000735443378 599286599 /nfs/dbraw/zinc/28/65/99/599286599.db2.gz UCAJDBKRPROQKK-LBPRGKRZSA-N -1 3 379.449 3.758 20 30 GHEDHM COc1ccccc1CC(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737152295 598314278 /nfs/dbraw/zinc/31/42/78/598314278.db2.gz JYDHHNHKIMUSBL-UHFFFAOYSA-N -1 3 390.369 3.925 20 30 GHEDHM COc1ccccc1CC(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737152295 598314279 /nfs/dbraw/zinc/31/42/79/598314279.db2.gz JYDHHNHKIMUSBL-UHFFFAOYSA-N -1 3 390.369 3.925 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2cccc(Cl)c2)c1C ZINC000735450830 598584527 /nfs/dbraw/zinc/58/45/27/598584527.db2.gz FEJDGYKIEGIGBD-UHFFFAOYSA-N -1 3 392.854 3.850 20 30 GHEDHM Cc1cc(C(=O)Nc2cc(C#N)ccc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737304837 598612488 /nfs/dbraw/zinc/61/24/88/598612488.db2.gz APPRAXZXVNQQCN-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000735391197 598649613 /nfs/dbraw/zinc/64/96/13/598649613.db2.gz OJVALOSQUZBHLM-UHFFFAOYSA-N -1 3 381.395 3.893 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000735391197 598649615 /nfs/dbraw/zinc/64/96/15/598649615.db2.gz OJVALOSQUZBHLM-UHFFFAOYSA-N -1 3 381.395 3.893 20 30 GHEDHM N#C[C@H](C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccn1 ZINC000737673053 598728029 /nfs/dbraw/zinc/72/80/29/598728029.db2.gz MUIDRLDWYFLTND-SFHVURJKSA-N -1 3 382.383 3.544 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000737722928 598821915 /nfs/dbraw/zinc/82/19/15/598821915.db2.gz ZLQXDKGILYFIRT-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000737722928 598821917 /nfs/dbraw/zinc/82/19/17/598821917.db2.gz ZLQXDKGILYFIRT-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C=CCN(Cc1csc([C@H](C)OCC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425753 599473940 /nfs/dbraw/zinc/47/39/40/599473940.db2.gz FGRQPGXHVMDFBO-AWEZNQCLSA-N -1 3 384.509 3.609 20 30 GHEDHM C=CCN(Cc1csc([C@H](C)OCC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425753 599473942 /nfs/dbraw/zinc/47/39/42/599473942.db2.gz FGRQPGXHVMDFBO-AWEZNQCLSA-N -1 3 384.509 3.609 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000822923817 607456975 /nfs/dbraw/zinc/45/69/75/607456975.db2.gz VGGISKVEVUCHHA-DHZHZOJOSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000822923817 607456978 /nfs/dbraw/zinc/45/69/78/607456978.db2.gz VGGISKVEVUCHHA-DHZHZOJOSA-N -1 3 377.423 3.892 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)c(C)c2c1 ZINC000821854779 607459574 /nfs/dbraw/zinc/45/95/74/607459574.db2.gz VBRSCYRDXXKNGM-FNORWQNLSA-N -1 3 378.363 3.965 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)c(C)c2c1 ZINC000821854779 607459575 /nfs/dbraw/zinc/45/95/75/607459575.db2.gz VBRSCYRDXXKNGM-FNORWQNLSA-N -1 3 378.363 3.965 20 30 GHEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cc(Cl)ccc1Cl ZINC000824762935 607710187 /nfs/dbraw/zinc/71/01/87/607710187.db2.gz JJCZJLHEEYNLOE-SSDOTTSWSA-N -1 3 392.275 3.876 20 30 GHEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cc(Cl)ccc1Cl ZINC000824762935 607710189 /nfs/dbraw/zinc/71/01/89/607710189.db2.gz JJCZJLHEEYNLOE-SSDOTTSWSA-N -1 3 392.275 3.876 20 30 GHEDHM N#Cc1ccccc1C=CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826387019 607769529 /nfs/dbraw/zinc/76/95/29/607769529.db2.gz CMPNMGOFFLLOOC-CMDGGOBGSA-N -1 3 399.439 3.514 20 30 GHEDHM N#Cc1ccccc1C=CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826387019 607769530 /nfs/dbraw/zinc/76/95/30/607769530.db2.gz CMPNMGOFFLLOOC-CMDGGOBGSA-N -1 3 399.439 3.514 20 30 GHEDHM N#Cc1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000822825728 606180724 /nfs/dbraw/zinc/18/07/24/606180724.db2.gz MYLNHXSWVLSDTP-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM N#Cc1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000822825728 606180725 /nfs/dbraw/zinc/18/07/25/606180725.db2.gz MYLNHXSWVLSDTP-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM N#Cc1ccc(F)c(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822829964 606599376 /nfs/dbraw/zinc/59/93/76/606599376.db2.gz RBMBMMFBUITUGK-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1ccc(F)c(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822829964 606599377 /nfs/dbraw/zinc/59/93/77/606599377.db2.gz RBMBMMFBUITUGK-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000819759030 607012720 /nfs/dbraw/zinc/01/27/20/607012720.db2.gz LTMSVLZASQUEMD-UHFFFAOYSA-N -1 3 383.502 3.876 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000819759030 607012721 /nfs/dbraw/zinc/01/27/21/607012721.db2.gz LTMSVLZASQUEMD-UHFFFAOYSA-N -1 3 383.502 3.876 20 30 GHEDHM C=CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccccc1C ZINC000819766341 607016390 /nfs/dbraw/zinc/01/63/90/607016390.db2.gz XDAUTUIODDBXOK-UHFFFAOYSA-N -1 3 389.488 3.912 20 30 GHEDHM C=CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccccc1C ZINC000819766341 607016392 /nfs/dbraw/zinc/01/63/92/607016392.db2.gz XDAUTUIODDBXOK-UHFFFAOYSA-N -1 3 389.488 3.912 20 30 GHEDHM N#Cc1ccc(CSCc2cc(F)ccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822825306 607035751 /nfs/dbraw/zinc/03/57/51/607035751.db2.gz BCRQFQCYQHMZPA-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1ccc(CSCc2cc(F)ccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822825306 607035752 /nfs/dbraw/zinc/03/57/52/607035752.db2.gz BCRQFQCYQHMZPA-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000819745671 607071804 /nfs/dbraw/zinc/07/18/04/607071804.db2.gz ORNLFSMUCNSZQK-UHFFFAOYSA-N -1 3 389.419 3.536 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000819745671 607071806 /nfs/dbraw/zinc/07/18/06/607071806.db2.gz ORNLFSMUCNSZQK-UHFFFAOYSA-N -1 3 389.419 3.536 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)(C)C#N ZINC000824723802 607806091 /nfs/dbraw/zinc/80/60/91/607806091.db2.gz UPQCWZKJWHOLIC-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)(C)C#N ZINC000824723802 607806092 /nfs/dbraw/zinc/80/60/92/607806092.db2.gz UPQCWZKJWHOLIC-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)(C)C#N ZINC000824722170 607806948 /nfs/dbraw/zinc/80/69/48/607806948.db2.gz HEHQSTREABINKX-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)(C)C#N ZINC000824722170 607806949 /nfs/dbraw/zinc/80/69/49/607806949.db2.gz HEHQSTREABINKX-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000826499893 607808313 /nfs/dbraw/zinc/80/83/13/607808313.db2.gz CZVCJAQZLOFOFF-ZDUSSCGKSA-N -1 3 377.408 3.586 20 30 GHEDHM O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000826499893 607808314 /nfs/dbraw/zinc/80/83/14/607808314.db2.gz CZVCJAQZLOFOFF-ZDUSSCGKSA-N -1 3 377.408 3.586 20 30 GHEDHM N#Cc1ccc(SCCCCCCSc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000826386251 608111170 /nfs/dbraw/zinc/11/11/70/608111170.db2.gz WAZYDZWSHHAFPZ-UHFFFAOYSA-N -1 3 397.533 3.973 20 30 GHEDHM N#Cc1ccc(SCCCCCCSc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000826386251 608111171 /nfs/dbraw/zinc/11/11/71/608111171.db2.gz WAZYDZWSHHAFPZ-UHFFFAOYSA-N -1 3 397.533 3.973 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000823883222 608160558 /nfs/dbraw/zinc/16/05/58/608160558.db2.gz LJRKMCVIVYUPCF-NSHDSACASA-N -1 3 398.810 3.727 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000823883222 608160559 /nfs/dbraw/zinc/16/05/59/608160559.db2.gz LJRKMCVIVYUPCF-NSHDSACASA-N -1 3 398.810 3.727 20 30 GHEDHM C[C@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824756837 608205539 /nfs/dbraw/zinc/20/55/39/608205539.db2.gz QETCGVFSJMOZNJ-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824756837 608205541 /nfs/dbraw/zinc/20/55/41/608205541.db2.gz QETCGVFSJMOZNJ-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000823837946 608300620 /nfs/dbraw/zinc/30/06/20/608300620.db2.gz JAYSPEOLIZZWGD-UHFFFAOYSA-N -1 3 391.431 3.800 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000823837946 608300622 /nfs/dbraw/zinc/30/06/22/608300622.db2.gz JAYSPEOLIZZWGD-UHFFFAOYSA-N -1 3 391.431 3.800 20 30 GHEDHM COc1cccc2cc(C(C)N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)oc21 ZINC000826218201 608541126 /nfs/dbraw/zinc/54/11/26/608541126.db2.gz STEYQSFCFGSNBX-UHFFFAOYSA-N -1 3 383.799 3.506 20 30 GHEDHM COc1cccc2cc(C(C)N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)oc21 ZINC000826218201 608541128 /nfs/dbraw/zinc/54/11/28/608541128.db2.gz STEYQSFCFGSNBX-UHFFFAOYSA-N -1 3 383.799 3.506 20 30 GHEDHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826324062 608546084 /nfs/dbraw/zinc/54/60/84/608546084.db2.gz CKHABEZBEHSDFI-UHFFFAOYSA-N -1 3 393.476 3.803 20 30 GHEDHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826324062 608546085 /nfs/dbraw/zinc/54/60/85/608546085.db2.gz CKHABEZBEHSDFI-UHFFFAOYSA-N -1 3 393.476 3.803 20 30 GHEDHM C=CCN(Cc1nc2ccccc2n1CCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914672 608632359 /nfs/dbraw/zinc/63/23/59/608632359.db2.gz LOYUAIUDDZTSBB-UHFFFAOYSA-N -1 3 387.491 3.815 20 30 GHEDHM C=CCN(Cc1nc2ccccc2n1CCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914672 608632363 /nfs/dbraw/zinc/63/23/63/608632363.db2.gz LOYUAIUDDZTSBB-UHFFFAOYSA-N -1 3 387.491 3.815 20 30 GHEDHM C=CCC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000823893938 609227492 /nfs/dbraw/zinc/22/74/92/609227492.db2.gz BSOSDSDTAYRFID-AWEZNQCLSA-N -1 3 390.369 3.651 20 30 GHEDHM C=CCC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000823893938 609227494 /nfs/dbraw/zinc/22/74/94/609227494.db2.gz BSOSDSDTAYRFID-AWEZNQCLSA-N -1 3 390.369 3.651 20 30 GHEDHM CCCC[C@H](ON=C(C)C)C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825267781 609268324 /nfs/dbraw/zinc/26/83/24/609268324.db2.gz NMYQWVHBQQTEID-SFHVURJKSA-N -1 3 386.500 3.577 20 30 GHEDHM CCCC[C@H](ON=C(C)C)C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825267781 609268325 /nfs/dbraw/zinc/26/83/25/609268325.db2.gz NMYQWVHBQQTEID-SFHVURJKSA-N -1 3 386.500 3.577 20 30 GHEDHM CCCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000825339015 609271079 /nfs/dbraw/zinc/27/10/79/609271079.db2.gz LYCIUXNNEBTTIT-XBXARRHUSA-N -1 3 382.395 3.699 20 30 GHEDHM CCCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000825339015 609271080 /nfs/dbraw/zinc/27/10/80/609271080.db2.gz LYCIUXNNEBTTIT-XBXARRHUSA-N -1 3 382.395 3.699 20 30 GHEDHM O=C(C=Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403115 609271124 /nfs/dbraw/zinc/27/11/24/609271124.db2.gz KBXVUHQHGGBDLR-UNXLUWIOSA-N -1 3 394.797 3.741 20 30 GHEDHM O=C(C=Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403115 609271125 /nfs/dbraw/zinc/27/11/25/609271125.db2.gz KBXVUHQHGGBDLR-UNXLUWIOSA-N -1 3 394.797 3.741 20 30 GHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400820 609272870 /nfs/dbraw/zinc/27/28/70/609272870.db2.gz JDSKKAOSJRYQFY-DAXSKMNVSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400820 609272872 /nfs/dbraw/zinc/27/28/72/609272872.db2.gz JDSKKAOSJRYQFY-DAXSKMNVSA-N -1 3 378.285 3.801 20 30 GHEDHM Cc1ccsc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826315544 609309617 /nfs/dbraw/zinc/30/96/17/609309617.db2.gz MJGWYOMSAFGCDJ-FPLPWBNLSA-N -1 3 376.445 3.533 20 30 GHEDHM Cc1ccsc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826315544 609309618 /nfs/dbraw/zinc/30/96/18/609309618.db2.gz MJGWYOMSAFGCDJ-FPLPWBNLSA-N -1 3 376.445 3.533 20 30 GHEDHM CC(C)(C#N)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000824059056 609429352 /nfs/dbraw/zinc/42/93/52/609429352.db2.gz LWFHCHRSTKNGLF-UHFFFAOYSA-N -1 3 396.838 3.592 20 30 GHEDHM N#CCCCOc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826381617 609472408 /nfs/dbraw/zinc/47/24/08/609472408.db2.gz SDPYISCFBZKAEZ-UHFFFAOYSA-N -1 3 381.827 3.649 20 30 GHEDHM N#CCCCOc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826381617 609472413 /nfs/dbraw/zinc/47/24/13/609472413.db2.gz SDPYISCFBZKAEZ-UHFFFAOYSA-N -1 3 381.827 3.649 20 30 GHEDHM COC(=O)COc1c(C)cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1C ZINC000176605007 837461589 /nfs/dbraw/zinc/46/15/89/837461589.db2.gz CHUMZNARFJIMLQ-HNNXBMFYSA-N -1 3 386.473 3.925 20 30 GHEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000414375714 837489411 /nfs/dbraw/zinc/48/94/11/837489411.db2.gz RWXKGDAAAOYTLY-UHFFFAOYSA-N -1 3 378.425 3.656 20 30 GHEDHM N#CC(=C([O-])C=Cc1ccccc1OC(F)(F)F)c1nnc2n1CCCCC2 ZINC000255642132 835421804 /nfs/dbraw/zinc/42/18/04/835421804.db2.gz XUWQBNVLFZIZLZ-CFYYFVFUSA-N -1 3 390.365 3.793 20 30 GHEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000579877494 835849154 /nfs/dbraw/zinc/84/91/54/835849154.db2.gz MULWIXIUNKTNKQ-HZMBPMFUSA-N -1 3 391.718 3.853 20 30 GHEDHM N#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(OCc2ccccc2)cc1 ZINC000187713378 837912662 /nfs/dbraw/zinc/91/26/62/837912662.db2.gz XZRLXWGPMVJZSA-HXUWFJFHSA-N -1 3 383.411 3.532 20 30 GHEDHM COc1cc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc(Cl)c1[O-] ZINC000255119174 838109071 /nfs/dbraw/zinc/10/90/71/838109071.db2.gz NTAOJSNAQKPOSW-UQCOIBPSSA-N -1 3 387.863 3.911 20 30 GHEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C#N)CCCC2)n1 ZINC000178543312 838398687 /nfs/dbraw/zinc/39/86/87/838398687.db2.gz QMTHMJGDNHEMCP-UHFFFAOYSA-N -1 3 381.910 3.724 20 30 GHEDHM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1 ZINC000157113980 841138950 /nfs/dbraw/zinc/13/89/50/841138950.db2.gz CUPRFSLMYXOQOJ-UHFFFAOYSA-N -1 3 393.790 3.679 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC000178133572 842192611 /nfs/dbraw/zinc/19/26/11/842192611.db2.gz JFBNOGVLKBNCCH-HXUWFJFHSA-N -1 3 383.467 3.839 20 30 GHEDHM Cc1csc(N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2ccccc2)n1 ZINC000104894602 842779753 /nfs/dbraw/zinc/77/97/53/842779753.db2.gz CDZUXJNCVXGLGL-UHFFFAOYSA-N -1 3 392.484 3.926 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1 ZINC000730996700 861397430 /nfs/dbraw/zinc/39/74/30/861397430.db2.gz YZKNNOAUPJMMHM-UHFFFAOYSA-N -1 3 380.263 3.570 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000432641210 843343511 /nfs/dbraw/zinc/34/35/11/843343511.db2.gz DILIQAPMKTZLMA-UHFFFAOYSA-N -1 3 383.242 3.878 20 30 GHEDHM Cc1ccc(OCc2nc(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)cs2)cc1 ZINC000026253384 845518717 /nfs/dbraw/zinc/51/87/17/845518717.db2.gz UMDDGYCVCZAGJT-UHFFFAOYSA-N -1 3 397.382 3.998 20 30 GHEDHM Cc1ccc(OCc2nc(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)cs2)cc1 ZINC000026253384 845518725 /nfs/dbraw/zinc/51/87/25/845518725.db2.gz UMDDGYCVCZAGJT-UHFFFAOYSA-N -1 3 397.382 3.998 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000071849800 845609319 /nfs/dbraw/zinc/60/93/19/845609319.db2.gz HRURTXKVFRMENS-KRWDZBQOSA-N -1 3 377.488 3.623 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000280037595 846271845 /nfs/dbraw/zinc/27/18/45/846271845.db2.gz RVAWKKVLSFEJSQ-FUHWJXTLSA-N -1 3 381.451 3.800 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C ZINC000183873467 847468869 /nfs/dbraw/zinc/46/88/69/847468869.db2.gz WMMOQKCCIKJDRJ-MBSDFSHPSA-N -1 3 391.515 3.872 20 30 GHEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccccc1OC ZINC000155893553 849644492 /nfs/dbraw/zinc/64/44/92/849644492.db2.gz PVAUSAICYYIWLH-CYBMUJFWSA-N -1 3 383.477 3.797 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000487575598 850737052 /nfs/dbraw/zinc/73/70/52/850737052.db2.gz PJERDQSYGKNLMP-HXUWFJFHSA-N -1 3 376.460 3.760 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cc(C)ccc2F)CCCC1 ZINC000329737222 862276038 /nfs/dbraw/zinc/27/60/38/862276038.db2.gz LYSAHMDZQXMFHQ-UHFFFAOYSA-N -1 3 395.456 3.618 20 30 GHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426823783 852435994 /nfs/dbraw/zinc/43/59/94/852435994.db2.gz KDLANMSWNNGMNW-QGZVFWFLSA-N -1 3 376.250 3.929 20 30 GHEDHM CCc1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436994510 852585377 /nfs/dbraw/zinc/58/53/77/852585377.db2.gz DGUUJGOZXIWRAZ-IBGZPJMESA-N -1 3 383.879 3.631 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000489844326 852604534 /nfs/dbraw/zinc/60/45/34/852604534.db2.gz LIPKWKCBOUTORA-HNNXBMFYSA-N -1 3 385.349 3.539 20 30 GHEDHM N#Cc1nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1Cl ZINC000067368509 854448589 /nfs/dbraw/zinc/44/85/89/854448589.db2.gz YZMHPLXSFMAIBW-UHFFFAOYSA-N -1 3 391.258 3.821 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1F ZINC000045269888 854459629 /nfs/dbraw/zinc/45/96/29/854459629.db2.gz VDURVRLGGUACOD-UHFFFAOYSA-N -1 3 376.453 3.666 20 30 GHEDHM COC(=O)COc1c(C)cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1C ZINC000592398817 856805923 /nfs/dbraw/zinc/80/59/23/856805923.db2.gz JUEVAOXKGFRSNP-HNNXBMFYSA-N -1 3 384.457 3.679 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000253542030 857019901 /nfs/dbraw/zinc/01/99/01/857019901.db2.gz UGDZRPLDYZEKQC-SRVWHDFXSA-N -1 3 393.487 3.585 20 30 GHEDHM Cc1ccc(C(C)(C)CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000172773605 857133519 /nfs/dbraw/zinc/13/35/19/857133519.db2.gz BHZPUDNLFQXMMD-UHFFFAOYSA-N -1 3 379.504 3.541 20 30 GHEDHM CC(C)CCN(CCC#N)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112635456 857170218 /nfs/dbraw/zinc/17/02/18/857170218.db2.gz GNCAZYQCZIPDGX-UHFFFAOYSA-N -1 3 390.281 3.693 20 30 GHEDHM COc1ccc(C=NNCCCOc2ccccc2)c(Br)c1[O-] ZINC000761011018 857262777 /nfs/dbraw/zinc/26/27/77/857262777.db2.gz GWKWHJSGMZPURR-UHFFFAOYSA-N -1 3 379.254 3.556 20 30 GHEDHM C=CC[C@@H](CC)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000281286988 862949577 /nfs/dbraw/zinc/94/95/77/862949577.db2.gz IJJGFDZXKUARGZ-OAHLLOKOSA-N -1 3 379.888 3.760 20 30 GHEDHM N#Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC001212483451 857817374 /nfs/dbraw/zinc/81/73/74/857817374.db2.gz VVXAQJLBBNIOQR-UHFFFAOYSA-N -1 3 388.798 3.751 20 30 GHEDHM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000181673512 862966557 /nfs/dbraw/zinc/96/65/57/862966557.db2.gz GFEGYYSYRRYNGY-UHFFFAOYSA-N -1 3 380.416 3.932 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000079116894 858398117 /nfs/dbraw/zinc/39/81/17/858398117.db2.gz OBYYXLUPYNEDGS-UHFFFAOYSA-N -1 3 378.457 3.558 20 30 GHEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000443222587 858483718 /nfs/dbraw/zinc/48/37/18/858483718.db2.gz IVVVAXDNUJMGCJ-UHFFFAOYSA-N -1 3 391.718 3.711 20 30 GHEDHM C=CC[C@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000595658606 858640648 /nfs/dbraw/zinc/64/06/48/858640648.db2.gz GCBGNCBELYHIIM-KBPBESRZSA-N -1 3 389.521 3.819 20 30 GHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc2[C@H](C)C1 ZINC000593166446 858866440 /nfs/dbraw/zinc/86/64/40/858866440.db2.gz XIBCQCYRPUEEIN-NXEZZACHSA-N -1 3 378.475 3.554 20 30 GHEDHM CCc1cc(N2CCC[C@H](/N=C/c3cc(Br)ccc3[O-])C2)ncn1 ZINC000112497331 859151592 /nfs/dbraw/zinc/15/15/92/859151592.db2.gz VSSJVQDNIIBYCF-UWSDUSPXSA-N -1 3 389.297 3.595 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(=O)[n-]1 ZINC000068824358 859214858 /nfs/dbraw/zinc/21/48/58/859214858.db2.gz DNTJZAHCVPGPSG-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1Cc1ccncc1 ZINC000483242033 859235421 /nfs/dbraw/zinc/23/54/21/859235421.db2.gz XAABZCOFTSGMGN-IBGZPJMESA-N -1 3 381.439 3.982 20 30 GHEDHM Cc1csc(C(C#N)=C([O-])c2cccc(I)c2C)n1 ZINC000161160835 859658324 /nfs/dbraw/zinc/65/83/24/859658324.db2.gz ZPBJLIALMGBYSP-NSHDSACASA-N -1 3 382.226 3.855 20 30 GHEDHM O=C(c1cccnc1)N1CCC(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000904170009 860200825 /nfs/dbraw/zinc/20/08/25/860200825.db2.gz CCPHKANBIIHIRZ-UHFFFAOYSA-N -1 3 389.455 3.505 20 30 GHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(I)c2)n1 ZINC000102816528 860868146 /nfs/dbraw/zinc/86/81/46/860868146.db2.gz FUAVGEDTYPSIBH-NSHDSACASA-N -1 3 382.226 3.855 20 30 GHEDHM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000487457005 863297763 /nfs/dbraw/zinc/29/77/63/863297763.db2.gz WADRMVFVDLAVHV-UHFFFAOYSA-N -1 3 379.812 3.750 20 30 GHEDHM C=CCC[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281674869 863308439 /nfs/dbraw/zinc/30/84/39/863308439.db2.gz KCQSJPUSUBYRKJ-QGZVFWFLSA-N -1 3 382.426 3.654 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(F)cc3)n2)c1 ZINC000127082530 863547766 /nfs/dbraw/zinc/54/77/66/863547766.db2.gz LQBYHKPKKHEAPR-MRXNPFEDSA-N -1 3 395.415 3.919 20 30 GHEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000481033287 865686959 /nfs/dbraw/zinc/68/69/59/865686959.db2.gz GZWZAWJTKWWCLU-UHFFFAOYSA-N -1 3 395.868 3.580 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(Cl)c1Br ZINC000793121542 881929008 /nfs/dbraw/zinc/92/90/08/881929008.db2.gz DCHUPZMJCJNTHR-LLVKDONJSA-N -1 3 392.640 3.767 20 30 GHEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766259463 866124978 /nfs/dbraw/zinc/12/49/78/866124978.db2.gz ZTYZVDXGPSAJGZ-CYBMUJFWSA-N -1 3 394.408 3.740 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C(C)C)c2)ccc1F ZINC000920280821 881988324 /nfs/dbraw/zinc/98/83/24/881988324.db2.gz TXAXDVXXWUMGRH-UHFFFAOYSA-N -1 3 390.480 3.690 20 30 GHEDHM N#Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Oc1ccccc1 ZINC000445207277 867956316 /nfs/dbraw/zinc/95/63/16/867956316.db2.gz ASYGQAGCXPIEPG-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM CCCOc1cccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000544517194 882186071 /nfs/dbraw/zinc/18/60/71/882186071.db2.gz UCYJBZYMIOBZAX-UHFFFAOYSA-N -1 3 378.432 3.900 20 30 GHEDHM CCOc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000016141943 868842066 /nfs/dbraw/zinc/84/20/66/868842066.db2.gz DTWDNHBWRGRYCP-NRFANRHFSA-N -1 3 393.487 3.558 20 30 GHEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccccc3OCC#N)nc(=O)c2c1C ZINC000920633806 882245428 /nfs/dbraw/zinc/24/54/28/882245428.db2.gz KMUSIIBUQHIADY-LLVKDONJSA-N -1 3 383.429 3.834 20 30 GHEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)c1Cl ZINC000462411168 869391323 /nfs/dbraw/zinc/39/13/23/869391323.db2.gz WQMUDQQAFKIWTF-UHFFFAOYSA-N -1 3 385.272 3.531 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Oc2ccccc2)ccn1 ZINC000745948255 869900446 /nfs/dbraw/zinc/90/04/46/869900446.db2.gz YECLVMKBQRCWRQ-KRWDZBQOSA-N -1 3 387.395 3.844 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccccc3Br)CCC2)c1[O-] ZINC000793667483 882357308 /nfs/dbraw/zinc/35/73/08/882357308.db2.gz JIIMQWGAJOCZDB-FBHDLOMBSA-N -1 3 389.293 3.891 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1ccc(C(C)(C)C)cc1[O-])CCO2 ZINC001192326680 870289713 /nfs/dbraw/zinc/28/97/13/870289713.db2.gz OTNWGBBIEDKCEG-WZONZLPQSA-N -1 3 387.520 3.904 20 30 GHEDHM Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1[N-]S(=O)(=O)CC#N ZINC001192978945 870829263 /nfs/dbraw/zinc/82/92/63/870829263.db2.gz PXUQULGHAAOPQW-UHFFFAOYSA-N -1 3 378.269 3.550 20 30 GHEDHM N#CC(=C([O-])c1cnn(Cc2ccccc2Cl)c1)c1nc2ccccc2[nH]1 ZINC000041495319 871737672 /nfs/dbraw/zinc/73/76/72/871737672.db2.gz RWZXKYWHYSFZPF-OAHLLOKOSA-N -1 3 375.819 3.951 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2F)c1 ZINC000526115231 872154442 /nfs/dbraw/zinc/15/44/42/872154442.db2.gz LQBOWTIWQXGLIE-UHFFFAOYSA-N -1 3 387.374 3.800 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1Br ZINC001197310997 873699473 /nfs/dbraw/zinc/69/94/73/873699473.db2.gz PRCBBWAPIOSRGU-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c(F)c1F ZINC001197311898 873700547 /nfs/dbraw/zinc/70/05/47/873700547.db2.gz NOAICEHMUQQHTF-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM N#CC(=C([O-])c1ccnc(OCC(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464476452 873965859 /nfs/dbraw/zinc/96/58/59/873965859.db2.gz QCBWEBQHZULMLU-NSHDSACASA-N -1 3 389.255 3.927 20 30 GHEDHM CCCCCCCOc1cccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000769808763 874300926 /nfs/dbraw/zinc/30/09/26/874300926.db2.gz OHVJPUZRYKPAJA-UHFFFAOYSA-N -1 3 382.468 3.864 20 30 GHEDHM CN(Cc1cccc(C#N)c1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192622301 882823108 /nfs/dbraw/zinc/82/31/08/882823108.db2.gz CIPBGJKHBOIQJG-UHFFFAOYSA-N -1 3 376.441 3.748 20 30 GHEDHM C#C[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccc(Cl)cc1F ZINC000804419718 882826895 /nfs/dbraw/zinc/82/68/95/882826895.db2.gz UODLJNAEOOAKFH-AWEZNQCLSA-N -1 3 375.831 3.685 20 30 GHEDHM CCCC[C@@H](CC)COCc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC001199217122 874856572 /nfs/dbraw/zinc/85/65/72/874856572.db2.gz LLOUMMQEHHJIJK-VQIMIIECSA-N -1 3 391.512 3.921 20 30 GHEDHM CCN1CCC([N-]C(=O)C(F)(F)c2c(F)cccc2F)(C(F)(F)F)CC1 ZINC001273829128 875315954 /nfs/dbraw/zinc/31/59/54/875315954.db2.gz RKJJVZDMSBWQME-UHFFFAOYSA-N -1 3 386.311 3.590 20 30 GHEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000771956670 875574867 /nfs/dbraw/zinc/57/48/67/875574867.db2.gz XRHGFUOEBJPRIN-QMMMGPOBSA-N -1 3 376.203 3.718 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2F)cc1C#N ZINC001201322491 875633562 /nfs/dbraw/zinc/63/35/62/875633562.db2.gz LXNCXHRTIYLUKV-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCCCC3)c2)c1 ZINC000772643829 876059892 /nfs/dbraw/zinc/05/98/92/876059892.db2.gz FZSNSXBDSLXLPU-IBGZPJMESA-N -1 3 393.443 3.763 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC000443961947 877062932 /nfs/dbraw/zinc/06/29/32/877062932.db2.gz IIVNHMYLHBFUMS-CQSZACIVSA-N -1 3 392.761 3.933 20 30 GHEDHM CCOC(=O)Nc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1C#N ZINC000787142840 877191864 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GHEDHM CCc1cccc(F)c1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000794470949 886760991 /nfs/dbraw/zinc/76/09/91/886760991.db2.gz NCARYIPOWHYHSE-QGZVFWFLSA-N -1 3 384.436 3.663 20 30 GHEDHM COc1cc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c(F)cc1C#N ZINC001131493167 886888139 /nfs/dbraw/zinc/88/81/39/886888139.db2.gz QGVFWNYBHAQQRV-UHFFFAOYSA-N -1 3 379.347 3.548 20 30 GHEDHM O=C(N[C@H]1C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)C1)OCc1ccccc1 ZINC001184283861 913133239 /nfs/dbraw/zinc/13/32/39/913133239.db2.gz TXGPYEJKASSOQO-CALCHBBNSA-N -1 3 388.851 3.763 20 30 GHEDHM N#CCCC[C@@H]([N-]S(=O)(=O)c1occc1Br)c1ccccc1 ZINC000915866664 887736440 /nfs/dbraw/zinc/73/64/40/887736440.db2.gz VGHGOSWZSMXOEX-CQSZACIVSA-N -1 3 383.267 3.756 20 30 GHEDHM CCOc1cc(C=NNC(=S)Nc2ccccc2OC)cc(Cl)c1[O-] ZINC000915927998 888562857 /nfs/dbraw/zinc/56/28/57/888562857.db2.gz MMQDFQKIXOQORK-UHFFFAOYSA-N -1 3 379.869 3.773 20 30 GHEDHM Cc1ccc(NC(=O)c2ccccc2)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000915981787 888597776 /nfs/dbraw/zinc/59/77/76/888597776.db2.gz HCONIEUIYSBYNH-UHFFFAOYSA-N -1 3 375.428 3.899 20 30 GHEDHM CCOc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)cc(Cl)c1[O-] ZINC000916310979 888912600 /nfs/dbraw/zinc/91/26/00/888912600.db2.gz UGYMNNCUMUQRAP-UHFFFAOYSA-N -1 3 377.853 3.715 20 30 GHEDHM CCCOc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000916321146 888922424 /nfs/dbraw/zinc/92/24/24/888922424.db2.gz SLBLGGSTNQSRLW-GOSISDBHSA-N -1 3 396.472 3.750 20 30 GHEDHM CSc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000916320654 888922466 /nfs/dbraw/zinc/92/24/66/888922466.db2.gz FNGOOXCZGMQJQU-MRXNPFEDSA-N -1 3 384.486 3.683 20 30 GHEDHM COc1ccccc1C=CC=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916320621 888922604 /nfs/dbraw/zinc/92/26/04/888922604.db2.gz DFMABRFBYDSGIE-KXZUAZIHSA-N -1 3 394.456 3.635 20 30 GHEDHM Cc1c(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000794935011 888955667 /nfs/dbraw/zinc/95/56/67/888955667.db2.gz OXXDWZXQMFNXPM-HYXAFXHYSA-N -1 3 378.287 4.000 20 30 GHEDHM N#CCC1(OC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000810858577 888961666 /nfs/dbraw/zinc/96/16/66/888961666.db2.gz CXWGODPRYOSYDG-UHFFFAOYSA-N -1 3 388.420 3.620 20 30 GHEDHM Cc1ccc(-c2noc(CCCOC(=O)c3cc([O-])cc(C#N)c3)n2)cc1F ZINC000811187973 889273274 /nfs/dbraw/zinc/27/32/74/889273274.db2.gz RJUHLPLXJBULMY-UHFFFAOYSA-N -1 3 381.363 3.551 20 30 GHEDHM N#Cc1ccc(NC(=O)Nc2cc(I)ccc2[O-])cc1 ZINC001184756588 913391935 /nfs/dbraw/zinc/39/19/35/913391935.db2.gz KEUNDTRMCHZZQH-UHFFFAOYSA-N -1 3 379.157 3.512 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1oc2ccccc2c1COC ZINC000916925423 890397242 /nfs/dbraw/zinc/39/72/42/890397242.db2.gz JSFRNZAEAJSJBX-OAHLLOKOSA-N -1 3 392.411 3.939 20 30 GHEDHM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000916907734 890404860 /nfs/dbraw/zinc/40/48/60/890404860.db2.gz WXDSXLJWTADECS-NSHDSACASA-N -1 3 389.820 3.931 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(-c2cccs2)oc1C ZINC000916933237 890425800 /nfs/dbraw/zinc/42/58/00/890425800.db2.gz AMXNNWMNMVJRGI-LBPRGKRZSA-N -1 3 381.413 3.681 20 30 GHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1csc(-c2ccccc2F)n1 ZINC000812226767 890455268 /nfs/dbraw/zinc/45/52/68/890455268.db2.gz KBPIFZGMXJFSIW-UHFFFAOYSA-N -1 3 389.477 3.793 20 30 GHEDHM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC001184818238 913457761 /nfs/dbraw/zinc/45/77/61/913457761.db2.gz ZEALABZTJIBYIE-UHFFFAOYSA-N -1 3 392.702 3.654 20 30 GHEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(F)cc1 ZINC000812315667 890532724 /nfs/dbraw/zinc/53/27/24/890532724.db2.gz XZXSNOJPBBAMFP-GOSISDBHSA-N -1 3 376.391 3.793 20 30 GHEDHM O=C1C[C@H](/N=C/c2cc(Br)ccc2[O-])CN1c1ccccc1F ZINC000812444901 890638128 /nfs/dbraw/zinc/63/81/28/890638128.db2.gz ILZYQMNNIMPPPE-QOJWJBQSSA-N -1 3 377.213 3.518 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC(C)(C)C#N)c2)cc1 ZINC000497274056 890736479 /nfs/dbraw/zinc/73/64/79/890736479.db2.gz AHTNZDDBDABDSF-UHFFFAOYSA-N -1 3 399.516 3.726 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2c1=O ZINC000917047230 890770176 /nfs/dbraw/zinc/77/01/76/890770176.db2.gz ULQWMBJZJGLEOL-CYBMUJFWSA-N -1 3 394.843 3.687 20 30 GHEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000161740548 891806528 /nfs/dbraw/zinc/80/65/28/891806528.db2.gz CZHCVMSMRCCFFM-UHFFFAOYSA-N -1 3 394.406 3.535 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc(Br)c3c(c2)OCCO3)ccc1[O-] ZINC000917516703 892124493 /nfs/dbraw/zinc/12/44/93/892124493.db2.gz DJDBSMHLCPNIMV-RQOWECAXSA-N -1 3 391.217 3.831 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1[O-] ZINC000918152720 893277923 /nfs/dbraw/zinc/27/79/23/893277923.db2.gz KXUSFZMDNFYRQS-UHFFFAOYSA-N -1 3 385.807 3.837 20 30 GHEDHM C[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000825933631 893465074 /nfs/dbraw/zinc/46/50/74/893465074.db2.gz BSTDGPDXHXXVNX-ZQIUZPCESA-N -1 3 379.426 3.519 20 30 GHEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000041513253 896353698 /nfs/dbraw/zinc/35/36/98/896353698.db2.gz GHNUEPHNLDIXNI-OAHLLOKOSA-N -1 3 389.436 3.940 20 30 GHEDHM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)(C)C#N ZINC000131232809 897373886 /nfs/dbraw/zinc/37/38/86/897373886.db2.gz IPBPHSXFNCKWKV-ZDUSSCGKSA-N -1 3 390.436 3.722 20 30 GHEDHM N#CCCCCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822805686 898635508 /nfs/dbraw/zinc/63/55/08/898635508.db2.gz AUUNPPRXKQPBNC-UHFFFAOYSA-N -1 3 379.445 3.869 20 30 GHEDHM N#CCCCCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822805686 898635513 /nfs/dbraw/zinc/63/55/13/898635513.db2.gz AUUNPPRXKQPBNC-UHFFFAOYSA-N -1 3 379.445 3.869 20 30 GHEDHM N#Cc1c(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc2ccccn21 ZINC000826383941 899010244 /nfs/dbraw/zinc/01/02/44/899010244.db2.gz YQZRDCGKAGEATA-UHFFFAOYSA-N -1 3 392.426 3.665 20 30 GHEDHM N#Cc1c(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc2ccccn21 ZINC000826383941 899010257 /nfs/dbraw/zinc/01/02/57/899010257.db2.gz YQZRDCGKAGEATA-UHFFFAOYSA-N -1 3 392.426 3.665 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1OC(C)C ZINC000118243512 899426826 /nfs/dbraw/zinc/42/68/26/899426826.db2.gz NUSDUYJERVBCGB-UHFFFAOYSA-N -1 3 387.867 3.875 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000066671942 901013142 /nfs/dbraw/zinc/01/31/42/901013142.db2.gz OMDIOYJUBFBBJH-UHFFFAOYSA-N -1 3 397.523 3.684 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000845441724 902154589 /nfs/dbraw/zinc/15/45/89/902154589.db2.gz ICBZQQVEBLWILT-ZDUSSCGKSA-N -1 3 399.834 3.651 20 30 GHEDHM CC(=O)c1cccc(O[C@H](C)C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1 ZINC000845836721 902447000 /nfs/dbraw/zinc/44/70/00/902447000.db2.gz BVHDBDXIRUXCPG-UZLBHIALSA-N -1 3 375.424 3.666 20 30 GHEDHM CC(=O)c1cccc(O[C@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845836721 902447011 /nfs/dbraw/zinc/44/70/11/902447011.db2.gz BVHDBDXIRUXCPG-UZLBHIALSA-N -1 3 375.424 3.666 20 30 GHEDHM N#Cc1ccc(OC2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1Cl ZINC001144628702 902531483 /nfs/dbraw/zinc/53/14/83/902531483.db2.gz CFAKZSHYRUTCSN-UHFFFAOYSA-N -1 3 388.826 3.669 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3cc(F)c([O-])cc3F)C2)CC1 ZINC001144646608 902551566 /nfs/dbraw/zinc/55/15/66/902551566.db2.gz DJQPMDJHFCKRGY-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@]1(F)Cl ZINC000845984741 902565493 /nfs/dbraw/zinc/56/54/93/902565493.db2.gz YRTXSKYNFLOUIJ-CHWSQXEVSA-N -1 3 384.782 3.560 20 30 GHEDHM CCOc1cc(-c2noc([C@H](N)CCCCC#N)n2)cc(Br)c1[O-] ZINC000846771619 903211385 /nfs/dbraw/zinc/21/13/85/903211385.db2.gz YEXSJWAFNBMYQF-GFCCVEGCSA-N -1 3 395.257 3.687 20 30 GHEDHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000265293847 903780435 /nfs/dbraw/zinc/78/04/35/903780435.db2.gz RYOGLFGVOYUJPN-KRWDZBQOSA-N -1 3 385.895 3.999 20 30 GHEDHM C=CCc1c(F)c(F)c(C(=O)[N-]C(=N)c2cnc3ccc(F)cn23)c(F)c1F ZINC001186740066 914757072 /nfs/dbraw/zinc/75/70/72/914757072.db2.gz YSNWVCPMWHYZFN-UHFFFAOYSA-N -1 3 394.303 3.514 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)c(Cl)c1)c1ccccc1 ZINC001186752579 914764307 /nfs/dbraw/zinc/76/43/07/914764307.db2.gz PJQDXOBHORBNNJ-ZDUSSCGKSA-N -1 3 390.770 3.782 20 30 GHEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000151461887 904138640 /nfs/dbraw/zinc/13/86/40/904138640.db2.gz NCAMHBOXXMDRDU-CQSZACIVSA-N -1 3 389.424 3.637 20 30 GHEDHM CN(C(=O)C1CC1)c1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000048829343 904200642 /nfs/dbraw/zinc/20/06/42/904200642.db2.gz SSIASHHYQODYLH-HNNXBMFYSA-N -1 3 387.361 3.963 20 30 GHEDHM CC[C@H](CC#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000188037659 904862356 /nfs/dbraw/zinc/86/23/56/904862356.db2.gz MAGURRWSZDFOJC-CQSZACIVSA-N -1 3 390.436 3.784 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(O[C@@H](C)CC)c1 ZINC000777300977 905669111 /nfs/dbraw/zinc/66/91/11/905669111.db2.gz BJVVAPODVMSPPF-GOEBONIOSA-N -1 3 381.432 3.619 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000176928544 905989302 /nfs/dbraw/zinc/98/93/02/905989302.db2.gz OARBCPDVCZABRW-UHFFFAOYSA-N -1 3 393.821 3.748 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000176954877 905996274 /nfs/dbraw/zinc/99/62/74/905996274.db2.gz VHDHDGYBBJRRIW-UHFFFAOYSA-N -1 3 391.393 3.930 20 30 GHEDHM CCOC(=O)C(=Cc1cccc(C#N)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000192927482 908021125 /nfs/dbraw/zinc/02/11/25/908021125.db2.gz HNBYECBTKIMJBQ-DHDCSXOGSA-N -1 3 379.441 3.577 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000193395036 908329982 /nfs/dbraw/zinc/32/99/82/908329982.db2.gz PWXFMKFZSMJFKW-AWEZNQCLSA-N -1 3 387.779 3.608 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cncc(Br)c1 ZINC000193473529 908418027 /nfs/dbraw/zinc/41/80/27/908418027.db2.gz XXNRSTOUIRSBAB-NSHDSACASA-N -1 3 396.603 3.598 20 30 GHEDHM C=C1CCC(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC001177327047 908527262 /nfs/dbraw/zinc/52/72/62/908527262.db2.gz PMTYJSJHXGRBIA-UHFFFAOYSA-N -1 3 375.266 3.767 20 30 GHEDHM C[C@H]1CCC[C@](C#N)([N-]C(=O)C(F)(F)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000773977044 911184814 /nfs/dbraw/zinc/18/48/14/911184814.db2.gz WTLIBVZSGOIFQB-LIRRHRJNSA-N -1 3 399.482 3.857 20 30 GHEDHM COc1cc(/C=C2\CC(=O)Nc3ccccc3C2=O)cc(Br)c1[O-] ZINC000774145534 911444883 /nfs/dbraw/zinc/44/48/83/911444883.db2.gz OYMPASCFYBJASQ-IZZDOVSWSA-N -1 3 388.217 3.772 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(C(F)(F)F)cc32)c1 ZINC001190676356 917506493 /nfs/dbraw/zinc/50/64/93/917506493.db2.gz BAGCHLSPGOBRKB-OAHLLOKOSA-N -1 3 384.354 3.682 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000115450584 919452448 /nfs/dbraw/zinc/45/24/48/919452448.db2.gz TWOJPBPQYAGGKE-HXUWFJFHSA-N -1 3 385.895 3.963 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1c(C)noc1C ZINC000119274593 919615223 /nfs/dbraw/zinc/61/52/23/919615223.db2.gz HWYGGWOGAXIHTH-ZDUSSCGKSA-N -1 3 387.383 3.612 20 30 GHEDHM CSCC[C@@H](NC(=O)c1ccco1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901367400 921042484 /nfs/dbraw/zinc/04/24/84/921042484.db2.gz DDPRGDCCLOTMHL-GOSISDBHSA-N -1 3 398.484 3.702 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1ccc(Cl)cc1Cl ZINC001137353982 924951784 /nfs/dbraw/zinc/95/17/84/924951784.db2.gz PLXJXYAYAQIZFN-HNNXBMFYSA-N -1 3 385.197 3.807 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc2ccccc2c1[O-] ZINC000726424881 926656882 /nfs/dbraw/zinc/65/68/82/926656882.db2.gz NRIDNPZWRDFELE-UHFFFAOYSA-N -1 3 395.484 3.822 20 30 GHEDHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3cccc(F)c3C#N)oc21 ZINC000750980960 927965322 /nfs/dbraw/zinc/96/53/22/927965322.db2.gz XPMCJDBMQFSHCV-LBPRGKRZSA-N -1 3 388.420 3.882 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc2ccccc2s1 ZINC000751105246 928031317 /nfs/dbraw/zinc/03/13/17/928031317.db2.gz SLMJHFMMEZKTMK-SNVBAGLBSA-N -1 3 377.878 3.861 20 30 GHEDHM Cn1ncc2c1nc(N=NCc1ccc(Sc3ccccc3)cc1)[n-]c2=O ZINC000753932534 929598940 /nfs/dbraw/zinc/59/89/40/929598940.db2.gz QGLIMAIFQJOFKV-UHFFFAOYSA-N -1 3 376.445 3.666 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCCOc2ccc(F)cc2)no1 ZINC000546351470 930079325 /nfs/dbraw/zinc/07/93/25/930079325.db2.gz MBYMOXOMAXOKQB-UHFFFAOYSA-N -1 3 396.422 3.595 20 30 GHEDHM C#CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000780635142 930564536 /nfs/dbraw/zinc/56/45/36/930564536.db2.gz VNPAZVMJFSHXIP-JOCHJYFZSA-N -1 3 390.483 3.658 20 30 GHEDHM O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)s1 ZINC000782223069 931127586 /nfs/dbraw/zinc/12/75/86/931127586.db2.gz KIZONOLHRPBEEG-UHFFFAOYSA-N -1 3 377.476 3.711 20 30 GHEDHM CC[C@@H](NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1cccc(C#N)c1[O-] ZINC000925173701 931689422 /nfs/dbraw/zinc/68/94/22/931689422.db2.gz ZFSLZMOXBLKFFI-UONOGXRCSA-N -1 3 379.386 3.536 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc2c1CCC(C)(C)O2 ZINC000799410896 932992893 /nfs/dbraw/zinc/99/28/93/932992893.db2.gz DOTVGDHFRQXZTN-UHFFFAOYSA-N -1 3 380.444 3.918 20 30 GHEDHM N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Br)cc3[O-])CC2)c1 ZINC000560425812 933252060 /nfs/dbraw/zinc/25/20/60/933252060.db2.gz DQCXQWKMVXZUHQ-UHFFFAOYSA-N -1 3 375.197 3.836 20 30 GHEDHM C#CCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000931616073 934645138 /nfs/dbraw/zinc/64/51/38/934645138.db2.gz NPNMFBNMCYJUKA-UHFFFAOYSA-N -1 3 385.489 3.639 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C)(COC)CC1 ZINC001121572773 934701495 /nfs/dbraw/zinc/70/14/95/934701495.db2.gz QCMRXQFQNIRKDO-UHFFFAOYSA-N -1 3 399.520 3.699 20 30 GHEDHM C=CCC[C@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001122080106 934817164 /nfs/dbraw/zinc/81/71/64/934817164.db2.gz YEYWRCOHYXEHNM-SFHVURJKSA-N -1 3 390.491 3.732 20 30 GHEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCC(F)(F)CC1 ZINC001122617497 934922367 /nfs/dbraw/zinc/92/23/67/934922367.db2.gz YRSPYYLVBAZJSD-UHFFFAOYSA-N -1 3 390.438 3.520 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001123233572 935125161 /nfs/dbraw/zinc/12/51/61/935125161.db2.gz LMQRSGOOZKADRR-GFCCVEGCSA-N -1 3 376.819 3.687 20 30 GHEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC001573281409 946677399 /nfs/dbraw/zinc/67/73/99/946677399.db2.gz YJIONXIGTJPTGQ-OAHLLOKOSA-N -1 3 388.431 3.536 20 30 GHEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC001573281409 946677410 /nfs/dbraw/zinc/67/74/10/946677410.db2.gz YJIONXIGTJPTGQ-OAHLLOKOSA-N -1 3 388.431 3.536 20 30 GHEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001573309100 947191208 /nfs/dbraw/zinc/19/12/08/947191208.db2.gz CNWACJJUNIEMCV-OAQYLSRUSA-N -1 3 393.447 3.826 20 30 GHEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001573309100 947191216 /nfs/dbraw/zinc/19/12/16/947191216.db2.gz CNWACJJUNIEMCV-OAQYLSRUSA-N -1 3 393.447 3.826 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1)c1ccccc1 ZINC001573319136 947325410 /nfs/dbraw/zinc/32/54/10/947325410.db2.gz UVMDVUWTBCQOPO-LBPRGKRZSA-N -1 3 398.264 3.928 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1)c1ccccc1 ZINC001573319136 947325425 /nfs/dbraw/zinc/32/54/25/947325425.db2.gz UVMDVUWTBCQOPO-LBPRGKRZSA-N -1 3 398.264 3.928 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)C(C)C ZINC001573334825 947464228 /nfs/dbraw/zinc/46/42/28/947464228.db2.gz INDODNPPCXXRQA-UHFFFAOYSA-N -1 3 380.500 3.716 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)C(C)C ZINC001573334825 947464234 /nfs/dbraw/zinc/46/42/34/947464234.db2.gz INDODNPPCXXRQA-UHFFFAOYSA-N -1 3 380.500 3.716 20 30 GHEDHM C=CCCCN(CC)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001573335153 947472737 /nfs/dbraw/zinc/47/27/37/947472737.db2.gz MUFPUTFWANEFSQ-UHFFFAOYSA-N -1 3 393.451 3.874 20 30 GHEDHM C=CCCCN(CC)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001573335153 947472741 /nfs/dbraw/zinc/47/27/41/947472741.db2.gz MUFPUTFWANEFSQ-UHFFFAOYSA-N -1 3 393.451 3.874 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccccc1SCC ZINC001573342105 947540141 /nfs/dbraw/zinc/54/01/41/947540141.db2.gz UBNHCJUVYRLTCF-UHFFFAOYSA-N -1 3 393.516 3.736 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccccc1SCC ZINC001573342105 947540149 /nfs/dbraw/zinc/54/01/49/947540149.db2.gz UBNHCJUVYRLTCF-UHFFFAOYSA-N -1 3 393.516 3.736 20 30 GHEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471095372 1016951874 /nfs/dbraw/zinc/95/18/74/1016951874.db2.gz MPRQLVULLUCCCV-PRHODGIISA-N -1 3 390.274 3.569 20 30 GHEDHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000779196979 1020498788 /nfs/dbraw/zinc/49/87/88/1020498788.db2.gz KFKWYRUJXORCJS-LBPRGKRZSA-N -1 3 392.864 3.826 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccnc(SC)c1 ZINC000779197605 1020502611 /nfs/dbraw/zinc/50/26/11/1020502611.db2.gz YGJPZEJEIUYUOC-GFCCVEGCSA-N -1 3 389.864 3.735 20 30 GHEDHM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C ZINC000194871864 1020968192 /nfs/dbraw/zinc/96/81/92/1020968192.db2.gz AFCWJSVKKFEZDD-HNNXBMFYSA-N -1 3 385.427 3.566 20 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1023292620 /nfs/dbraw/zinc/29/26/20/1023292620.db2.gz MIOMEPKIAHNSCP-UHFFFAOYSA-N -1 3 380.351 3.562 20 30 GHEDHM CCn1nc(C)c(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000755683882 1023335263 /nfs/dbraw/zinc/33/52/63/1023335263.db2.gz VKAJRIVRDVYWCQ-UHFFFAOYSA-N -1 3 397.504 3.767 20 30 GHEDHM CCSc1ccccc1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000830924999 1024249253 /nfs/dbraw/zinc/24/92/53/1024249253.db2.gz DLIMLTPOULWXLF-UHFFFAOYSA-N -1 3 383.517 3.679 20 30 GHEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1 ZINC001141380718 1024789122 /nfs/dbraw/zinc/78/91/22/1024789122.db2.gz ZWZOZQZQSSBQND-AWEZNQCLSA-N -1 3 397.283 3.865 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H](c2ccccc2)c2cccnn2)n1 ZINC001163102579 1026042530 /nfs/dbraw/zinc/04/25/30/1026042530.db2.gz PQTCPUPIZRIRPT-DGURAOSJSA-N -1 3 386.868 3.652 20 30 GHEDHM C=CCOc1ccc(-c2noc(-c3cccc(C(=O)[N-]C(C)=O)c3C)n2)c(F)c1 ZINC001216962452 1030035810 /nfs/dbraw/zinc/03/58/10/1030035810.db2.gz SACIXHJEALCVJF-UHFFFAOYSA-N -1 3 395.390 3.692 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3ccc([O-])c(C#N)c3)sc2C1 ZINC001151503757 1030928436 /nfs/dbraw/zinc/92/84/36/1030928436.db2.gz KMIHZTNXHPUGBO-UHFFFAOYSA-N -1 3 399.472 3.871 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC001151709634 1030979024 /nfs/dbraw/zinc/97/90/24/1030979024.db2.gz VKIZJNMEOCYDOC-SJORKVTESA-N -1 3 378.325 3.575 20 30 GHEDHM N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)cc1Cl ZINC001153462326 1031603468 /nfs/dbraw/zinc/60/34/68/1031603468.db2.gz VUAMIWPKPRZUAF-NSHDSACASA-N -1 3 390.226 3.562 20 30 GHEDHM COCc1cc(OC(c2ccc(C#N)cc2)c2ccc(C#N)cc2)[n-]c(=S)n1 ZINC001225932236 1031701295 /nfs/dbraw/zinc/70/12/95/1031701295.db2.gz GFVORLXDVJIJAO-UHFFFAOYSA-N -1 3 388.452 3.823 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3ccc(F)cc3n2C)c(C)c1[O-] ZINC001153847904 1031768563 /nfs/dbraw/zinc/76/85/63/1031768563.db2.gz BOZDMRANZIYTGK-UHFFFAOYSA-N -1 3 395.390 3.632 20 30 GHEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154120629 1031937308 /nfs/dbraw/zinc/93/73/08/1031937308.db2.gz PAFDCCDLHRUHJO-CQSZACIVSA-N -1 3 378.428 3.593 20 30 GHEDHM C=C(C)CONC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001205658306 1033513857 /nfs/dbraw/zinc/51/38/57/1033513857.db2.gz BLXCBDQPJUHUNZ-UHFFFAOYSA-N -1 3 389.477 3.733 20 30 GHEDHM C=C[C@@H]1O[C@@H](Oc2cc(C(=O)c3ccc(C)cc3)ccc2[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001229539693 1033549242 /nfs/dbraw/zinc/54/92/42/1033549242.db2.gz WSIXNIGIQNUCKE-MQGJPIDWSA-N -1 3 396.439 3.741 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001159112255 1034431306 /nfs/dbraw/zinc/43/13/06/1034431306.db2.gz UOSGCDRVQZPGFS-SFHVURJKSA-N -1 3 393.487 3.538 20 30 GHEDHM O=C(c1cc(Br)c[nH]c1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161783522 1035301157 /nfs/dbraw/zinc/30/11/57/1035301157.db2.gz GZMTVGFZJQNSFO-UHFFFAOYSA-N -1 3 392.036 3.888 20 30 GHEDHM C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001161843011 1035313766 /nfs/dbraw/zinc/31/37/66/1035313766.db2.gz XDYZSSMAPOXYAR-LBPRGKRZSA-N -1 3 387.436 3.514 20 30 GHEDHM O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N([O-])Cc1cccc2ccccc21 ZINC001161842950 1035313789 /nfs/dbraw/zinc/31/37/89/1035313789.db2.gz VEGIQXJWZXXVNH-NRFANRHFSA-N -1 3 389.455 3.714 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cnc(N)cc1C(F)(F)F ZINC001241679246 1035647595 /nfs/dbraw/zinc/64/75/95/1035647595.db2.gz JKGQYYKEGIYHIG-HCGXMYGOSA-N -1 3 381.358 3.537 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1ccc(CO)c(F)c1Cl ZINC001245880133 1037041662 /nfs/dbraw/zinc/04/16/62/1037041662.db2.gz MGXONBHTYIYRQV-ODCIPOBUSA-N -1 3 379.819 3.826 20 30 GHEDHM CCOC(=O)CN(CCC#N)Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233195086 1038961096 /nfs/dbraw/zinc/96/10/96/1038961096.db2.gz GGFAINBMDCRUCR-UHFFFAOYSA-N -1 3 391.265 3.587 20 30 GHEDHM CC[C@@H](Cc1ccccc1Br)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001252915595 1039253679 /nfs/dbraw/zinc/25/36/79/1039253679.db2.gz KUIJGTNXGCQBNA-ZDUSSCGKSA-N -1 3 393.306 3.509 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001233807867 1039631915 /nfs/dbraw/zinc/63/19/15/1039631915.db2.gz ZIFCSFOSYMUNKW-MOGJKZPKSA-N -1 3 376.453 3.528 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001233807868 1039632420 /nfs/dbraw/zinc/63/24/20/1039632420.db2.gz ZIFCSFOSYMUNKW-NCGDMWLSSA-N -1 3 376.453 3.528 20 30 GHEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001234511519 1040089912 /nfs/dbraw/zinc/08/99/12/1040089912.db2.gz QVQQUBSAGLBMLP-CYBMUJFWSA-N -1 3 398.463 3.621 20 30 GHEDHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2sc3c(c2C#N)CCNC3)c(C)c1C ZINC001237477725 1042226462 /nfs/dbraw/zinc/22/64/62/1042226462.db2.gz GCPDPLJLATUIKB-UHFFFAOYSA-N -1 3 389.546 3.608 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c(C#N)cc1Cl ZINC001258290321 1044494873 /nfs/dbraw/zinc/49/48/73/1044494873.db2.gz PPKXKKFOACPPFR-UHFFFAOYSA-N -1 3 385.754 3.903 20 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1047610111 /nfs/dbraw/zinc/61/01/11/1047610111.db2.gz YYQSEMPHZNQQLO-UHFFFAOYSA-N -1 3 393.393 3.698 20 30 GHEDHM N#CCc1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1 ZINC001290253327 1049779031 /nfs/dbraw/zinc/77/90/31/1049779031.db2.gz VJQUZVCPQRAXOR-UHFFFAOYSA-N -1 3 382.217 3.609 20 30 GHEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001309709805 1050931934 /nfs/dbraw/zinc/93/19/34/1050931934.db2.gz PVPOGWLTQWIMFG-UHFFFAOYSA-N -1 3 380.279 3.620 20 30 GHEDHM CCS(=O)(=O)Nc1cccc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001333204537 1051683997 /nfs/dbraw/zinc/68/39/97/1051683997.db2.gz OQCPZVCFVKLPFV-UHFFFAOYSA-N -1 3 384.457 3.633 20 30 GHEDHM N#CC(=C([O-])c1cc(-n2cccc2)ccc1Cl)c1nnc2n1CCCCC2 ZINC001342917692 1053432510 /nfs/dbraw/zinc/43/25/10/1053432510.db2.gz AHHWIUWDSXBIKU-MRXNPFEDSA-N -1 3 379.851 3.939 20 30 GHEDHM CC(C)n1ncc2c1nc(-c1cccs1)cc2C([O-])=C(C#N)c1nccn1C ZINC001343705063 1053979372 /nfs/dbraw/zinc/97/93/72/1053979372.db2.gz NORHDZAOKWJPEA-CQSZACIVSA-N -1 3 390.472 3.964 20 30 GHEDHM COc1ccccc1C=Nn1c(-c2ccc(O)cc2[O-])csc1=NC1CC1 ZINC001317760625 1054249534 /nfs/dbraw/zinc/24/95/34/1054249534.db2.gz JOUGXLVVYRHCOX-UHFFFAOYSA-N -1 3 381.457 3.582 20 30 GHEDHM O=C(c1ccccc1)N1CCC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC001318166257 1054465727 /nfs/dbraw/zinc/46/57/27/1054465727.db2.gz LLDUUDFILGMQCX-RHLNUJDMSA-N -1 3 387.277 3.878 20 30 GHEDHM Cn1ccnc1C(C#N)=C([O-])c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001356577296 1057554955 /nfs/dbraw/zinc/55/49/55/1057554955.db2.gz DYKXZNLYFPERCH-MRXNPFEDSA-N -1 3 377.423 3.639 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001339198584 1059005714 /nfs/dbraw/zinc/00/57/14/1059005714.db2.gz ZJIVVARJNXYPAC-GOSISDBHSA-N -1 3 376.464 3.585 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@](C)(C#N)C1 ZINC001340611793 1059994189 /nfs/dbraw/zinc/99/41/89/1059994189.db2.gz GADDBUYTHYZHQI-FQEVSTJZSA-N -1 3 385.899 3.738 20 30 GHEDHM CCOc1c(Cl)cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1OC ZINC001347064350 1062083731 /nfs/dbraw/zinc/08/37/31/1062083731.db2.gz XDKVQKRLCKZUII-CYBMUJFWSA-N -1 3 396.834 3.763 20 30 GHEDHM C=C1CCC(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC001455542989 1062215365 /nfs/dbraw/zinc/21/53/65/1062215365.db2.gz BOJOLEJTACYJJA-UHFFFAOYSA-N -1 3 375.266 3.767 20 30 GHEDHM C#CCC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCCC1 ZINC001456186716 1062539983 /nfs/dbraw/zinc/53/99/83/1062539983.db2.gz YJORTWBEHFXJAU-UHFFFAOYSA-N -1 3 387.277 3.747 20 30 GHEDHM C#CCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@H]1CCCc2ccccc21 ZINC001456266452 1062584596 /nfs/dbraw/zinc/58/45/96/1062584596.db2.gz IYVIVCJAGJMTGX-FQEVSTJZSA-N -1 3 392.405 3.959 20 30 GHEDHM CCCCCCCC[C@H](C)C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001348430985 1063071459 /nfs/dbraw/zinc/07/14/59/1063071459.db2.gz YWUYZUPSUNWTSY-INIZCTEOSA-N -1 3 376.545 3.962 20 30 GHEDHM Cc1cc2nc(C)c(CCC(=O)N([O-])CCCCc3ccccc3)c(C)n2n1 ZINC001457993081 1063494055 /nfs/dbraw/zinc/49/40/55/1063494055.db2.gz MXOGCWOTKUNDBM-UHFFFAOYSA-N -1 3 380.492 3.828 20 30 GHEDHM N#Cc1ccccc1Sc1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC001438689882 1064097138 /nfs/dbraw/zinc/09/71/38/1064097138.db2.gz VBQJJVDZQPCLLC-UHFFFAOYSA-N -1 3 388.452 3.798 20 30 GHEDHM N#Cc1sc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)nc1Cl ZINC001460007080 1064340292 /nfs/dbraw/zinc/34/02/92/1064340292.db2.gz VBJONEMKFRJNBX-UHFFFAOYSA-N -1 3 376.703 3.847 20 30 GHEDHM COc1ccc(N2CC[C@@H](/N=C/c3cc(Br)ccc3[O-])C2)cc1 ZINC000849170157 1067751286 /nfs/dbraw/zinc/75/12/86/1067751286.db2.gz LQRWXZCCUPGGKF-PZUDMAOCSA-N -1 3 375.266 3.861 20 30 GHEDHM C=CC[C@H]1CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001469921431 1068470924 /nfs/dbraw/zinc/47/09/24/1068470924.db2.gz VEVNNMPRUIKYBK-LBPRGKRZSA-N -1 3 380.366 3.855 20 30 GHEDHM C=CCCCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735408127 598904550 /nfs/dbraw/zinc/90/45/50/598904550.db2.gz GJLFVNNMROCALW-UHFFFAOYSA-N -1 3 380.399 3.678 20 30 GHEDHM C=CCCCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735408127 598904552 /nfs/dbraw/zinc/90/45/52/598904552.db2.gz GJLFVNNMROCALW-UHFFFAOYSA-N -1 3 380.399 3.678 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1-c1nnn[n-]1 ZINC000737720108 598920618 /nfs/dbraw/zinc/92/06/18/598920618.db2.gz YMLNTMMDLNNGJC-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1-c1nn[n-]n1 ZINC000737720108 598920620 /nfs/dbraw/zinc/92/06/20/598920620.db2.gz YMLNTMMDLNNGJC-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736194066 598926556 /nfs/dbraw/zinc/92/65/56/598926556.db2.gz YDNCBARGYAUPMD-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736194066 598926557 /nfs/dbraw/zinc/92/65/57/598926557.db2.gz YDNCBARGYAUPMD-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706792 598926925 /nfs/dbraw/zinc/92/69/25/598926925.db2.gz ZTFRXKWVGBNMHB-KGLIPLIRSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706792 598926926 /nfs/dbraw/zinc/92/69/26/598926926.db2.gz ZTFRXKWVGBNMHB-KGLIPLIRSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(OC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737722401 598979140 /nfs/dbraw/zinc/97/91/40/598979140.db2.gz UQBBRNIVKVMJSI-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C12CCC2 ZINC000736619086 599033338 /nfs/dbraw/zinc/03/33/38/599033338.db2.gz XLCMNBRMBMMIKS-CQSZACIVSA-N -1 3 380.374 3.633 20 30 GHEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C12CCC2 ZINC000736619086 599033341 /nfs/dbraw/zinc/03/33/41/599033341.db2.gz XLCMNBRMBMMIKS-CQSZACIVSA-N -1 3 380.374 3.633 20 30 GHEDHM Cc1cccc(-c2n[nH]cc2C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822284412 599113461 /nfs/dbraw/zinc/11/34/61/599113461.db2.gz RMDMGBWGHYCBEY-WJDWOHSUSA-N -1 3 382.427 3.778 20 30 GHEDHM Cc1cccc(-c2n[nH]cc2C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822284412 599113463 /nfs/dbraw/zinc/11/34/63/599113463.db2.gz RMDMGBWGHYCBEY-WJDWOHSUSA-N -1 3 382.427 3.778 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737261438 599157383 /nfs/dbraw/zinc/15/73/83/599157383.db2.gz FFPZQHPSGRKWNF-ONNFQVAWSA-N -1 3 388.406 3.704 20 30 GHEDHM FC(F)(F)c1cc(N=NC=C2COc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737632838 598314974 /nfs/dbraw/zinc/31/49/74/598314974.db2.gz NMAASXMMBXEFIR-UHFFFAOYSA-N -1 3 386.337 3.759 20 30 GHEDHM FC(F)(F)c1cc(N=NC=C2COc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000737632838 598314976 /nfs/dbraw/zinc/31/49/76/598314976.db2.gz NMAASXMMBXEFIR-UHFFFAOYSA-N -1 3 386.337 3.759 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000737676093 598383463 /nfs/dbraw/zinc/38/34/63/598383463.db2.gz UURPUFDZPFTPQI-CDNLZTBQSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000737676093 598383464 /nfs/dbraw/zinc/38/34/64/598383464.db2.gz UURPUFDZPFTPQI-CDNLZTBQSA-N -1 3 399.241 3.568 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735974154 598555019 /nfs/dbraw/zinc/55/50/19/598555019.db2.gz JPOGIKRDGZJOSZ-CQSZACIVSA-N -1 3 392.488 3.832 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735974154 598555021 /nfs/dbraw/zinc/55/50/21/598555021.db2.gz JPOGIKRDGZJOSZ-CQSZACIVSA-N -1 3 392.488 3.832 20 30 GHEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735830548 598628935 /nfs/dbraw/zinc/62/89/35/598628935.db2.gz HTTDVEIGLXTZGH-UHFFFAOYSA-N -1 3 393.426 3.568 20 30 GHEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735830548 598628936 /nfs/dbraw/zinc/62/89/36/598628936.db2.gz HTTDVEIGLXTZGH-UHFFFAOYSA-N -1 3 393.426 3.568 20 30 GHEDHM CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506028 598818839 /nfs/dbraw/zinc/81/88/39/598818839.db2.gz OQNMAIGUFOSMAD-OAHLLOKOSA-N -1 3 399.458 3.568 20 30 GHEDHM CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506028 598818841 /nfs/dbraw/zinc/81/88/41/598818841.db2.gz OQNMAIGUFOSMAD-OAHLLOKOSA-N -1 3 399.458 3.568 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000819745595 599295485 /nfs/dbraw/zinc/29/54/85/599295485.db2.gz LKJZLHXURPUFGU-UHFFFAOYSA-N -1 3 397.508 3.841 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000819745595 599295487 /nfs/dbraw/zinc/29/54/87/599295487.db2.gz LKJZLHXURPUFGU-UHFFFAOYSA-N -1 3 397.508 3.841 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737807113 599463636 /nfs/dbraw/zinc/46/36/36/599463636.db2.gz NXUAXGRVOUWVBL-FPLPWBNLSA-N -1 3 399.439 3.534 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737807113 599463641 /nfs/dbraw/zinc/46/36/41/599463641.db2.gz NXUAXGRVOUWVBL-FPLPWBNLSA-N -1 3 399.439 3.534 20 30 GHEDHM Clc1ccc(C(Cc2ccccn2)=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822574614 599664231 /nfs/dbraw/zinc/66/42/31/599664231.db2.gz WIRUFBOJANJQTE-UHFFFAOYSA-N -1 3 389.850 3.974 20 30 GHEDHM CCC(C)(C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820848545 599684322 /nfs/dbraw/zinc/68/43/22/599684322.db2.gz YOSPGILOZBWLLW-CQSZACIVSA-N -1 3 380.477 3.993 20 30 GHEDHM CCC(C)(C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820848545 599684323 /nfs/dbraw/zinc/68/43/23/599684323.db2.gz YOSPGILOZBWLLW-CQSZACIVSA-N -1 3 380.477 3.993 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C ZINC000832971912 601656109 /nfs/dbraw/zinc/65/61/09/601656109.db2.gz ZOGKQNUFOBQPHR-GCJKJVERSA-N -1 3 393.487 3.602 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C ZINC000832971914 601656205 /nfs/dbraw/zinc/65/62/05/601656205.db2.gz ZOGKQNUFOBQPHR-XMSQKQJNSA-N -1 3 393.487 3.602 20 30 GHEDHM CN(CCCOc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830776930 601901073 /nfs/dbraw/zinc/90/10/73/601901073.db2.gz BRUYTBCJHQNAEY-GOSISDBHSA-N -1 3 378.350 3.502 20 30 GHEDHM C=CCN1CCC(NC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000738492489 602470210 /nfs/dbraw/zinc/47/02/10/602470210.db2.gz SEYAJKXZATYWOV-UHFFFAOYSA-N -1 3 386.374 3.567 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c3ccccc3)nc21 ZINC000830532097 603452722 /nfs/dbraw/zinc/45/27/22/603452722.db2.gz LXXGNBLDLBPQFR-JCKWVBRZSA-N -1 3 376.416 3.693 20 30 GHEDHM COc1ccc(Br)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826186601 607645882 /nfs/dbraw/zinc/64/58/82/607645882.db2.gz BLIXTZJROZJQPO-YVMONPNESA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(Br)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826186601 607645884 /nfs/dbraw/zinc/64/58/84/607645884.db2.gz BLIXTZJROZJQPO-YVMONPNESA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(Br)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826186600 607645947 /nfs/dbraw/zinc/64/59/47/607645947.db2.gz BLIXTZJROZJQPO-VMPITWQZSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(Br)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826186600 607645948 /nfs/dbraw/zinc/64/59/48/607645948.db2.gz BLIXTZJROZJQPO-VMPITWQZSA-N -1 3 385.221 3.534 20 30 GHEDHM N#CCC[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826381553 607648667 /nfs/dbraw/zinc/64/86/67/607648667.db2.gz PXQXMKBRAKTRME-MRXNPFEDSA-N -1 3 397.895 3.852 20 30 GHEDHM N#CCC[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826381553 607648669 /nfs/dbraw/zinc/64/86/69/607648669.db2.gz PXQXMKBRAKTRME-MRXNPFEDSA-N -1 3 397.895 3.852 20 30 GHEDHM C=CCC[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000833373348 605184819 /nfs/dbraw/zinc/18/48/19/605184819.db2.gz MDBVLGGTGSUGRO-KRWDZBQOSA-N -1 3 398.425 3.626 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)Oc1ccccc1C ZINC000819743718 606125694 /nfs/dbraw/zinc/12/56/94/606125694.db2.gz OZMJIXPIYGRMCT-LJQANCHMSA-N -1 3 391.475 3.547 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)Oc1ccccc1C ZINC000819743718 606125695 /nfs/dbraw/zinc/12/56/95/606125695.db2.gz OZMJIXPIYGRMCT-LJQANCHMSA-N -1 3 391.475 3.547 20 30 GHEDHM CCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821207816 606153341 /nfs/dbraw/zinc/15/33/41/606153341.db2.gz VBOLSPZZUFCFKQ-UHFFFAOYSA-N -1 3 395.398 3.566 20 30 GHEDHM CCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821207816 606153343 /nfs/dbraw/zinc/15/33/43/606153343.db2.gz VBOLSPZZUFCFKQ-UHFFFAOYSA-N -1 3 395.398 3.566 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000819743643 606162898 /nfs/dbraw/zinc/16/28/98/606162898.db2.gz NDBZFGROFGCVDE-DLBZAZTESA-N -1 3 390.491 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000819743643 606162899 /nfs/dbraw/zinc/16/28/99/606162899.db2.gz NDBZFGROFGCVDE-DLBZAZTESA-N -1 3 390.491 3.757 20 30 GHEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820017286 606204863 /nfs/dbraw/zinc/20/48/63/606204863.db2.gz UWXKXFTYYRFDQE-MRXNPFEDSA-N -1 3 379.445 3.723 20 30 GHEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820017286 606204865 /nfs/dbraw/zinc/20/48/65/606204865.db2.gz UWXKXFTYYRFDQE-MRXNPFEDSA-N -1 3 379.445 3.723 20 30 GHEDHM S=C(NN=Cc1cc(-c2nnn[n-]2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000823733373 606205082 /nfs/dbraw/zinc/20/50/82/606205082.db2.gz VXLLMSKPMQQKDX-UHFFFAOYSA-N -1 3 398.304 3.556 20 30 GHEDHM S=C(NN=Cc1cc(-c2nn[n-]n2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000823733373 606205084 /nfs/dbraw/zinc/20/50/84/606205084.db2.gz VXLLMSKPMQQKDX-UHFFFAOYSA-N -1 3 398.304 3.556 20 30 GHEDHM C=CCSCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819758751 606263491 /nfs/dbraw/zinc/26/34/91/606263491.db2.gz GVUDPMLAUBJCGA-UHFFFAOYSA-N -1 3 397.529 3.667 20 30 GHEDHM C=CCSCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819758751 606263493 /nfs/dbraw/zinc/26/34/93/606263493.db2.gz GVUDPMLAUBJCGA-UHFFFAOYSA-N -1 3 397.529 3.667 20 30 GHEDHM N#C[C@H](C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)c1ccccn1 ZINC000822801268 606395642 /nfs/dbraw/zinc/39/56/42/606395642.db2.gz GSWVIBMZPULYBY-KRWDZBQOSA-N -1 3 398.451 3.903 20 30 GHEDHM N#C[C@H](C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)c1ccccn1 ZINC000822801268 606395644 /nfs/dbraw/zinc/39/56/44/606395644.db2.gz GSWVIBMZPULYBY-KRWDZBQOSA-N -1 3 398.451 3.903 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)cc1 ZINC000822833360 606499402 /nfs/dbraw/zinc/49/94/02/606499402.db2.gz ONLAUODMOSAJED-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)cc1 ZINC000822833360 606499404 /nfs/dbraw/zinc/49/94/04/606499404.db2.gz ONLAUODMOSAJED-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819745968 607010988 /nfs/dbraw/zinc/01/09/88/607010988.db2.gz WZCIBTVLLSFYRY-ZDUSSCGKSA-N -1 3 385.518 3.624 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819745968 607010990 /nfs/dbraw/zinc/01/09/90/607010990.db2.gz WZCIBTVLLSFYRY-ZDUSSCGKSA-N -1 3 385.518 3.624 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822241473 607013836 /nfs/dbraw/zinc/01/38/36/607013836.db2.gz XOELFKCOPFDVSC-OAHLLOKOSA-N -1 3 392.488 3.603 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822241473 607013838 /nfs/dbraw/zinc/01/38/38/607013838.db2.gz XOELFKCOPFDVSC-OAHLLOKOSA-N -1 3 392.488 3.603 20 30 GHEDHM CCC(CC)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820893712 607095328 /nfs/dbraw/zinc/09/53/28/607095328.db2.gz UCGQKHLTIQRMKM-HNNXBMFYSA-N -1 3 380.477 3.993 20 30 GHEDHM CCC(CC)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820893712 607095329 /nfs/dbraw/zinc/09/53/29/607095329.db2.gz UCGQKHLTIQRMKM-HNNXBMFYSA-N -1 3 380.477 3.993 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)OCC ZINC000823874762 607923876 /nfs/dbraw/zinc/92/38/76/607923876.db2.gz YQRGPDUGOFXXMD-AWEZNQCLSA-N -1 3 389.525 3.897 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)OCC ZINC000823874762 607923877 /nfs/dbraw/zinc/92/38/77/607923877.db2.gz YQRGPDUGOFXXMD-AWEZNQCLSA-N -1 3 389.525 3.897 20 30 GHEDHM C=C[C@H](CC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823882915 608000274 /nfs/dbraw/zinc/00/02/74/608000274.db2.gz GDVUNPKKEDWRCK-GFCCVEGCSA-N -1 3 384.823 3.794 20 30 GHEDHM C=C[C@H](CC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823882915 608000275 /nfs/dbraw/zinc/00/02/75/608000275.db2.gz GDVUNPKKEDWRCK-GFCCVEGCSA-N -1 3 384.823 3.794 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000823838545 608300807 /nfs/dbraw/zinc/30/08/07/608300807.db2.gz QZLORCNIVUPCCS-UHFFFAOYSA-N -1 3 393.422 3.717 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000823838545 608300809 /nfs/dbraw/zinc/30/08/09/608300809.db2.gz QZLORCNIVUPCCS-UHFFFAOYSA-N -1 3 393.422 3.717 20 30 GHEDHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000824926699 608307687 /nfs/dbraw/zinc/30/76/87/608307687.db2.gz LGGDBXQUWUBPLR-CRAIPNDOSA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000824926699 608307688 /nfs/dbraw/zinc/30/76/88/608307688.db2.gz LGGDBXQUWUBPLR-CRAIPNDOSA-N -1 3 396.495 3.833 20 30 GHEDHM COc1ccc(C=C2CCOc3cc(Cl)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190914 608387064 /nfs/dbraw/zinc/38/70/64/608387064.db2.gz QODJJONVRXXQDP-XYOKQWHBSA-N -1 3 382.807 3.578 20 30 GHEDHM COc1ccc(C=C2CCOc3cc(Cl)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190914 608387066 /nfs/dbraw/zinc/38/70/66/608387066.db2.gz QODJJONVRXXQDP-XYOKQWHBSA-N -1 3 382.807 3.578 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000826178843 609269951 /nfs/dbraw/zinc/26/99/51/609269951.db2.gz OOSXALGFBKWBEP-QHHAFSJGSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC(F)F ZINC000826178843 609269953 /nfs/dbraw/zinc/26/99/53/609269953.db2.gz OOSXALGFBKWBEP-QHHAFSJGSA-N -1 3 390.321 3.512 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826385344 609303221 /nfs/dbraw/zinc/30/32/21/609303221.db2.gz IFPROJDAQAWCMW-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826385344 609303223 /nfs/dbraw/zinc/30/32/23/609303223.db2.gz IFPROJDAQAWCMW-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1OC(F)F ZINC000823958061 609470422 /nfs/dbraw/zinc/47/04/22/609470422.db2.gz AHYRMFCXPCFGGE-UHFFFAOYSA-N -1 3 378.770 3.958 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1OC(F)F ZINC000823958061 609470424 /nfs/dbraw/zinc/47/04/24/609470424.db2.gz AHYRMFCXPCFGGE-UHFFFAOYSA-N -1 3 378.770 3.958 20 30 GHEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC(F)F)c1 ZINC000826190585 609473720 /nfs/dbraw/zinc/47/37/20/609473720.db2.gz GIRGQGWIKKKKBM-UHFFFAOYSA-N -1 3 394.769 3.576 20 30 GHEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC(F)F)c1 ZINC000826190585 609473722 /nfs/dbraw/zinc/47/37/22/609473722.db2.gz GIRGQGWIKKKKBM-UHFFFAOYSA-N -1 3 394.769 3.576 20 30 GHEDHM CC(C)Oc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1-c1nnn[n-]1 ZINC000824329074 609490043 /nfs/dbraw/zinc/49/00/43/609490043.db2.gz HGUYGDXHINRPRK-UHFFFAOYSA-N -1 3 391.479 3.616 20 30 GHEDHM CC(C)Oc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1-c1nn[n-]n1 ZINC000824329074 609490045 /nfs/dbraw/zinc/49/00/45/609490045.db2.gz HGUYGDXHINRPRK-UHFFFAOYSA-N -1 3 391.479 3.616 20 30 GHEDHM O=C1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CN1c1c(F)cccc1F ZINC000255085155 837720777 /nfs/dbraw/zinc/72/07/77/837720777.db2.gz XFTFEMDAHVZBEI-WOBLHXAESA-N -1 3 395.203 3.657 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1Cl ZINC000127282058 834416979 /nfs/dbraw/zinc/41/69/79/834416979.db2.gz HMFRPBBZGISRHE-UHFFFAOYSA-N -1 3 379.844 3.752 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000039535360 834641063 /nfs/dbraw/zinc/64/10/63/834641063.db2.gz BOHYEULFCGCLQU-CYBMUJFWSA-N -1 3 381.501 3.714 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000175284684 834700760 /nfs/dbraw/zinc/70/07/60/834700760.db2.gz BOPSZRANVNVJQI-UHFFFAOYSA-N -1 3 381.476 3.860 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncc(C#N)cc3Cl)c2)n1 ZINC000431565409 834917568 /nfs/dbraw/zinc/91/75/68/834917568.db2.gz PECINESWDQPBJJ-UHFFFAOYSA-N -1 3 379.807 3.584 20 30 GHEDHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000329446845 835057020 /nfs/dbraw/zinc/05/70/20/835057020.db2.gz CQLXTKYAALFRIQ-INIZCTEOSA-N -1 3 395.503 3.591 20 30 GHEDHM O=C1COc2cc(N=Cc3cc(Br)ccc3[O-])c(Cl)cc2N1 ZINC000255694836 835584102 /nfs/dbraw/zinc/58/41/02/835584102.db2.gz BGWVYUUTPUQLIT-UHFFFAOYSA-N -1 3 381.613 3.890 20 30 GHEDHM N#Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000047333727 844095222 /nfs/dbraw/zinc/09/52/22/844095222.db2.gz QUGWYMPKJQKHPB-UHFFFAOYSA-N -1 3 398.850 3.800 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541124465 839382116 /nfs/dbraw/zinc/38/21/16/839382116.db2.gz GZCUBHIAHAPEBG-CYBMUJFWSA-N -1 3 381.457 3.870 20 30 GHEDHM C=CC[C@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000628489957 839440407 /nfs/dbraw/zinc/44/04/07/839440407.db2.gz LPCIEYJXAYICPZ-LAUBAEHRSA-N -1 3 378.472 3.678 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000122404507 839512635 /nfs/dbraw/zinc/51/26/35/839512635.db2.gz BIGKXQZOLUCWDG-HNNXBMFYSA-N -1 3 378.215 3.652 20 30 GHEDHM COCCOc1cc(N=Cc2cc(Br)ccc2[O-])ccc1OC ZINC000255297398 841160808 /nfs/dbraw/zinc/16/08/08/841160808.db2.gz XOZAHGIWHFJMHR-UHFFFAOYSA-N -1 3 380.238 3.939 20 30 GHEDHM N#CCCn1cc(CN[C@H](CC(=O)[O-])c2cccs2)c(-c2ccccc2)n1 ZINC000585731808 842221423 /nfs/dbraw/zinc/22/14/23/842221423.db2.gz DTGSQLMPDBYEAU-QGZVFWFLSA-N -1 3 380.473 3.831 20 30 GHEDHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc(C#N)ccc3C)n2)cc1 ZINC000471896805 843314886 /nfs/dbraw/zinc/31/48/86/843314886.db2.gz PZLZARVJGGALSH-CQSZACIVSA-N -1 3 396.472 3.519 20 30 GHEDHM CCCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429577200 843792190 /nfs/dbraw/zinc/79/21/90/843792190.db2.gz DZDOHQPOCNMBKM-QGZVFWFLSA-N -1 3 389.459 3.629 20 30 GHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2ccc(C#N)cc2)[nH][n-]1 ZINC000512849078 843883414 /nfs/dbraw/zinc/88/34/14/843883414.db2.gz MIJURFWNYCACHQ-UHFFFAOYSA-N -1 3 380.835 3.604 20 30 GHEDHM N#CCOc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000729241958 844802953 /nfs/dbraw/zinc/80/29/53/844802953.db2.gz MDWOHQXSNNVXOT-UHFFFAOYSA-N -1 3 389.440 3.716 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000015827290 846872848 /nfs/dbraw/zinc/87/28/48/846872848.db2.gz VQZKFNYNXHWAFE-UHFFFAOYSA-N -1 3 392.503 3.815 20 30 GHEDHM O=C1OCCN1Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255511532 847577479 /nfs/dbraw/zinc/57/74/79/847577479.db2.gz NEJDVKUYMXJUMX-UHFFFAOYSA-N -1 3 375.222 3.858 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1Br ZINC000583075249 849021434 /nfs/dbraw/zinc/02/14/34/849021434.db2.gz GYDPCBHVFNPSKR-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)cc(=O)[n-]1 ZINC000329805679 862333866 /nfs/dbraw/zinc/33/38/66/862333866.db2.gz NFYKCMHJGYEMTL-IPELMVKDSA-N -1 3 382.464 3.687 20 30 GHEDHM CC(C)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000436890608 852464639 /nfs/dbraw/zinc/46/46/39/852464639.db2.gz CINHDPMMZFEJGH-UHFFFAOYSA-N -1 3 377.488 3.804 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438475987 852472525 /nfs/dbraw/zinc/47/25/25/852472525.db2.gz ZLVBFSKCUDZZFU-KGLIPLIRSA-N -1 3 383.414 3.693 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)c1 ZINC000589194978 854742158 /nfs/dbraw/zinc/74/21/58/854742158.db2.gz JXVJAZDGWIBFEM-UHFFFAOYSA-N -1 3 381.395 3.968 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1 ZINC000589194978 854742164 /nfs/dbraw/zinc/74/21/64/854742164.db2.gz JXVJAZDGWIBFEM-UHFFFAOYSA-N -1 3 381.395 3.968 20 30 GHEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509220316 856030671 /nfs/dbraw/zinc/03/06/71/856030671.db2.gz PERSFHXJZDQLQA-HZMBPMFUSA-N -1 3 391.718 3.853 20 30 GHEDHM CC[C@@H](C)Oc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccn1 ZINC000273786883 856035236 /nfs/dbraw/zinc/03/52/36/856035236.db2.gz ALEDRHGQNXOXJM-GFCCVEGCSA-N -1 3 393.447 3.683 20 30 GHEDHM C=C1CC(c2noc([C@@H](CCSC)[N-]S(=O)(=O)c3ccc(C)cc3)n2)C1 ZINC000906130294 856841643 /nfs/dbraw/zinc/84/16/43/856841643.db2.gz ZFZCBGHOBFHQNY-MRXNPFEDSA-N -1 3 393.534 3.584 20 30 GHEDHM C=CCCC1(C[N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CCCC1 ZINC001212482855 857786978 /nfs/dbraw/zinc/78/69/78/857786978.db2.gz LWPHPOPVFZULNK-UHFFFAOYSA-N -1 3 383.485 3.726 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486576657 857877694 /nfs/dbraw/zinc/87/76/94/857877694.db2.gz QNQZIYNUEBXMCW-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)cs1 ZINC000442533921 857923127 /nfs/dbraw/zinc/92/31/27/857923127.db2.gz WIDQYDKFDVMBLY-INIZCTEOSA-N -1 3 377.473 3.927 20 30 GHEDHM CCOc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000171960069 863023952 /nfs/dbraw/zinc/02/39/52/863023952.db2.gz RSPLXVRIPSBZEL-ZDUSSCGKSA-N -1 3 378.215 3.748 20 30 GHEDHM CC[C@H](CN(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000185141913 859537266 /nfs/dbraw/zinc/53/72/66/859537266.db2.gz WEZCHJJHNMNFOI-GOSISDBHSA-N -1 3 379.504 3.838 20 30 GHEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171447 860200705 /nfs/dbraw/zinc/20/07/05/860200705.db2.gz WGARIOLMNCHOOR-UHFFFAOYSA-N -1 3 376.460 3.917 20 30 GHEDHM O=C(c1ccncc1)N1CCC[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904170615 860200722 /nfs/dbraw/zinc/20/07/22/860200722.db2.gz DKINMMBRMISHLK-FQEVSTJZSA-N -1 3 389.455 3.505 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc([O-])cc1F ZINC000729932186 860467032 /nfs/dbraw/zinc/46/70/32/860467032.db2.gz GTYCLUJERXEOEW-UHFFFAOYSA-N -1 3 376.331 3.661 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc(Br)c1 ZINC000129962806 860773301 /nfs/dbraw/zinc/77/33/01/860773301.db2.gz KVWLNLYRGYIBBJ-ZDUSSCGKSA-N -1 3 391.196 3.558 20 30 GHEDHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000606714608 863796314 /nfs/dbraw/zinc/79/63/14/863796314.db2.gz NDVWSILESINSJY-AOOOYVTPSA-N -1 3 388.283 3.804 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CCCc2ccc(Br)cc2F)c1[O-] ZINC000734752459 864419095 /nfs/dbraw/zinc/41/90/95/864419095.db2.gz DLEGHPIAWYCWCK-UKWGHVSLSA-N -1 3 381.245 3.541 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC000737704621 865427965 /nfs/dbraw/zinc/42/79/65/865427965.db2.gz KKOVWNFGKUNUFP-PMACEKPBSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC000737704621 865427970 /nfs/dbraw/zinc/42/79/70/865427970.db2.gz KKOVWNFGKUNUFP-PMACEKPBSA-N -1 3 380.411 3.634 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H](COCc2ccccc2)c2ccccc2)c1[O-] ZINC000740763492 866005739 /nfs/dbraw/zinc/00/57/39/866005739.db2.gz JTKAEHBHAICCMW-WUKOTQDVSA-N -1 3 376.456 3.965 20 30 GHEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)c2=O ZINC000122091909 866136183 /nfs/dbraw/zinc/13/61/83/866136183.db2.gz MZIXWDJLAPRLMY-UHFFFAOYSA-N -1 3 379.391 3.887 20 30 GHEDHM CCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCCC[C@H]1OC ZINC000456193995 866209616 /nfs/dbraw/zinc/20/96/16/866209616.db2.gz PCWIRYPJTCSUCC-WOJBJXKFSA-N -1 3 387.524 3.795 20 30 GHEDHM O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[N-]CC(F)(F)F ZINC000444743023 867165250 /nfs/dbraw/zinc/16/52/50/867165250.db2.gz KJXZPOSRYGDJKV-JTQLQIEISA-N -1 3 396.253 3.967 20 30 GHEDHM COc1c(C)cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1C ZINC000920366604 882068290 /nfs/dbraw/zinc/06/82/90/882068290.db2.gz XJFODIADQSROAT-KRWDZBQOSA-N -1 3 396.472 3.587 20 30 GHEDHM Cc1cccc(C)c1OC[C@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000920387948 882079037 /nfs/dbraw/zinc/07/90/37/882079037.db2.gz WIOJOLJKUZUXOC-UGNSCYDZSA-N -1 3 378.266 3.630 20 30 GHEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000743104550 867848009 /nfs/dbraw/zinc/84/80/09/867848009.db2.gz HTWAGDSRKFKYTG-UHFFFAOYSA-N -1 3 392.390 3.953 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(NC(=O)C3CCCCC3)c2)c1[O-] ZINC000920991536 882482852 /nfs/dbraw/zinc/48/28/52/882482852.db2.gz UPBQKDRMFMTJPG-YDZHTSKRSA-N -1 3 381.476 3.726 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)c(C)cc2Br)c1 ZINC001193687598 871237897 /nfs/dbraw/zinc/23/78/97/871237897.db2.gz GLBQHUWHCXVZRZ-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1F ZINC001193796255 871310135 /nfs/dbraw/zinc/31/01/35/871310135.db2.gz PVKKAQCEJRCQAW-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(C(F)F)c(Br)c1 ZINC001195585708 872487364 /nfs/dbraw/zinc/48/73/64/872487364.db2.gz BSILQMORUKQAPC-UHFFFAOYSA-N -1 3 384.180 3.826 20 30 GHEDHM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3cccc4ccccc43)nn2)c1 ZINC000102119843 872576483 /nfs/dbraw/zinc/57/64/83/872576483.db2.gz RMRMARINXUSECZ-LJQANCHMSA-N -1 3 395.422 3.690 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000619463495 872660187 /nfs/dbraw/zinc/66/01/87/872660187.db2.gz KGFILJXIOXLTAE-UHFFFAOYSA-N -1 3 387.205 3.594 20 30 GHEDHM COC(=O)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(OC)cc1OC ZINC000768268943 873198936 /nfs/dbraw/zinc/19/89/36/873198936.db2.gz KCJOJLBFPUYMGD-BTZNOAQDSA-N -1 3 377.824 3.786 20 30 GHEDHM CC(C)(C)OC(=O)c1c([N-]C(=O)c2ncccc2C#N)onc1-c1ccccc1 ZINC001196551426 873205440 /nfs/dbraw/zinc/20/54/40/873205440.db2.gz GAJUUJKSAPSJSF-UHFFFAOYSA-N -1 3 390.399 3.816 20 30 GHEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)nc1)c1cc(C(F)(F)F)ccn1 ZINC000464479765 873970377 /nfs/dbraw/zinc/97/03/77/873970377.db2.gz XRDJAHBGVBXHDW-LLVKDONJSA-N -1 3 389.255 3.927 20 30 GHEDHM N#Cc1cc(NC(=O)c2cncn2Cc2cccc(C(F)(F)F)c2)ccc1[O-] ZINC001198334018 874358797 /nfs/dbraw/zinc/35/87/97/874358797.db2.gz AHKOKVDGXJAMKE-UHFFFAOYSA-N -1 3 386.333 3.780 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2ccc(N(C)C)cc2)c(C)c1[O-] ZINC001198763252 874619971 /nfs/dbraw/zinc/61/99/71/874619971.db2.gz QLWKNKDLZFTUIJ-UHFFFAOYSA-N -1 3 398.488 3.624 20 30 GHEDHM N#CCCN(C(=O)COC(=O)c1cccc(Cl)c1[O-])c1cccc(Cl)c1 ZINC000775935269 874795411 /nfs/dbraw/zinc/79/54/11/874795411.db2.gz JNSOHIRUEFQBGP-UHFFFAOYSA-N -1 3 393.226 3.803 20 30 GHEDHM C=C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000465106693 875104782 /nfs/dbraw/zinc/10/47/82/875104782.db2.gz GNJMVSMDMHBGHT-GFCCVEGCSA-N -1 3 396.871 3.893 20 30 GHEDHM Cc1cc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)c(C)n1Cc1ccccc1 ZINC000776278613 876160561 /nfs/dbraw/zinc/16/05/61/876160561.db2.gz BMWMODTZIMILIY-UHFFFAOYSA-N -1 3 388.423 3.770 20 30 GHEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(O)c1[O-] ZINC000776344378 876311293 /nfs/dbraw/zinc/31/12/93/876311293.db2.gz QZEBAPLVXPOZHT-UHFFFAOYSA-N -1 3 380.213 3.828 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C(=O)OC(C)(C)C)c3)nc1-2 ZINC000537663152 883062192 /nfs/dbraw/zinc/06/21/92/883062192.db2.gz ISMXLMRFMSWKEW-OAHLLOKOSA-N -1 3 376.416 3.712 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccn2Cc2ccccc2)n1 ZINC000067893956 877602542 /nfs/dbraw/zinc/60/25/42/877602542.db2.gz KCNZMPZRRMLSKJ-HNNXBMFYSA-N -1 3 379.441 3.660 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000789405429 878951868 /nfs/dbraw/zinc/95/18/68/878951868.db2.gz MYHNAGWZBLVYHS-CQSZACIVSA-N -1 3 394.337 3.508 20 30 GHEDHM C#CCn1ccc(CN(CC)C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000790115326 879449854 /nfs/dbraw/zinc/44/98/54/879449854.db2.gz MSTFQHOWCSASFQ-UHFFFAOYSA-N -1 3 387.483 3.669 20 30 GHEDHM Fc1cc(Cl)cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000776723857 879666490 /nfs/dbraw/zinc/66/64/90/879666490.db2.gz MYFNYMBQZGAUFC-OAHLLOKOSA-N -1 3 390.827 3.754 20 30 GHEDHM CCOC(=O)C[C@@H]([N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000855517746 880555652 /nfs/dbraw/zinc/55/56/52/880555652.db2.gz XAJHSTFTDRXQHF-ZYHUDNBSSA-N -1 3 389.267 3.716 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1-n1cccc1 ZINC000499114986 881140375 /nfs/dbraw/zinc/14/03/75/881140375.db2.gz GSRHFQFRHZOWNV-UHFFFAOYSA-N -1 3 378.407 3.777 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000191226322 884567115 /nfs/dbraw/zinc/56/71/15/884567115.db2.gz UPKKTERVZHKHRK-UHFFFAOYSA-N -1 3 381.240 3.795 20 30 GHEDHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000914890976 885116104 /nfs/dbraw/zinc/11/61/04/885116104.db2.gz FZPFPGXKKZPJOQ-GFCCVEGCSA-N -1 3 385.420 3.861 20 30 GHEDHM CCc1csc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)cn2)n1 ZINC000762637118 886595386 /nfs/dbraw/zinc/59/53/86/886595386.db2.gz ZHEOIIJOCUFJCU-ZDUSSCGKSA-N -1 3 399.863 3.506 20 30 GHEDHM C=CCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccccn1 ZINC000124820884 886802055 /nfs/dbraw/zinc/80/20/55/886802055.db2.gz UKWRYBYDURMXCX-UHFFFAOYSA-N -1 3 392.444 3.574 20 30 GHEDHM CC(=NNc1nc2ccccc2[n-]c1=S)c1cccc(N2CCOCC2)c1 ZINC000863127980 886883516 /nfs/dbraw/zinc/88/35/16/886883516.db2.gz CEPCINVFKPTCMT-UHFFFAOYSA-N -1 3 379.489 3.965 20 30 GHEDHM O=C(CCCCN1C(=O)c2ccccc2C1=O)N([O-])Cc1ccccc1Cl ZINC001184283500 913133536 /nfs/dbraw/zinc/13/35/36/913133536.db2.gz MKVPHJGDXAPFLB-UHFFFAOYSA-N -1 3 386.835 3.524 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Br)c(F)c1 ZINC000119620252 887368420 /nfs/dbraw/zinc/36/84/20/887368420.db2.gz GRORBPPPZGDIDY-LLVKDONJSA-N -1 3 391.196 3.558 20 30 GHEDHM CCCN1CCN(c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2Cl)CC1 ZINC000809623741 887622876 /nfs/dbraw/zinc/62/28/76/887622876.db2.gz BMHNIKHSBICAJP-UHFFFAOYSA-N -1 3 398.894 3.702 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000763096448 887640686 /nfs/dbraw/zinc/64/06/86/887640686.db2.gz IMYHPOYOQOJWKU-XMTZNVEYSA-N -1 3 399.491 3.793 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000763096446 887640700 /nfs/dbraw/zinc/64/07/00/887640700.db2.gz IMYHPOYOQOJWKU-IIHGDPFSSA-N -1 3 399.491 3.793 20 30 GHEDHM C#CCOc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cc1OCC ZINC000763105073 887666967 /nfs/dbraw/zinc/66/69/67/887666967.db2.gz NBZMTAKLHAXBRN-VQHVLOKHSA-N -1 3 382.412 3.716 20 30 GHEDHM C=CCC[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000810901986 889012369 /nfs/dbraw/zinc/01/23/69/889012369.db2.gz BFMQYPMAMGQFBI-DOTOQJQBSA-N -1 3 382.426 3.654 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3)n2)cc1Cl ZINC000121758132 889121464 /nfs/dbraw/zinc/12/14/64/889121464.db2.gz JNCBTSQYJDYSTR-AWEZNQCLSA-N -1 3 395.802 3.965 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)N3CCCc4c(=O)[n-]cnc43)cc2)cc1 ZINC001132571917 889121579 /nfs/dbraw/zinc/12/15/79/889121579.db2.gz CTWWCTRDTSPJGK-UHFFFAOYSA-N -1 3 386.411 3.634 20 30 GHEDHM C#C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC000811961313 890164491 /nfs/dbraw/zinc/16/44/91/890164491.db2.gz PGAPZBNJVKENFB-OAHLLOKOSA-N -1 3 393.668 3.982 20 30 GHEDHM N#CC(=C([O-])C(=Cc1cccs1)n1nnnc1-c1ccccc1)c1ccccn1 ZINC000916881563 890324458 /nfs/dbraw/zinc/32/44/58/890324458.db2.gz DEBFIYCLVZZXDC-HNMKQIAWSA-N -1 3 398.451 3.671 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)oc1C ZINC000916930321 890422301 /nfs/dbraw/zinc/42/23/01/890422301.db2.gz WSYVHEBPVGFSGW-OAHLLOKOSA-N -1 3 375.384 3.620 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cc2ccccc2o1 ZINC000812422336 890613312 /nfs/dbraw/zinc/61/33/12/890613312.db2.gz CKCHTLPOMCTVIK-KRWDZBQOSA-N -1 3 378.413 3.708 20 30 GHEDHM N#CCCCCCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316631 890751670 /nfs/dbraw/zinc/75/16/70/890751670.db2.gz XEBXMPAGZCMTHL-AWEZNQCLSA-N -1 3 381.398 3.659 20 30 GHEDHM N#CCCCCCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316633 890751735 /nfs/dbraw/zinc/75/17/35/890751735.db2.gz XEBXMPAGZCMTHL-CQSZACIVSA-N -1 3 381.398 3.659 20 30 GHEDHM CCCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OCC ZINC000917508332 892107893 /nfs/dbraw/zinc/10/78/93/892107893.db2.gz PHJOKJCKBZFNHO-MRXNPFEDSA-N -1 3 381.432 3.620 20 30 GHEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ncc(Br)cn1 ZINC000814184195 892380411 /nfs/dbraw/zinc/38/04/11/892380411.db2.gz XMLMRRSYJGLNFB-GDHHIONMSA-N -1 3 385.059 3.887 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000778298273 894154740 /nfs/dbraw/zinc/15/47/40/894154740.db2.gz PFBAGMIZMCQFJI-QGZVFWFLSA-N -1 3 378.819 3.795 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(F)c1 ZINC001185524239 913937525 /nfs/dbraw/zinc/93/75/25/913937525.db2.gz FMAVGSKSMLUBSE-UHFFFAOYSA-N -1 3 383.828 3.931 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC(F)F ZINC000826191015 895975510 /nfs/dbraw/zinc/97/55/10/895975510.db2.gz ULZSZKLUFIBYCQ-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC(F)F ZINC000826191015 895975521 /nfs/dbraw/zinc/97/55/21/895975521.db2.gz ULZSZKLUFIBYCQ-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1ccccc1-c1csc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000041316048 896201059 /nfs/dbraw/zinc/20/10/59/896201059.db2.gz PDCRADHNZINYNI-UHFFFAOYSA-N -1 3 392.484 3.867 20 30 GHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)co2)cc1 ZINC000826273443 896864550 /nfs/dbraw/zinc/86/45/50/896864550.db2.gz DUSKVXXLTRBEBO-CLFYSBASSA-N -1 3 375.363 3.865 20 30 GHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)co2)cc1 ZINC000826273443 896864560 /nfs/dbraw/zinc/86/45/60/896864560.db2.gz DUSKVXXLTRBEBO-CLFYSBASSA-N -1 3 375.363 3.865 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000042737280 897806263 /nfs/dbraw/zinc/80/62/63/897806263.db2.gz GOXHCFKKPFSCTB-UHFFFAOYSA-N -1 3 393.462 3.641 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(C2CCCCC2)n1 ZINC000826359583 898101428 /nfs/dbraw/zinc/10/14/28/898101428.db2.gz LGOFGTQQBATDFJ-CSKARUKUSA-N -1 3 380.427 3.683 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(C2CCCCC2)n1 ZINC000826359583 898101435 /nfs/dbraw/zinc/10/14/35/898101435.db2.gz LGOFGTQQBATDFJ-CSKARUKUSA-N -1 3 380.427 3.683 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](C)CCc2ccccc2)c(C)c1[O-] ZINC001186020498 914254165 /nfs/dbraw/zinc/25/41/65/914254165.db2.gz GWOXUWMELHBIQS-CQSZACIVSA-N -1 3 380.444 3.956 20 30 GHEDHM N#CCCN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)CC1CC1 ZINC000826381710 898909135 /nfs/dbraw/zinc/90/91/35/898909135.db2.gz WERAWXPLIWHWTR-UHFFFAOYSA-N -1 3 388.475 3.571 20 30 GHEDHM N#CCCN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)CC1CC1 ZINC000826381710 898909143 /nfs/dbraw/zinc/90/91/43/898909143.db2.gz WERAWXPLIWHWTR-UHFFFAOYSA-N -1 3 388.475 3.571 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2csc3ccccc23)ccc1F ZINC000778720836 898944605 /nfs/dbraw/zinc/94/46/05/898944605.db2.gz DXCCJYZKSZIPPT-UHFFFAOYSA-N -1 3 390.461 3.757 20 30 GHEDHM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C(F)(F)F ZINC000826386310 899104123 /nfs/dbraw/zinc/10/41/23/899104123.db2.gz YPIFRTWWTCZDFW-UHFFFAOYSA-N -1 3 392.322 3.817 20 30 GHEDHM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C(F)(F)F ZINC000826386310 899104133 /nfs/dbraw/zinc/10/41/33/899104133.db2.gz YPIFRTWWTCZDFW-UHFFFAOYSA-N -1 3 392.322 3.817 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC000823914429 899297770 /nfs/dbraw/zinc/29/77/70/899297770.db2.gz INXMWTJDXKXDAA-UHFFFAOYSA-N -1 3 393.495 3.561 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC000823914429 899297786 /nfs/dbraw/zinc/29/77/86/899297786.db2.gz INXMWTJDXKXDAA-UHFFFAOYSA-N -1 3 393.495 3.561 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824059213 899366503 /nfs/dbraw/zinc/36/65/03/899366503.db2.gz OZNCDEVVQCHTGC-UHFFFAOYSA-N -1 3 391.431 3.542 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824059213 899366517 /nfs/dbraw/zinc/36/65/17/899366517.db2.gz OZNCDEVVQCHTGC-UHFFFAOYSA-N -1 3 391.431 3.542 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000824059475 899366773 /nfs/dbraw/zinc/36/67/73/899366773.db2.gz WVFXDXUPPLUVFS-UHFFFAOYSA-N -1 3 391.431 3.542 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000824059475 899366782 /nfs/dbraw/zinc/36/67/82/899366782.db2.gz WVFXDXUPPLUVFS-UHFFFAOYSA-N -1 3 391.431 3.542 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2ccc(Cl)cc2n1 ZINC000137222406 900826183 /nfs/dbraw/zinc/82/61/83/900826183.db2.gz XQORQTXDQNJYCD-ROJDOSBLSA-N -1 3 376.803 3.644 20 30 GHEDHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1Cl ZINC000886403854 900981965 /nfs/dbraw/zinc/98/19/65/900981965.db2.gz UXEBGJWYDILJJO-UHFFFAOYSA-N -1 3 377.897 3.659 20 30 GHEDHM C=C(C)[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(F)c(F)c1 ZINC000576075247 901653446 /nfs/dbraw/zinc/65/34/46/901653446.db2.gz JRTQTJBPSZPTSU-MRXNPFEDSA-N -1 3 399.415 3.557 20 30 GHEDHM CC(C)(C)OC(=O)[C@]1(C([O-])=C(C#N)c2cnc3ccccc3n2)CC=CCC1 ZINC000845530276 902233199 /nfs/dbraw/zinc/23/31/99/902233199.db2.gz FMALPFVSEOUUSH-OYHNWAKOSA-N -1 3 377.444 3.874 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CSc1ccc([N+](=O)[O-])cc1 ZINC000845835771 902444439 /nfs/dbraw/zinc/44/44/39/902444439.db2.gz DYGMVZRCWYYTTQ-KRWDZBQOSA-N -1 3 380.425 3.697 20 30 GHEDHM N#CC(C(=O)CSc1ccc([N+](=O)[O-])cc1)=C([O-])C1(c2ccccc2)CC1 ZINC000845835771 902444445 /nfs/dbraw/zinc/44/44/45/902444445.db2.gz DYGMVZRCWYYTTQ-KRWDZBQOSA-N -1 3 380.425 3.697 20 30 GHEDHM CC(=O)c1cccc(O[C@@H](C)C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1 ZINC000845836714 902447139 /nfs/dbraw/zinc/44/71/39/902447139.db2.gz BVHDBDXIRUXCPG-JXFKEZNVSA-N -1 3 375.424 3.666 20 30 GHEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845836714 902447148 /nfs/dbraw/zinc/44/71/48/902447148.db2.gz BVHDBDXIRUXCPG-JXFKEZNVSA-N -1 3 375.424 3.666 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000129420353 902807535 /nfs/dbraw/zinc/80/75/35/902807535.db2.gz VGJAFKWGCBIUGV-UHFFFAOYSA-N -1 3 381.476 3.751 20 30 GHEDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3cc(C4CC4)on3)c(C#N)c21 ZINC001146916808 903649651 /nfs/dbraw/zinc/64/96/51/903649651.db2.gz DDKBMEGTQGVKJX-NSHDSACASA-N -1 3 385.445 3.720 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000299549722 921438200 /nfs/dbraw/zinc/43/82/00/921438200.db2.gz KTABDXSTAVOBFF-UHFFFAOYSA-N -1 3 389.459 3.991 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773977847 911189189 /nfs/dbraw/zinc/18/91/89/911189189.db2.gz ZNBHCWJSVNEJCB-QGZVFWFLSA-N -1 3 378.819 3.546 20 30 GHEDHM CO[C@H](c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)c1ccccc1Cl ZINC000274076767 911212259 /nfs/dbraw/zinc/21/22/59/911212259.db2.gz QZQNMAMGLYHYNY-SFHVURJKSA-N -1 3 398.850 3.833 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@@H](C#N)C2CCCCC2)CC1 ZINC000774020172 911259759 /nfs/dbraw/zinc/25/97/59/911259759.db2.gz QGDZUZPVJBOICB-INIZCTEOSA-N -1 3 399.482 3.857 20 30 GHEDHM COc1ccc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c(C)c1C ZINC001188081684 915742989 /nfs/dbraw/zinc/74/29/89/915742989.db2.gz RJXXJNIJBFBDMS-UHFFFAOYSA-N -1 3 382.338 3.776 20 30 GHEDHM N#CCc1cc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)ccc1F ZINC001188903001 916290319 /nfs/dbraw/zinc/29/03/19/916290319.db2.gz YPLDKDDREVPRCH-UHFFFAOYSA-N -1 3 383.404 3.880 20 30 GHEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189649830 916812005 /nfs/dbraw/zinc/81/20/05/916812005.db2.gz XQVKTZANCVFUNB-UHFFFAOYSA-N -1 3 380.492 3.531 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001190669393 917457743 /nfs/dbraw/zinc/45/77/43/917457743.db2.gz PVYIZLIKBONVLU-UHFFFAOYSA-N -1 3 384.354 3.684 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(Cc3ccc(F)cc3)CCC2)c1 ZINC001190676542 917507015 /nfs/dbraw/zinc/50/70/15/917507015.db2.gz FTNUEWBJZMOCMD-UHFFFAOYSA-N -1 3 376.428 3.528 20 30 GHEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(C(=O)OCC)c(C(F)(F)F)c2)CC1 ZINC001190815299 917577420 /nfs/dbraw/zinc/57/74/20/917577420.db2.gz JVCDEIUKSHLHFJ-UHFFFAOYSA-N -1 3 377.384 3.733 20 30 GHEDHM CC(C)S(=O)(=O)c1ccc(CC(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC000901370426 921046649 /nfs/dbraw/zinc/04/66/49/921046649.db2.gz ZBIRPPHWWYGSET-UHFFFAOYSA-N -1 3 397.496 3.982 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@H](C)c1nc2ccccc2s1 ZINC000748788555 923829315 /nfs/dbraw/zinc/82/93/15/923829315.db2.gz HCKWKMDKAPHTIR-AWEZNQCLSA-N -1 3 387.530 3.938 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CCc2ccccc2)CC1 ZINC000011452955 925024178 /nfs/dbraw/zinc/02/41/78/925024178.db2.gz XWGCPIGECBOGNN-UHFFFAOYSA-N -1 3 391.515 3.667 20 30 GHEDHM C=CC[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000410148713 925356416 /nfs/dbraw/zinc/35/64/16/925356416.db2.gz RROIEOKLPVZTIP-OAHLLOKOSA-N -1 3 376.453 3.711 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)C[C@@H](C)C2 ZINC000411008898 925992722 /nfs/dbraw/zinc/99/27/22/925992722.db2.gz IXIITDFTSPREAL-ZJUUUORDSA-N -1 3 396.472 3.706 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1sc2nccn2c1C ZINC000780305533 927828424 /nfs/dbraw/zinc/82/84/24/927828424.db2.gz KXBFKTWVAUBMOW-HNNXBMFYSA-N -1 3 380.473 3.790 20 30 GHEDHM O=C(Nc1ccncc1)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000750948703 927944929 /nfs/dbraw/zinc/94/49/29/927944929.db2.gz PADFVRSENYRUQG-UHFFFAOYSA-N -1 3 396.244 3.975 20 30 GHEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1cccc(OC)c1 ZINC000413000954 928091472 /nfs/dbraw/zinc/09/14/72/928091472.db2.gz OOUURXOWIUFIQW-UHFFFAOYSA-N -1 3 395.488 3.805 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C(C)=Cc1ccc(F)cc1 ZINC000759242601 930318727 /nfs/dbraw/zinc/31/87/27/930318727.db2.gz PCCVAUIXNPFUBP-XSLBHYSZSA-N -1 3 396.418 3.942 20 30 GHEDHM N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001138015179 935928553 /nfs/dbraw/zinc/92/85/53/935928553.db2.gz UIBOKYXHSWQWPK-UHFFFAOYSA-N -1 3 381.613 3.697 20 30 GHEDHM C#CCN(C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC001573282924 946701912 /nfs/dbraw/zinc/70/19/12/946701912.db2.gz NQOOSFITDLWOJP-HXUWFJFHSA-N -1 3 386.459 3.720 20 30 GHEDHM C#CCN(C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)[C@@H]1CCCc2ccccc21 ZINC001573282924 946701919 /nfs/dbraw/zinc/70/19/19/946701919.db2.gz NQOOSFITDLWOJP-HXUWFJFHSA-N -1 3 386.459 3.720 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)c1 ZINC001573294127 946978271 /nfs/dbraw/zinc/97/82/71/946978271.db2.gz VFQXWBFXFQHOQR-UHFFFAOYSA-N -1 3 385.374 3.552 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)c1 ZINC001573294127 946978277 /nfs/dbraw/zinc/97/82/77/946978277.db2.gz VFQXWBFXFQHOQR-UHFFFAOYSA-N -1 3 385.374 3.552 20 30 GHEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@H]1C(C)C ZINC001573297724 947066870 /nfs/dbraw/zinc/06/68/70/947066870.db2.gz KPIADDWHPFKUHF-INIZCTEOSA-N -1 3 398.902 3.503 20 30 GHEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@H]1C(C)C ZINC001573297724 947066878 /nfs/dbraw/zinc/06/68/78/947066878.db2.gz KPIADDWHPFKUHF-INIZCTEOSA-N -1 3 398.902 3.503 20 30 GHEDHM C=CCC[C@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001573333643 947440338 /nfs/dbraw/zinc/44/03/38/947440338.db2.gz CGFLACAHPGOSRR-INIZCTEOSA-N -1 3 393.447 3.610 20 30 GHEDHM C=CCOc1ccc(CNc2c(Br)cccc2-c2nnn[n-]2)cc1 ZINC001573347390 947573861 /nfs/dbraw/zinc/57/38/61/947573861.db2.gz DDFJQTHUTMRLOT-UHFFFAOYSA-N -1 3 386.253 3.806 20 30 GHEDHM C=CCOc1ccc(CNc2c(Br)cccc2-c2nn[n-]n2)cc1 ZINC001573347390 947573868 /nfs/dbraw/zinc/57/38/68/947573868.db2.gz DDFJQTHUTMRLOT-UHFFFAOYSA-N -1 3 386.253 3.806 20 30 GHEDHM C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001588901641 984524903 /nfs/dbraw/zinc/52/49/03/984524903.db2.gz YFEGCKIXIBZDKF-AWEZNQCLSA-N -1 3 390.509 3.637 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3ccncc3c2)c(C)c1[O-] ZINC001154598956 1032206402 /nfs/dbraw/zinc/20/64/02/1032206402.db2.gz SZSFDEIQMIUUPF-UHFFFAOYSA-N -1 3 375.384 3.550 20 30 GHEDHM [O-]N=C(Nc1nccc(N2CCCCC2)n1)c1ccc(OC(F)(F)F)cc1 ZINC001155914152 1032791036 /nfs/dbraw/zinc/79/10/36/1032791036.db2.gz HADJOUBZVOWTIL-UHFFFAOYSA-N -1 3 381.358 3.613 20 30 GHEDHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000779196977 1020498537 /nfs/dbraw/zinc/49/85/37/1020498537.db2.gz KFKWYRUJXORCJS-GFCCVEGCSA-N -1 3 392.864 3.826 20 30 GHEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000836269665 1022803234 /nfs/dbraw/zinc/80/32/34/1022803234.db2.gz FSSFYPPMUMVDMO-GOSISDBHSA-N -1 3 381.432 3.737 20 30 GHEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000836269665 1022803243 /nfs/dbraw/zinc/80/32/43/1022803243.db2.gz FSSFYPPMUMVDMO-GOSISDBHSA-N -1 3 381.432 3.737 20 30 GHEDHM COC(=O)c1cc2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ncc2o1 ZINC001163765279 1026307659 /nfs/dbraw/zinc/30/76/59/1026307659.db2.gz BKMZXHCMPYKCGD-UHFFFAOYSA-N -1 3 395.293 3.761 20 30 GHEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3[n-]c(C)cc(=O)c3C#N)[C@@H]12 ZINC001225470070 1031428143 /nfs/dbraw/zinc/42/81/43/1031428143.db2.gz QCNZTAPROXYOAP-SXTKRDDTSA-N -1 3 380.444 3.723 20 30 GHEDHM C[C@H](NC(=O)c1c[n-]c2cc(Br)ccc2c1=O)c1cccc(C#N)c1 ZINC001153878195 1031787908 /nfs/dbraw/zinc/78/79/08/1031787908.db2.gz KOKDXSSPPXJOET-NSHDSACASA-N -1 3 396.244 3.653 20 30 GHEDHM COC(=O)C[C@@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])C1CCCCC1 ZINC001160558728 1035002200 /nfs/dbraw/zinc/00/22/00/1035002200.db2.gz UKVYPIPZFCCLAE-KBSHCFNASA-N -1 3 386.905 3.584 20 30 GHEDHM CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CO1 ZINC001161819808 1035308153 /nfs/dbraw/zinc/30/81/53/1035308153.db2.gz WMXFPSQSHDUJBY-RTBURBONSA-N -1 3 391.508 3.754 20 30 GHEDHM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N([O-])Cc1cccc3ccccc31)C2=O ZINC001161842986 1035313780 /nfs/dbraw/zinc/31/37/80/1035313780.db2.gz WJBWHHFPRWHFED-HNNXBMFYSA-N -1 3 388.423 3.551 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(C#N)ccc2[O-])C[C@@H]1C(F)(F)F ZINC001232677331 1038476430 /nfs/dbraw/zinc/47/64/30/1038476430.db2.gz AYGMVZLDUMRJAI-GJZGRUSLSA-N -1 3 399.413 3.541 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CC2 ZINC001233803583 1039628573 /nfs/dbraw/zinc/62/85/73/1039628573.db2.gz RBLVQNFHIQLGJG-KKJJZKEWSA-N -1 3 376.453 3.672 20 30 GHEDHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@H](C)C#C[Si](C)(C)C ZINC001234609738 1040167158 /nfs/dbraw/zinc/16/71/58/1040167158.db2.gz SBQMKTDBKSUNCK-LLVKDONJSA-N -1 3 385.330 3.980 20 30 GHEDHM C#C[C@@H](CC)Oc1c(OC)cc(=O)c2c([O-])cc(-c3ccccc3OC)oc1-2 ZINC001234735572 1040261776 /nfs/dbraw/zinc/26/17/76/1040261776.db2.gz ZHIOHILAJGIIGK-ZDUSSCGKSA-N -1 3 380.396 3.973 20 30 GHEDHM N#C[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ccccc1F ZINC001234753849 1040282830 /nfs/dbraw/zinc/28/28/30/1040282830.db2.gz RXPDGCQZLGVOES-IBGZPJMESA-N -1 3 393.326 3.846 20 30 GHEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001277992480 1041799665 /nfs/dbraw/zinc/79/96/65/1041799665.db2.gz IBIRYBMULHXDEY-AWEZNQCLSA-N -1 3 383.319 3.993 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)ccc1F ZINC001259418596 1045137973 /nfs/dbraw/zinc/13/79/73/1045137973.db2.gz HHSXXWAYDQSTJC-UHFFFAOYSA-N -1 3 378.278 3.536 20 30 GHEDHM CC(C)(O)C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC001260718893 1045625887 /nfs/dbraw/zinc/62/58/87/1045625887.db2.gz YRTVCBLFRMGQBE-UHFFFAOYSA-N -1 3 399.512 3.713 20 30 GHEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001260824959 1045691759 /nfs/dbraw/zinc/69/17/59/1045691759.db2.gz QHJIJVVVLXQYES-HNNXBMFYSA-N -1 3 394.320 3.557 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001263306806 1046704259 /nfs/dbraw/zinc/70/42/59/1046704259.db2.gz JEDHWBAOEBLONH-CQSZACIVSA-N -1 3 392.381 3.743 20 30 GHEDHM N#CC(=C([O-])c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)c1ccncn1 ZINC001263380376 1046764823 /nfs/dbraw/zinc/76/48/23/1046764823.db2.gz ORPQQEZCSSPFFD-SFHVURJKSA-N -1 3 380.411 3.578 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001263535247 1046928822 /nfs/dbraw/zinc/92/88/22/1046928822.db2.gz TYGNTIWMUZFLHR-ZMSDIMECSA-N -1 3 379.378 3.886 20 30 GHEDHM Cc1ccc(CSc2nc(NC(=O)CCc3ccc(C#N)cc3)n[n-]2)cc1 ZINC001305446442 1048058535 /nfs/dbraw/zinc/05/85/35/1048058535.db2.gz NJEKIQLOHDHUAL-UHFFFAOYSA-N -1 3 377.473 3.848 20 30 GHEDHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]CC(F)(C(F)(F)F)C(F)(F)F ZINC001306878767 1048940355 /nfs/dbraw/zinc/94/03/55/1048940355.db2.gz QVVGTJDPGYXBQP-ZCFIWIBFSA-N -1 3 383.210 3.681 20 30 GHEDHM O=C(N([O-])Cc1ccccc1Cl)C1(c2cncc(Br)c2)CC1 ZINC001306894438 1048948913 /nfs/dbraw/zinc/94/89/13/1048948913.db2.gz LHDRTOMRWGEWRM-UHFFFAOYSA-N -1 3 381.657 3.947 20 30 GHEDHM O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC001306899857 1048951636 /nfs/dbraw/zinc/95/16/36/1048951636.db2.gz DZSZVGNTSZRSQV-LJQANCHMSA-N -1 3 381.453 3.519 20 30 GHEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC001475318150 1050478792 /nfs/dbraw/zinc/47/87/92/1050478792.db2.gz TZYHSYCYTKAOSD-OAHLLOKOSA-N -1 3 399.335 3.653 20 30 GHEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001309515293 1050776188 /nfs/dbraw/zinc/77/61/88/1050776188.db2.gz GBEXVMWXQIFWCU-HNNXBMFYSA-N -1 3 388.436 3.909 20 30 GHEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001309515295 1050776617 /nfs/dbraw/zinc/77/66/17/1050776617.db2.gz GBEXVMWXQIFWCU-OAHLLOKOSA-N -1 3 388.436 3.909 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1c[nH]c2cccc(C)c12 ZINC001317978836 1054337544 /nfs/dbraw/zinc/33/75/44/1054337544.db2.gz MRMOLEIILBZDEO-UHFFFAOYSA-N -1 3 378.457 3.830 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccnc(Cl)c1 ZINC001344539209 1054551510 /nfs/dbraw/zinc/55/15/10/1054551510.db2.gz DAUJDXCRLFKODK-NSHDSACASA-N -1 3 378.215 3.667 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cncc2ccccc12 ZINC001319934767 1055550324 /nfs/dbraw/zinc/55/03/24/1055550324.db2.gz RHRXZSALMNDKNU-UHFFFAOYSA-N -1 3 376.441 3.589 20 30 GHEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n(-c2ccc(C)cc2)n1 ZINC001321458949 1056273213 /nfs/dbraw/zinc/27/32/13/1056273213.db2.gz UIAGMHFMSKPXMJ-UHFFFAOYSA-N -1 3 389.459 3.650 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](c4nccs4)C3)n2C)c1[O-] ZINC001339315207 1059096618 /nfs/dbraw/zinc/09/66/18/1059096618.db2.gz CTIZFYIRKFCOPG-HNNXBMFYSA-N -1 3 381.505 3.757 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001340717124 1060072332 /nfs/dbraw/zinc/07/23/32/1060072332.db2.gz YCOVJSOEMFYCIO-GOSISDBHSA-N -1 3 390.491 3.913 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCC2CCCCC2)ccc1F ZINC001456334291 1062620475 /nfs/dbraw/zinc/62/04/75/1062620475.db2.gz LOWUMAALPPTTKB-OAHLLOKOSA-N -1 3 396.528 3.769 20 30 GHEDHM CC(=O)c1cc(C#N)ccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001436274729 1063347998 /nfs/dbraw/zinc/34/79/98/1063347998.db2.gz FUSUBZRWCQUQGE-UHFFFAOYSA-N -1 3 394.206 3.745 20 30 GHEDHM CCCCN([O-])C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC001458012423 1063506942 /nfs/dbraw/zinc/50/69/42/1063506942.db2.gz VHNZORNGWSAIJO-UHFFFAOYSA-N -1 3 385.489 3.841 20 30 GHEDHM C=CCCC[C@@H](C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001350427644 1064083303 /nfs/dbraw/zinc/08/33/03/1064083303.db2.gz BLDCZRKFGZGGDT-VQTJNVASSA-N -1 3 394.519 3.716 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1F ZINC001353260697 1065813805 /nfs/dbraw/zinc/81/38/05/1065813805.db2.gz FPZKHWOHAXHASH-NVXWUHKLSA-N -1 3 396.528 3.625 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(F)ccc1OC(F)F ZINC000849663402 1067931018 /nfs/dbraw/zinc/93/10/18/1067931018.db2.gz SRIWXJDWOCBINQ-UHFFFAOYSA-N -1 3 394.349 3.692 20 30 GHEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)[n-]n1 ZINC001469327155 1068104539 /nfs/dbraw/zinc/10/45/39/1068104539.db2.gz UINMLIDRNOZUKM-UHFFFAOYSA-N -1 3 381.219 3.796 20 30 GHEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)n[n-]1 ZINC001469327155 1068104544 /nfs/dbraw/zinc/10/45/44/1068104544.db2.gz UINMLIDRNOZUKM-UHFFFAOYSA-N -1 3 381.219 3.796 20 30 GHEDHM C#CC1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCC1 ZINC001471527362 1073117195 /nfs/dbraw/zinc/11/71/95/1073117195.db2.gz XDYIOBWUYFRLFZ-UHFFFAOYSA-N -1 3 393.668 3.620 20 30 GHEDHM O=C(NCCC(=O)N([O-])Cc1cccc2ccccc21)c1cc2ccccc2[nH]1 ZINC001472622398 1073581599 /nfs/dbraw/zinc/58/15/99/1073581599.db2.gz KETDHPWZIYPEEJ-UHFFFAOYSA-N -1 3 387.439 3.859 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccc(Cl)cc1 ZINC001475365419 1074850836 /nfs/dbraw/zinc/85/08/36/1074850836.db2.gz FYMVAKJYQVTNCQ-CQSZACIVSA-N -1 3 399.255 3.863 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC001475409195 1074864960 /nfs/dbraw/zinc/86/49/60/1074864960.db2.gz JMVPXBLNDRDLKX-UHFFFAOYSA-N -1 3 391.699 3.514 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000737717854 598916463 /nfs/dbraw/zinc/91/64/63/598916463.db2.gz BQVFGANPKFHUEL-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000737717854 598916464 /nfs/dbraw/zinc/91/64/64/598916464.db2.gz BQVFGANPKFHUEL-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1-c1nnn[n-]1 ZINC000737717093 598922195 /nfs/dbraw/zinc/92/21/95/598922195.db2.gz YLZDCOKXFVCMNH-UHFFFAOYSA-N -1 3 394.394 3.819 20 30 GHEDHM N#Cc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1-c1nn[n-]n1 ZINC000737717093 598922196 /nfs/dbraw/zinc/92/21/96/598922196.db2.gz YLZDCOKXFVCMNH-UHFFFAOYSA-N -1 3 394.394 3.819 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1coc2ccccc12 ZINC000735420414 598924036 /nfs/dbraw/zinc/92/40/36/598924036.db2.gz PJIBIVZUXDLEQR-UHFFFAOYSA-N -1 3 388.431 3.511 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1coc2ccccc12 ZINC000735420414 598924038 /nfs/dbraw/zinc/92/40/38/598924038.db2.gz PJIBIVZUXDLEQR-UHFFFAOYSA-N -1 3 388.431 3.511 20 30 GHEDHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736193866 598926257 /nfs/dbraw/zinc/92/62/57/598926257.db2.gz UVGVPDJNHYTLTC-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736193866 598926258 /nfs/dbraw/zinc/92/62/58/598926258.db2.gz UVGVPDJNHYTLTC-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccccc3)nc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504040 599114554 /nfs/dbraw/zinc/11/45/54/599114554.db2.gz LFUBVSPNBNEAGX-YVLHZVERSA-N -1 3 380.411 3.536 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccccc3)nc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504040 599114555 /nfs/dbraw/zinc/11/45/55/599114555.db2.gz LFUBVSPNBNEAGX-YVLHZVERSA-N -1 3 380.411 3.536 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000737082104 599151018 /nfs/dbraw/zinc/15/10/18/599151018.db2.gz UQDKPWOAOWMFIZ-WAPJZHGLSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000737082104 599151020 /nfs/dbraw/zinc/15/10/20/599151020.db2.gz UQDKPWOAOWMFIZ-WAPJZHGLSA-N -1 3 385.221 3.534 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)s2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737201646 599157468 /nfs/dbraw/zinc/15/74/68/599157468.db2.gz FQDSQZFYIZKTRG-SOFGYWHQSA-N -1 3 396.863 3.972 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737204155 599157579 /nfs/dbraw/zinc/15/75/79/599157579.db2.gz YKGPJZZHMMZVPU-WTKPLQERSA-N -1 3 392.369 3.535 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCSc2ccccc21 ZINC000735419140 599184149 /nfs/dbraw/zinc/18/41/49/599184149.db2.gz PNXBSNBWFLLUTD-SFHVURJKSA-N -1 3 391.500 3.661 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCSc2ccccc21 ZINC000735419140 599184152 /nfs/dbraw/zinc/18/41/52/599184152.db2.gz PNXBSNBWFLLUTD-SFHVURJKSA-N -1 3 391.500 3.661 20 30 GHEDHM COc1ccc2cc(C=CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)ccc2c1 ZINC000737118909 599194003 /nfs/dbraw/zinc/19/40/03/599194003.db2.gz JHYPOJYLTMRZQN-OQFOIZHKSA-N -1 3 396.410 3.552 20 30 GHEDHM COc1ccc2cc(C=CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)ccc2c1 ZINC000737118909 599194005 /nfs/dbraw/zinc/19/40/05/599194005.db2.gz JHYPOJYLTMRZQN-OQFOIZHKSA-N -1 3 396.410 3.552 20 30 GHEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cc(Cl)ccc2OCC#N)n1 ZINC000737242125 599220656 /nfs/dbraw/zinc/22/06/56/599220656.db2.gz VGAWFXPXEZCJTA-UHFFFAOYSA-N -1 3 386.868 3.727 20 30 GHEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cc(Cl)ccc2OCC#N)n1 ZINC000737242125 599220658 /nfs/dbraw/zinc/22/06/58/599220658.db2.gz VGAWFXPXEZCJTA-UHFFFAOYSA-N -1 3 386.868 3.727 20 30 GHEDHM Cc1c(C#N)cccc1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822015509 607296231 /nfs/dbraw/zinc/29/62/31/607296231.db2.gz LGWMWJKEMISQQI-UHFFFAOYSA-N -1 3 380.411 3.966 20 30 GHEDHM Cc1c(C#N)cccc1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822015509 607296232 /nfs/dbraw/zinc/29/62/32/607296232.db2.gz LGWMWJKEMISQQI-UHFFFAOYSA-N -1 3 380.411 3.966 20 30 GHEDHM C=CCN(CCc1ccccc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735419189 598323443 /nfs/dbraw/zinc/32/34/43/598323443.db2.gz PWCVFYLXQGYTLZ-UHFFFAOYSA-N -1 3 398.923 3.948 20 30 GHEDHM C=CCN(CCc1ccccc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735419189 598323444 /nfs/dbraw/zinc/32/34/44/598323444.db2.gz PWCVFYLXQGYTLZ-UHFFFAOYSA-N -1 3 398.923 3.948 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000735418703 598533727 /nfs/dbraw/zinc/53/37/27/598533727.db2.gz IPZCTFMFMBJNNW-PKOBYXMFSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000735418703 598533729 /nfs/dbraw/zinc/53/37/29/598533729.db2.gz IPZCTFMFMBJNNW-PKOBYXMFSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1OCC(C)C ZINC000735418123 598552648 /nfs/dbraw/zinc/55/26/48/598552648.db2.gz BEWLGWYRQJOQIZ-UHFFFAOYSA-N -1 3 391.475 3.730 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1OCC(C)C ZINC000735418123 598552649 /nfs/dbraw/zinc/55/26/49/598552649.db2.gz BEWLGWYRQJOQIZ-UHFFFAOYSA-N -1 3 391.475 3.730 20 30 GHEDHM CCCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000736493421 598638819 /nfs/dbraw/zinc/63/88/19/598638819.db2.gz URYUDRYWDDCXQA-MDZDMXLPSA-N -1 3 377.448 3.608 20 30 GHEDHM CCCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000736493421 598638821 /nfs/dbraw/zinc/63/88/21/598638821.db2.gz URYUDRYWDDCXQA-MDZDMXLPSA-N -1 3 377.448 3.608 20 30 GHEDHM COc1ccc2cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)ccc2c1 ZINC000737119668 599457994 /nfs/dbraw/zinc/45/79/94/599457994.db2.gz RTGULZPQHABLKU-SOFGYWHQSA-N -1 3 396.410 3.572 20 30 GHEDHM COc1ccc2cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)ccc2c1 ZINC000737119668 599457995 /nfs/dbraw/zinc/45/79/95/599457995.db2.gz RTGULZPQHABLKU-SOFGYWHQSA-N -1 3 396.410 3.572 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)cc1Cl ZINC000737809375 599462361 /nfs/dbraw/zinc/46/23/61/599462361.db2.gz VNCLZOFSJLLXTB-HYXAFXHYSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)cc1Cl ZINC000737809375 599462364 /nfs/dbraw/zinc/46/23/64/599462364.db2.gz VNCLZOFSJLLXTB-HYXAFXHYSA-N -1 3 385.214 3.717 20 30 GHEDHM CC(C)CN(CCC#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735827546 599566644 /nfs/dbraw/zinc/56/66/44/599566644.db2.gz PWOWRTTZLSCGSH-UHFFFAOYSA-N -1 3 389.463 3.622 20 30 GHEDHM C=CCC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734059 607391240 /nfs/dbraw/zinc/39/12/40/607391240.db2.gz HIWDOERZBYPAAK-IBGZPJMESA-N -1 3 376.464 3.716 20 30 GHEDHM C=CCC[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734059 607391242 /nfs/dbraw/zinc/39/12/42/607391242.db2.gz HIWDOERZBYPAAK-IBGZPJMESA-N -1 3 376.464 3.716 20 30 GHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000736662845 600595784 /nfs/dbraw/zinc/59/57/84/600595784.db2.gz SSJGMZHCYSZVNS-YVEFUNNKSA-N -1 3 378.350 3.976 20 30 GHEDHM N#Cc1cc(CNc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)ccn1 ZINC000826383802 607552625 /nfs/dbraw/zinc/55/26/25/607552625.db2.gz QWLFPXRPLXKOGC-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM N#Cc1cc(CNc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)ccn1 ZINC000826383802 607552627 /nfs/dbraw/zinc/55/26/27/607552627.db2.gz QWLFPXRPLXKOGC-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000822825702 606134588 /nfs/dbraw/zinc/13/45/88/606134588.db2.gz MANZYCRPMJLRHN-UHFFFAOYSA-N -1 3 387.424 3.824 20 30 GHEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000822825702 606134590 /nfs/dbraw/zinc/13/45/90/606134590.db2.gz MANZYCRPMJLRHN-UHFFFAOYSA-N -1 3 387.424 3.824 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1ccc(C)s1 ZINC000819743693 606183651 /nfs/dbraw/zinc/18/36/51/606183651.db2.gz OSMRDFHEOODZGN-UHFFFAOYSA-N -1 3 381.505 3.774 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1ccc(C)s1 ZINC000819743693 606183652 /nfs/dbraw/zinc/18/36/52/606183652.db2.gz OSMRDFHEOODZGN-UHFFFAOYSA-N -1 3 381.505 3.774 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(Cl)c(Cl)ccc21 ZINC000823504546 606307146 /nfs/dbraw/zinc/30/71/46/606307146.db2.gz RHOBZGLWJDXGFT-XVNBXDOJSA-N -1 3 379.228 3.894 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(Cl)c(Cl)ccc21 ZINC000823504546 606307148 /nfs/dbraw/zinc/30/71/48/606307148.db2.gz RHOBZGLWJDXGFT-XVNBXDOJSA-N -1 3 379.228 3.894 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819740164 606358747 /nfs/dbraw/zinc/35/87/47/606358747.db2.gz RSUXOOIBVCSKFC-CQSZACIVSA-N -1 3 380.404 3.546 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819740164 606358749 /nfs/dbraw/zinc/35/87/49/606358749.db2.gz RSUXOOIBVCSKFC-CQSZACIVSA-N -1 3 380.404 3.546 20 30 GHEDHM N#Cc1cccc(COc2ccc(Nc3ncccc3-c3nnn[n-]3)cc2F)c1 ZINC000822837805 606432959 /nfs/dbraw/zinc/43/29/59/606432959.db2.gz UBHRUHHOEQSBRG-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM N#Cc1cccc(COc2ccc(Nc3ncccc3-c3nn[n-]n3)cc2F)c1 ZINC000822837805 606432961 /nfs/dbraw/zinc/43/29/61/606432961.db2.gz UBHRUHHOEQSBRG-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000819745648 606484628 /nfs/dbraw/zinc/48/46/28/606484628.db2.gz NQVGKXSLMWWNFF-UHFFFAOYSA-N -1 3 396.401 3.528 20 30 GHEDHM N#Cc1ccc(-c2ccc(OC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000822823421 606487579 /nfs/dbraw/zinc/48/75/79/606487579.db2.gz PPTOHBIADKOLRS-UHFFFAOYSA-N -1 3 381.395 3.553 20 30 GHEDHM N#Cc1ccc(-c2ccc(OC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000822823421 606487581 /nfs/dbraw/zinc/48/75/81/606487581.db2.gz PPTOHBIADKOLRS-UHFFFAOYSA-N -1 3 381.395 3.553 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822842810 606497764 /nfs/dbraw/zinc/49/77/64/606497764.db2.gz ZVCPPOAZBLATCD-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822842810 606497765 /nfs/dbraw/zinc/49/77/65/606497765.db2.gz ZVCPPOAZBLATCD-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822801696 606510414 /nfs/dbraw/zinc/51/04/14/606510414.db2.gz MOJFTSOPIBZCQW-OAQYLSRUSA-N -1 3 394.438 3.703 20 30 GHEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822801696 606510415 /nfs/dbraw/zinc/51/04/15/606510415.db2.gz MOJFTSOPIBZCQW-OAQYLSRUSA-N -1 3 394.438 3.703 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000822822686 606533262 /nfs/dbraw/zinc/53/32/62/606533262.db2.gz BMBZAQJLIUQKAY-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)s1 ZINC000822822686 606533264 /nfs/dbraw/zinc/53/32/64/606533264.db2.gz BMBZAQJLIUQKAY-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(Cl)c1 ZINC000822833903 606589833 /nfs/dbraw/zinc/58/98/33/606589833.db2.gz ZXQIXSREKMOIMI-UHFFFAOYSA-N -1 3 377.738 3.572 20 30 GHEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(Cl)c1 ZINC000822833903 606589835 /nfs/dbraw/zinc/58/98/35/606589835.db2.gz ZXQIXSREKMOIMI-UHFFFAOYSA-N -1 3 377.738 3.572 20 30 GHEDHM N#Cc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000822825465 606599431 /nfs/dbraw/zinc/59/94/31/606599431.db2.gz GWZJIETWAZWQLF-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000822825465 606599432 /nfs/dbraw/zinc/59/94/32/606599432.db2.gz GWZJIETWAZWQLF-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000820556909 606628154 /nfs/dbraw/zinc/62/81/54/606628154.db2.gz WFTCQUJUOKZYDH-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1cccc(C#N)c1 ZINC000820556909 606628155 /nfs/dbraw/zinc/62/81/55/606628155.db2.gz WFTCQUJUOKZYDH-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM N#CC1(OC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000822801369 606801317 /nfs/dbraw/zinc/80/13/17/606801317.db2.gz HUFWWBGZJZSDMB-UHFFFAOYSA-N -1 3 377.429 3.621 20 30 GHEDHM N#CC1(OC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000822801369 606801319 /nfs/dbraw/zinc/80/13/19/606801319.db2.gz HUFWWBGZJZSDMB-UHFFFAOYSA-N -1 3 377.429 3.621 20 30 GHEDHM C#CCCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819693406 606955488 /nfs/dbraw/zinc/95/54/88/606955488.db2.gz RNJIRHCDXRPHTH-UHFFFAOYSA-N -1 3 375.432 3.501 20 30 GHEDHM C#CCCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819693406 606955489 /nfs/dbraw/zinc/95/54/89/606955489.db2.gz RNJIRHCDXRPHTH-UHFFFAOYSA-N -1 3 375.432 3.501 20 30 GHEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820120583 607200552 /nfs/dbraw/zinc/20/05/52/607200552.db2.gz FHHIMZSKLGOTOK-UHFFFAOYSA-N -1 3 395.854 3.834 20 30 GHEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820120583 607200553 /nfs/dbraw/zinc/20/05/53/607200553.db2.gz FHHIMZSKLGOTOK-UHFFFAOYSA-N -1 3 395.854 3.834 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826331953 607916915 /nfs/dbraw/zinc/91/69/15/607916915.db2.gz FJBARSPOMOJETH-LUAWRHEFSA-N -1 3 388.406 3.704 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826331953 607916916 /nfs/dbraw/zinc/91/69/16/607916916.db2.gz FJBARSPOMOJETH-LUAWRHEFSA-N -1 3 388.406 3.704 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccccc1 ZINC000823883005 607977777 /nfs/dbraw/zinc/97/77/77/607977777.db2.gz IHRVTQRNLSOKGM-HNNXBMFYSA-N -1 3 377.448 3.952 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccccc1 ZINC000823883005 607977778 /nfs/dbraw/zinc/97/77/78/607977778.db2.gz IHRVTQRNLSOKGM-HNNXBMFYSA-N -1 3 377.448 3.952 20 30 GHEDHM C=C[C@H](CC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)c1ccccc1 ZINC000823882590 608173518 /nfs/dbraw/zinc/17/35/18/608173518.db2.gz AFKPYVAWYVXWAY-CQSZACIVSA-N -1 3 387.447 3.535 20 30 GHEDHM C=C[C@H](CC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)c1ccccc1 ZINC000823882590 608173519 /nfs/dbraw/zinc/17/35/19/608173519.db2.gz AFKPYVAWYVXWAY-CQSZACIVSA-N -1 3 387.447 3.535 20 30 GHEDHM COc1cc(C(C)=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1F ZINC000826177473 608228933 /nfs/dbraw/zinc/22/89/33/608228933.db2.gz JVWJLNYVJCSDGU-UHFFFAOYSA-N -1 3 394.332 3.869 20 30 GHEDHM COc1cc(C(C)=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1F ZINC000826177473 608228934 /nfs/dbraw/zinc/22/89/34/608228934.db2.gz JVWJLNYVJCSDGU-UHFFFAOYSA-N -1 3 394.332 3.869 20 30 GHEDHM C=CCn1c(SCc2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccccc1 ZINC000823937414 608271769 /nfs/dbraw/zinc/27/17/69/608271769.db2.gz WTBDHOFBUNONSR-UHFFFAOYSA-N -1 3 375.461 3.604 20 30 GHEDHM C=CCn1c(SCc2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccccc1 ZINC000823937414 608271771 /nfs/dbraw/zinc/27/17/71/608271771.db2.gz WTBDHOFBUNONSR-UHFFFAOYSA-N -1 3 375.461 3.604 20 30 GHEDHM COc1ccc(C=CC(=O)c2cc(Cl)c(N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826190502 608288223 /nfs/dbraw/zinc/28/82/23/608288223.db2.gz DDKBRBXYFYKNFL-RQOWECAXSA-N -1 3 390.230 3.660 20 30 GHEDHM COc1ccc(C=CC(=O)c2cc(Cl)c(N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826190502 608288225 /nfs/dbraw/zinc/28/82/25/608288225.db2.gz DDKBRBXYFYKNFL-RQOWECAXSA-N -1 3 390.230 3.660 20 30 GHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475526 608288636 /nfs/dbraw/zinc/28/86/36/608288636.db2.gz ISWSGVCQTNIKBT-IZZDOVSWSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475526 608288638 /nfs/dbraw/zinc/28/86/38/608288638.db2.gz ISWSGVCQTNIKBT-IZZDOVSWSA-N -1 3 385.196 3.591 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000823838434 608300721 /nfs/dbraw/zinc/30/07/21/608300721.db2.gz QHNJYCTWIQUDBV-UHFFFAOYSA-N -1 3 389.459 3.886 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000823838434 608300723 /nfs/dbraw/zinc/30/07/23/608300723.db2.gz QHNJYCTWIQUDBV-UHFFFAOYSA-N -1 3 389.459 3.886 20 30 GHEDHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000824926704 608307246 /nfs/dbraw/zinc/30/72/46/608307246.db2.gz LGGDBXQUWUBPLR-QAPCUYQASA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000824926704 608307248 /nfs/dbraw/zinc/30/72/48/608307248.db2.gz LGGDBXQUWUBPLR-QAPCUYQASA-N -1 3 396.495 3.833 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1C(F)(F)F ZINC000823958125 608539575 /nfs/dbraw/zinc/53/95/75/608539575.db2.gz DFVNKSAVJPDHEP-UHFFFAOYSA-N -1 3 381.749 3.770 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1C(F)(F)F ZINC000823958125 608539576 /nfs/dbraw/zinc/53/95/76/608539576.db2.gz DFVNKSAVJPDHEP-UHFFFAOYSA-N -1 3 381.749 3.770 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCCCC2)cc1 ZINC000826400994 608878042 /nfs/dbraw/zinc/87/80/42/608878042.db2.gz MTBYOJXGSUYLPE-VZUCSPMQSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCCCC2)cc1 ZINC000826400994 608878043 /nfs/dbraw/zinc/87/80/43/608878043.db2.gz MTBYOJXGSUYLPE-VZUCSPMQSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400131 609270424 /nfs/dbraw/zinc/27/04/24/609270424.db2.gz QFCQSNCQTZTHMO-DJWKRKHSSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400131 609270425 /nfs/dbraw/zinc/27/04/25/609270425.db2.gz QFCQSNCQTZTHMO-DJWKRKHSSA-N -1 3 379.214 3.726 20 30 GHEDHM Cc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826256464 609271973 /nfs/dbraw/zinc/27/19/73/609271973.db2.gz KSWZEWIWTUJEFF-QPJJXVBHSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826256464 609271972 /nfs/dbraw/zinc/27/19/72/609271972.db2.gz KSWZEWIWTUJEFF-QPJJXVBHSA-N -1 3 387.212 3.973 20 30 GHEDHM O=C(C=Cc1ccc(F)c(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400595 609272478 /nfs/dbraw/zinc/27/24/78/609272478.db2.gz CBLRWNZJCSDPDX-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400595 609272480 /nfs/dbraw/zinc/27/24/80/609272480.db2.gz CBLRWNZJCSDPDX-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(Cl)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359474 609307747 /nfs/dbraw/zinc/30/77/47/609307747.db2.gz ICXMMHUTBXLKPA-DHZHZOJOSA-N -1 3 390.834 3.817 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(Cl)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359474 609307748 /nfs/dbraw/zinc/30/77/48/609307748.db2.gz ICXMMHUTBXLKPA-DHZHZOJOSA-N -1 3 390.834 3.817 20 30 GHEDHM C=CCN(CCc1ccco1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823903695 609409595 /nfs/dbraw/zinc/40/95/95/609409595.db2.gz HPJLVVZHFOAIDC-UHFFFAOYSA-N -1 3 388.884 3.541 20 30 GHEDHM C=CCN(CCc1ccco1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823903695 609409596 /nfs/dbraw/zinc/40/95/96/609409596.db2.gz HPJLVVZHFOAIDC-UHFFFAOYSA-N -1 3 388.884 3.541 20 30 GHEDHM COc1cc(F)c(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000826179698 609474169 /nfs/dbraw/zinc/47/41/69/609474169.db2.gz AFDBKNJEOJNLRJ-UHFFFAOYSA-N -1 3 390.806 3.513 20 30 GHEDHM COc1cc(F)c(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000826179698 609474172 /nfs/dbraw/zinc/47/41/72/609474172.db2.gz AFDBKNJEOJNLRJ-UHFFFAOYSA-N -1 3 390.806 3.513 20 30 GHEDHM C#CCCCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823841901 609551168 /nfs/dbraw/zinc/55/11/68/609551168.db2.gz UQBHZFXGRPJHFY-UHFFFAOYSA-N -1 3 389.459 3.968 20 30 GHEDHM C#CCCCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823841901 609551172 /nfs/dbraw/zinc/55/11/72/609551172.db2.gz UQBHZFXGRPJHFY-UHFFFAOYSA-N -1 3 389.459 3.968 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1cccc(C(F)(F)F)c1 ZINC000536126789 835029987 /nfs/dbraw/zinc/02/99/87/835029987.db2.gz FCAIWDNBBFOURK-INIZCTEOSA-N -1 3 391.374 3.797 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(F)c(Br)c(Cl)c1 ZINC000796818689 835948652 /nfs/dbraw/zinc/94/86/52/835948652.db2.gz PXCDGEIBOVGLNM-VIFPVBQESA-N -1 3 396.603 3.598 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000364507545 836032074 /nfs/dbraw/zinc/03/20/74/836032074.db2.gz RTWOPVRYPWXENR-UHFFFAOYSA-N -1 3 399.441 3.893 20 30 GHEDHM CC(C)Cn1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000892499541 836291392 /nfs/dbraw/zinc/29/13/92/836291392.db2.gz YBMVHPUVXDWVLR-CQSZACIVSA-N -1 3 379.247 3.807 20 30 GHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000170701172 836583502 /nfs/dbraw/zinc/58/35/02/836583502.db2.gz SFFGNQQYAXQNHA-UHFFFAOYSA-N -1 3 375.837 3.505 20 30 GHEDHM COc1cc(/C=C2\COc3c(F)cccc3C2=O)cc(Br)c1[O-] ZINC000120865311 836917452 /nfs/dbraw/zinc/91/74/52/836917452.db2.gz KFKHOIDEKVHBOE-BJMVGYQFSA-N -1 3 379.181 3.961 20 30 GHEDHM COc1cccc([C@H](C)c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000612916853 836959959 /nfs/dbraw/zinc/95/99/59/836959959.db2.gz APLOZBUYCIVIGA-LBPRGKRZSA-N -1 3 378.432 3.604 20 30 GHEDHM Cc1nc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)sc1SCC#N ZINC001143465878 837109169 /nfs/dbraw/zinc/10/91/69/837109169.db2.gz ZAVRMJDTJCEEAL-UHFFFAOYSA-N -1 3 384.389 3.814 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416044112 838455185 /nfs/dbraw/zinc/45/51/85/838455185.db2.gz IBIUWXKMSBOPMT-QGZVFWFLSA-N -1 3 399.441 3.720 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000050058974 839098309 /nfs/dbraw/zinc/09/83/09/839098309.db2.gz ZREMAOHVPJLNNJ-LBPRGKRZSA-N -1 3 376.815 3.893 20 30 GHEDHM N#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(Br)c1 ZINC000469059600 844432977 /nfs/dbraw/zinc/43/29/77/844432977.db2.gz VGMNNKUUSUSBRK-MRXNPFEDSA-N -1 3 391.240 3.998 20 30 GHEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000417633433 841072502 /nfs/dbraw/zinc/07/25/02/841072502.db2.gz BFMKKBMFAIRSMN-MEBBXXQBSA-N -1 3 379.279 3.934 20 30 GHEDHM O=S(=O)(NCc1ccco1)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255301796 841361336 /nfs/dbraw/zinc/36/13/36/841361336.db2.gz BDHFSBIHSYOXCI-UHFFFAOYSA-N -1 3 390.848 3.868 20 30 GHEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000600180764 861199050 /nfs/dbraw/zinc/19/90/50/861199050.db2.gz HVMFWHQCOABHCS-UHFFFAOYSA-N -1 3 388.471 3.966 20 30 GHEDHM Cc1cc(C)c(C#N)c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000603865917 861294735 /nfs/dbraw/zinc/29/47/35/861294735.db2.gz AKSAGLWYFGPTNR-UHFFFAOYSA-N -1 3 384.867 3.784 20 30 GHEDHM O=C(C1CCCCC1)N1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000255374644 842455637 /nfs/dbraw/zinc/45/56/37/842455637.db2.gz OGPRGTKOIAGOFQ-IWEBCOIVSA-N -1 3 379.298 3.755 20 30 GHEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392300 842493843 /nfs/dbraw/zinc/49/38/43/842493843.db2.gz AXQPNOROEVBDKR-GOSISDBHSA-N -1 3 384.443 3.566 20 30 GHEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)c1ccccc1 ZINC000120387566 843710865 /nfs/dbraw/zinc/71/08/65/843710865.db2.gz BMKPTIMNVQQLEU-FQEVSTJZSA-N -1 3 379.504 3.669 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)n1-c1nccs1 ZINC000429586119 843984130 /nfs/dbraw/zinc/98/41/30/843984130.db2.gz VOXWSJCECHXIPD-AWEZNQCLSA-N -1 3 376.445 3.620 20 30 GHEDHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)n1 ZINC000603974484 861521591 /nfs/dbraw/zinc/52/15/91/861521591.db2.gz WDCCHRCMUSRAHC-UHFFFAOYSA-N -1 3 386.864 3.815 20 30 GHEDHM N#Cc1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1F ZINC000513231714 845071648 /nfs/dbraw/zinc/07/16/48/845071648.db2.gz JXYHJUWVAPTEEX-UHFFFAOYSA-N -1 3 377.404 3.824 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000157665671 846058483 /nfs/dbraw/zinc/05/84/83/846058483.db2.gz WNNMUONIUXIPCX-UHFFFAOYSA-N -1 3 393.487 3.894 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3Cl)n2)c1 ZINC000127653667 847211359 /nfs/dbraw/zinc/21/13/59/847211359.db2.gz DCPRJCBJHZRSJO-HNNXBMFYSA-N -1 3 378.819 3.795 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000479442553 847631179 /nfs/dbraw/zinc/63/11/79/847631179.db2.gz UPQXHRKWDOCPKS-UHFFFAOYSA-N -1 3 390.436 3.762 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000503432530 847691729 /nfs/dbraw/zinc/69/17/29/847691729.db2.gz WDWTUTPXINSCIH-VXGBXAGGSA-N -1 3 380.819 3.859 20 30 GHEDHM COC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[n-]1 ZINC000555835410 861982935 /nfs/dbraw/zinc/98/29/35/861982935.db2.gz MSUAKBYYIPSVBN-UHFFFAOYSA-N -1 3 393.374 3.643 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc([O-])c(F)c3)c2)cc1 ZINC000132731401 862241784 /nfs/dbraw/zinc/24/17/84/862241784.db2.gz AQPVQJYFTADLHK-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)s1 ZINC000328797820 854560787 /nfs/dbraw/zinc/56/07/87/854560787.db2.gz FNDOWCBFROXYTD-UHFFFAOYSA-N -1 3 379.507 3.756 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)cc(=O)[n-]1 ZINC000328856427 854580176 /nfs/dbraw/zinc/58/01/76/854580176.db2.gz UGXWSQLNYHKNIO-PWIZWCRZSA-N -1 3 394.475 3.831 20 30 GHEDHM Cn1nccc1[C@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CCC(=O)N1C1CC1 ZINC000328947656 854613244 /nfs/dbraw/zinc/61/32/44/854613244.db2.gz KGHNPPQEPNFFSE-SCLBCKFNSA-N -1 3 388.855 3.509 20 30 GHEDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC000330247824 862693070 /nfs/dbraw/zinc/69/30/70/862693070.db2.gz YZVZCAYXDXFILM-CQSZACIVSA-N -1 3 380.872 3.689 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1N1CCCCCC1 ZINC000045894099 856111553 /nfs/dbraw/zinc/11/15/53/856111553.db2.gz HHWWUHBKLNYNAV-UHFFFAOYSA-N -1 3 392.503 3.815 20 30 GHEDHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2O1 ZINC000427745590 856659687 /nfs/dbraw/zinc/65/96/87/856659687.db2.gz OBGLCIGJIFYVCV-UHFFFAOYSA-N -1 3 380.828 3.865 20 30 GHEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000173742952 857128406 /nfs/dbraw/zinc/12/84/06/857128406.db2.gz RCVFSRHZXIFLGK-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(Cl)c1 ZINC000443094709 858373253 /nfs/dbraw/zinc/37/32/53/858373253.db2.gz PDEYGBSJSXWXSW-AWEZNQCLSA-N -1 3 379.825 3.549 20 30 GHEDHM CC1(C)CC(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C(=O)C1 ZINC000010120727 859253928 /nfs/dbraw/zinc/25/39/28/859253928.db2.gz IXZLVHWPYXGODA-UHFFFAOYSA-N -1 3 398.484 3.741 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC000593306260 859354023 /nfs/dbraw/zinc/35/40/23/859354023.db2.gz BFMOMFFNUSDPIG-SFHVURJKSA-N -1 3 395.478 3.971 20 30 GHEDHM Cc1csc([C@](O)(CC(=O)N([O-])Cc2ccccc2Cl)C(F)(F)F)n1 ZINC000904188840 860213998 /nfs/dbraw/zinc/21/39/98/860213998.db2.gz PZPYRSWTJURKNH-CQSZACIVSA-N -1 3 394.802 3.663 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282625194 863262751 /nfs/dbraw/zinc/26/27/51/863262751.db2.gz BEIPLZMHZZXBEH-MRXNPFEDSA-N -1 3 395.425 3.789 20 30 GHEDHM 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GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000788999925 878511493 /nfs/dbraw/zinc/51/14/93/878511493.db2.gz COPIRODUIYZZLA-UHFFFAOYSA-N -1 3 391.905 3.917 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccsc1Cl ZINC000790145476 879481783 /nfs/dbraw/zinc/48/17/83/879481783.db2.gz BVKIOYBTBYOHFU-GFCCVEGCSA-N -1 3 378.866 3.676 20 30 GHEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000003535464 912467104 /nfs/dbraw/zinc/46/71/04/912467104.db2.gz BZDIPSRAPVQHHI-MRXNPFEDSA-N -1 3 379.486 3.567 20 30 GHEDHM N#Cc1ccc(N(Cc2ccccc2)C(=O)c2cnc3ccccc3c2[O-])nc1 ZINC001129842646 883247730 /nfs/dbraw/zinc/24/77/30/883247730.db2.gz DOOLKYOKQDXKOO-UHFFFAOYSA-N -1 3 380.407 3.642 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccc(OC(C)C)cc2)no1 ZINC000761676746 883402555 /nfs/dbraw/zinc/40/25/55/883402555.db2.gz UYTLBBLOKXJUDO-UHFFFAOYSA-N -1 3 392.459 3.822 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c(Cl)c1 ZINC000191228926 884568197 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390.399 3.592 20 30 GHEDHM O=C(C1CCCCC1)N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000155050406 886119585 /nfs/dbraw/zinc/11/95/85/886119585.db2.gz OGPRGTKOIAGOFQ-MBTVCVBTSA-N -1 3 379.298 3.755 20 30 GHEDHM CCc1cccc(F)c1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000794470945 886760732 /nfs/dbraw/zinc/76/07/32/886760732.db2.gz NCARYIPOWHYHSE-KRWDZBQOSA-N -1 3 384.436 3.663 20 30 GHEDHM CS(=O)(=O)c1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ccc1F ZINC001184234935 913092720 /nfs/dbraw/zinc/09/27/20/913092720.db2.gz FHGAYXOZJZXLMB-UHFFFAOYSA-N -1 3 392.235 3.568 20 30 GHEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(F)F)c2)c(OC)cc1[O-] ZINC000763103413 887665194 /nfs/dbraw/zinc/66/51/94/887665194.db2.gz CNSHUTWPLMUPFE-GQCTYLIASA-N -1 3 380.343 3.916 20 30 GHEDHM CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794934523 888950124 /nfs/dbraw/zinc/95/01/24/888950124.db2.gz SXVBTLUBCLRDOM-PKNBQFBNSA-N -1 3 395.427 3.597 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000121687792 889091946 /nfs/dbraw/zinc/09/19/46/889091946.db2.gz AHUQMEVVVSIEGZ-MRXNPFEDSA-N -1 3 398.344 3.852 20 30 GHEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)C[C@@H](C)O1 ZINC000870314080 890308625 /nfs/dbraw/zinc/30/86/25/890308625.db2.gz CWLQEERNBJYMPX-MDZRGWNJSA-N -1 3 386.455 3.733 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)C)nc2C)cc1OC ZINC000916933731 890426017 /nfs/dbraw/zinc/42/60/17/890426017.db2.gz CKOMVBSPWYTAIY-CYBMUJFWSA-N -1 3 387.461 3.553 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cn1nc(C(F)F)cc1C1CC1 ZINC000873544326 891678707 /nfs/dbraw/zinc/67/87/07/891678707.db2.gz GUMLISHCJMONHF-HNNXBMFYSA-N -1 3 383.398 3.708 20 30 GHEDHM N#CC(C(=O)Cn1nc(C(F)F)cc1C1CC1)=C([O-])C1(c2ccccc2)CC1 ZINC000873544326 891678718 /nfs/dbraw/zinc/67/87/18/891678718.db2.gz GUMLISHCJMONHF-HNNXBMFYSA-N -1 3 383.398 3.708 20 30 GHEDHM C=CCNc1nc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000004492947 913695894 /nfs/dbraw/zinc/69/58/94/913695894.db2.gz 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ZINC000041785820 896750539 /nfs/dbraw/zinc/75/05/39/896750539.db2.gz LGVQALKBGRFRMP-UHFFFAOYSA-N -1 3 382.470 3.968 20 30 GHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)COc1ccccc1Br ZINC000130105988 896981180 /nfs/dbraw/zinc/98/11/80/896981180.db2.gz FVGIUYPFICNZHV-KMDAILJESA-N -1 3 384.657 3.667 20 30 GHEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 ZINC000820184939 897219235 /nfs/dbraw/zinc/21/92/35/897219235.db2.gz GBQJAGJVSASWNZ-HNNXBMFYSA-N -1 3 383.206 3.519 20 30 GHEDHM CC(C)(C)c1[n-]n(C[C@@H]2CN(Cc3ccccc3)CCCO2)c(=O)c1CCC#N ZINC000289354287 914156695 /nfs/dbraw/zinc/15/66/95/914156695.db2.gz HTUBJSWDGLBPSZ-IBGZPJMESA-N -1 3 396.535 3.633 20 30 GHEDHM N#Cc1cnc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(Cl)c1 ZINC000826387750 899264725 /nfs/dbraw/zinc/26/47/25/899264725.db2.gz OZSBOQOZFJAVKS-UHFFFAOYSA-N -1 3 382.758 3.957 20 30 GHEDHM N#Cc1cnc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(Cl)c1 ZINC000826387750 899264737 /nfs/dbraw/zinc/26/47/37/899264737.db2.gz OZSBOQOZFJAVKS-UHFFFAOYSA-N -1 3 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CC(C)(C)OC(=O)N1CC2(C1)CCC(C(=O)Nc1ccc([O-])c(C#N)c1)CC2 ZINC001181501979 910805255 /nfs/dbraw/zinc/80/52/55/910805255.db2.gz MBLJVBOVLDDLTB-UHFFFAOYSA-N -1 3 385.464 3.630 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(NC(C)(C)C)cn2)no1 ZINC000273880005 911078540 /nfs/dbraw/zinc/07/85/40/911078540.db2.gz LOIDOMMRDPWSND-UHFFFAOYSA-N -1 3 392.463 3.716 20 30 GHEDHM N#Cc1ccccc1N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000091792453 911283760 /nfs/dbraw/zinc/28/37/60/911283760.db2.gz ZQCHVMVYKVUOBU-UHFFFAOYSA-N -1 3 386.293 3.739 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC000774041904 911321922 /nfs/dbraw/zinc/32/19/22/911321922.db2.gz CHFQYWYBBPRLDR-CYBMUJFWSA-N -1 3 397.740 3.637 20 30 GHEDHM COC(=O)CN(Cc1ccc(O[C@@H](C)C#N)cc1)Cc1cc(Cl)ccc1[O-] ZINC000093277072 912153483 /nfs/dbraw/zinc/15/34/83/912153483.db2.gz DSGVOBBBPBFTAE-AWEZNQCLSA-N -1 3 388.851 3.512 20 30 GHEDHM Cc1ccc2c(c1)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C2 ZINC000294231520 916666548 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CCOC(=O)c1cc(C#N)c(NC(=O)c2c[nH]cc2-c2ccccc2)c(C)c1[O-] ZINC001191782618 918215884 /nfs/dbraw/zinc/21/58/84/918215884.db2.gz MIQKQNLQIBDVEV-UHFFFAOYSA-N -1 3 389.411 3.996 20 30 GHEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccc(C#N)cc1C(F)(F)F ZINC001192077235 918375136 /nfs/dbraw/zinc/37/51/36/918375136.db2.gz ISYFZXMHOWRDGA-UHFFFAOYSA-N -1 3 379.319 3.549 20 30 GHEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001192254732 918541439 /nfs/dbraw/zinc/54/14/39/918541439.db2.gz JYFRMJISOIJBDL-UHFFFAOYSA-N -1 3 384.748 3.690 20 30 GHEDHM Cc1ccc([C@@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F)o1 ZINC000654215772 918893895 /nfs/dbraw/zinc/89/38/95/918893895.db2.gz YLLWKCYABTXEFK-SNVBAGLBSA-N -1 3 383.235 3.912 20 30 GHEDHM CS(=O)(=O)Cc1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC000900095959 919839352 /nfs/dbraw/zinc/83/93/52/919839352.db2.gz MOTWMOPNJPXWMP-UHFFFAOYSA-N -1 3 388.272 3.570 20 30 GHEDHM Cc1cc(C)n(-c2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)n1 ZINC000298379158 920466720 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FNNVSJIKXRSFGR-UHFFFAOYSA-N -1 3 387.848 3.878 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCOC2)c1[O-] ZINC001123152302 935092681 /nfs/dbraw/zinc/09/26/81/935092681.db2.gz JRQARHZGLOOMAA-IAGOWNOFSA-N -1 3 395.507 3.544 20 30 GHEDHM C=CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1OC ZINC001588868672 984434268 /nfs/dbraw/zinc/43/42/68/984434268.db2.gz PMOVRZYJXZLLKE-GOSISDBHSA-N -1 3 391.851 3.838 20 30 GHEDHM C=CCN(CC=C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000468971999 1016293124 /nfs/dbraw/zinc/29/31/24/1016293124.db2.gz OVAGUJMSKHUQNZ-UHFFFAOYSA-N -1 3 381.657 3.758 20 30 GHEDHM N#Cc1cc(NC(=O)c2n[nH]c3ccc(OCc4ccccc4)cc32)ccc1[O-] ZINC001154851381 1032310014 /nfs/dbraw/zinc/31/00/14/1032310014.db2.gz DREHGORSXQCMLP-UHFFFAOYSA-N -1 3 384.395 3.971 20 30 GHEDHM O=[N+]([O-])c1c[nH]c2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)nc21 ZINC001155914352 1032791275 /nfs/dbraw/zinc/79/12/75/1032791275.db2.gz NCXUOHFECMGTGE-UHFFFAOYSA-N -1 3 381.270 3.618 20 30 GHEDHM [O-]N=C(Nc1ccnc(-c2cccnc2)n1)c1ccc(OC(F)(F)F)cc1 ZINC001155914194 1032791507 /nfs/dbraw/zinc/79/15/07/1032791507.db2.gz IWIGASNZSRRJNG-UHFFFAOYSA-N -1 3 375.310 3.685 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c2cccnc12 ZINC000042664328 1019388116 /nfs/dbraw/zinc/38/81/16/1019388116.db2.gz JXVJTYSBQFCVNR-UHFFFAOYSA-N -1 3 380.835 3.636 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OCCOC)c2)cc1 ZINC000802041751 1021470469 /nfs/dbraw/zinc/47/04/69/1021470469.db2.gz DPBIWGSQLFKAKM-YWZLYKJASA-N -1 3 395.459 3.581 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2cc(Br)ccc2F)c1[O-] ZINC000754684934 1022830108 /nfs/dbraw/zinc/83/01/08/1022830108.db2.gz CSQUOVVCWFUYJC-UDKNBNFDSA-N -1 3 381.245 3.540 20 30 GHEDHM Cc1ccc(C(C)C)c(OCC2N=NC(=S)N2N=Cc2ccc([O-])cn2)c1 ZINC000755609321 1023312400 /nfs/dbraw/zinc/31/24/00/1023312400.db2.gz QXINTTCFZZYGDL-UHFFFAOYSA-N -1 3 383.477 3.560 20 30 GHEDHM CCOCc1nc(C)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000839308838 1025794877 /nfs/dbraw/zinc/79/48/77/1025794877.db2.gz VHQLUQZHNRPYPA-UHFFFAOYSA-N -1 3 380.813 3.674 20 30 GHEDHM [O-]N=C(Nc1nc(C2CC2)nc2c1CCC2)c1ccc(OC(F)(F)F)cc1 ZINC001163765329 1026308093 /nfs/dbraw/zinc/30/80/93/1026308093.db2.gz COLJTRPEKYWBSJ-UHFFFAOYSA-N -1 3 378.354 3.989 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N(CCC#N)Cc2ccco2)s1 ZINC001142582293 1029093732 /nfs/dbraw/zinc/09/37/32/1029093732.db2.gz GNHQZTKSKODZCA-UHFFFAOYSA-N -1 3 376.438 3.639 20 30 GHEDHM Cc1cc(N(O)C(=Nc2ccc(F)c(Cl)c2)c2nonc2N)cc([O-])c1F ZINC001216079833 1029517794 /nfs/dbraw/zinc/51/77/94/1029517794.db2.gz WFDQFGPEWHRABI-UHFFFAOYSA-N -1 3 395.753 3.572 20 30 GHEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2C#Cc2ccccc2)c([O-])c1 ZINC001149310575 1030126061 /nfs/dbraw/zinc/12/60/61/1030126061.db2.gz DVNZSGCOKMCFJO-UHFFFAOYSA-N -1 3 398.462 3.859 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2sc(C(=O)Nc3ccc([O-])c(C#N)c3)cc21 ZINC001149939579 1030355541 /nfs/dbraw/zinc/35/55/41/1030355541.db2.gz IEYNRYFIKBUTRK-UHFFFAOYSA-N -1 3 385.445 3.875 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3c(s2)CCCC3)c(C)c1[O-] ZINC001150814506 1030667249 /nfs/dbraw/zinc/66/72/49/1030667249.db2.gz JWFLCWIHLOPCRH-UHFFFAOYSA-N -1 3 384.457 3.942 20 30 GHEDHM N#Cc1ccc(O[C@H]2CCCN(C(=O)c3c(O)cc4ccccc4c3[O-])C2)cc1 ZINC001154026732 1031884317 /nfs/dbraw/zinc/88/43/17/1031884317.db2.gz OKHMTYHPYZVEGZ-SFHVURJKSA-N -1 3 388.423 3.806 20 30 GHEDHM C#C[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(Cl)cc1F ZINC001157507921 1033625813 /nfs/dbraw/zinc/62/58/13/1033625813.db2.gz KTHPGVXATXRFCS-INIZCTEOSA-N -1 3 390.748 3.703 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC001208347633 1034866987 /nfs/dbraw/zinc/86/69/87/1034866987.db2.gz CIDXDLLAEVHCAH-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N([O-])Cc1ccc(F)cc1 ZINC001161843062 1035313922 /nfs/dbraw/zinc/31/39/22/1035313922.db2.gz ZGLVHLQPNBXWHU-UHFFFAOYSA-N -1 3 387.361 3.810 20 30 GHEDHM Cc1c(C(=O)Nc2ccccc2C#N)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444385 1035582732 /nfs/dbraw/zinc/58/27/32/1035582732.db2.gz ALJRIDROBXPGCQ-UHFFFAOYSA-N -1 3 380.411 3.966 20 30 GHEDHM Cc1c(C(=O)Nc2ccccc2C#N)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444385 1035582746 /nfs/dbraw/zinc/58/27/46/1035582746.db2.gz ALJRIDROBXPGCQ-UHFFFAOYSA-N -1 3 380.411 3.966 20 30 GHEDHM [O-]c1c(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cccc1C(F)(F)F ZINC001233415924 1039269588 /nfs/dbraw/zinc/26/95/88/1039269588.db2.gz OLUFSRTXGLPPLH-DGCLKSJQSA-N -1 3 375.284 3.638 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233505795 1039397294 /nfs/dbraw/zinc/39/72/94/1039397294.db2.gz GUDBHIPTITVJFD-CQSZACIVSA-N -1 3 397.822 3.649 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001233800423 1039625477 /nfs/dbraw/zinc/62/54/77/1039625477.db2.gz QDBGDOAYAZHVKZ-DABZTRAVSA-N -1 3 378.469 3.918 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3CCOc4ccc(Br)cc43)c12 ZINC001234510429 1040088359 /nfs/dbraw/zinc/08/83/59/1040088359.db2.gz AKLRNAVAPGMDCD-OAHLLOKOSA-N -1 3 398.216 3.872 20 30 GHEDHM N#C[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ccccc1F ZINC001234753850 1040282973 /nfs/dbraw/zinc/28/29/73/1040282973.db2.gz RXPDGCQZLGVOES-LJQANCHMSA-N -1 3 393.326 3.846 20 30 GHEDHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC001259112977 1044967194 /nfs/dbraw/zinc/96/71/94/1044967194.db2.gz WKRNPCYMEIKVEQ-UHFFFAOYSA-N -1 3 399.255 3.843 20 30 GHEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)cc1 ZINC001260045409 1045370943 /nfs/dbraw/zinc/37/09/43/1045370943.db2.gz PUALUCGLGNOWFK-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC001260461094 1045502161 /nfs/dbraw/zinc/50/21/61/1045502161.db2.gz LLDKDHHEKKRTMB-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c(F)c1 ZINC001260694783 1045612964 /nfs/dbraw/zinc/61/29/64/1045612964.db2.gz NKKRTELVAXFQMW-UHFFFAOYSA-N -1 3 383.828 3.764 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(F)c1 ZINC001260833466 1045702831 /nfs/dbraw/zinc/70/28/31/1045702831.db2.gz VUHFRUIOBHWKOA-UHFFFAOYSA-N -1 3 383.828 3.764 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC001261077201 1045892366 /nfs/dbraw/zinc/89/23/66/1045892366.db2.gz NXLCMELMZUMLDQ-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM C#C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC001299869134 1046074042 /nfs/dbraw/zinc/07/40/42/1046074042.db2.gz GNSNDZKSXQKEIB-GOTSBHOMSA-N -1 3 398.462 3.744 20 30 GHEDHM CC(C)n1nc(C(=O)N([O-])CCCCc2ccccc2)c2ccccc2c1=O ZINC001306896219 1048949832 /nfs/dbraw/zinc/94/98/32/1048949832.db2.gz OCZOQJIBEBMDTL-UHFFFAOYSA-N -1 3 379.460 3.832 20 30 GHEDHM C[C@H](CC(=O)N([O-])CCCCc1ccccc1)n1cc(Br)cn1 ZINC001306895903 1048949969 /nfs/dbraw/zinc/94/99/69/1048949969.db2.gz AJFAFWPDLXSUDE-CQSZACIVSA-N -1 3 380.286 3.837 20 30 GHEDHM O=C1[C@H](NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CCCN1[O-] ZINC001308845117 1050121015 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3.743 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(OC)c(Cl)c1 ZINC001318734172 1054832489 /nfs/dbraw/zinc/83/24/89/1054832489.db2.gz DAXWVQDHBHKZPD-UHFFFAOYSA-N -1 3 389.864 3.703 20 30 GHEDHM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000848135475 1056738690 /nfs/dbraw/zinc/73/86/90/1056738690.db2.gz MYWGHHWVPFTUQM-INIZCTEOSA-N -1 3 390.892 3.910 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000848138418 1056742845 /nfs/dbraw/zinc/74/28/45/1056742845.db2.gz MLYXREQCJQPXGE-INIZCTEOSA-N -1 3 396.340 3.622 20 30 GHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ncc(C(N)=O)cc3Cl)sc2[C@@H](C)C1 ZINC001327221539 1057624590 /nfs/dbraw/zinc/62/45/90/1057624590.db2.gz PCWPNBPUXQZZAA-BDAKNGLRSA-N -1 3 388.880 3.705 20 30 GHEDHM N#Cc1c(Br)cccc1OCC(=O)Nc1cc(Cl)ccc1[O-] ZINC001446524415 1059790080 /nfs/dbraw/zinc/79/00/80/1059790080.db2.gz HNDXRLSQRKLCMS-UHFFFAOYSA-N -1 3 381.613 3.697 20 30 GHEDHM O=C([N-][C@H](CO)CC(F)(F)F)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001446746541 1059847580 /nfs/dbraw/zinc/84/75/80/1059847580.db2.gz JSHGMQNPQMGKGR-TYXSZMRMSA-N -1 3 377.231 3.584 20 30 GHEDHM C=CC(C)(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001449456067 1060406267 /nfs/dbraw/zinc/40/62/67/1060406267.db2.gz SQONRMGBOKFRHL-UHFFFAOYSA-N -1 3 376.453 3.569 20 30 GHEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H](C)c1sc(CC)nc1C ZINC001346356073 1061528517 /nfs/dbraw/zinc/52/85/17/1061528517.db2.gz OZVQKUMPZLIGIG-CYBMUJFWSA-N -1 3 399.524 3.542 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC4CC3(C)C4)n2C[C@H]2CCOC2)c1[O-] ZINC001346569814 1061689317 /nfs/dbraw/zinc/68/93/17/1061689317.db2.gz NARCZSHYPRAOCC-LNCJBJJNSA-N -1 3 394.519 3.795 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)ccc1F ZINC001455924748 1062354608 /nfs/dbraw/zinc/35/46/08/1062354608.db2.gz CVMXDQVGYBXBQM-QAPCUYQASA-N -1 3 396.528 3.625 20 30 GHEDHM CCOc1ccc(N2C[C@@H](C(=O)N([O-])Cc3ccccc3Cl)CC2=O)cc1 ZINC001458001695 1063500141 /nfs/dbraw/zinc/50/01/41/1063500141.db2.gz FSKDMCXAAQXVIB-HNNXBMFYSA-N -1 3 388.851 3.510 20 30 GHEDHM Cc1cnc(F)c(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC001349345361 1063666668 /nfs/dbraw/zinc/66/66/68/1063666668.db2.gz HJZIUQAVWXOQBL-UHFFFAOYSA-N -1 3 385.449 3.797 20 30 GHEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001349702226 1063879314 /nfs/dbraw/zinc/87/93/14/1063879314.db2.gz NHUXALILTIJWGN-ZDUSSCGKSA-N -1 3 388.349 3.882 20 30 GHEDHM CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(F)c1[O-] ZINC001349768577 1063906278 /nfs/dbraw/zinc/90/62/78/1063906278.db2.gz WREBXYQZHZKUBB-UHFFFAOYSA-N -1 3 380.169 3.783 20 30 GHEDHM CCCCc1nc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C(=O)OCC)[n-]1 ZINC001458954352 1063967420 /nfs/dbraw/zinc/96/74/20/1063967420.db2.gz LIWMLVGSQRDICL-MRXNPFEDSA-N -1 3 382.464 3.955 20 30 GHEDHM C=C1CCC(C[N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC001464459543 1065022945 /nfs/dbraw/zinc/02/29/45/1065022945.db2.gz SLGSHDQUFLYHTL-UHFFFAOYSA-N -1 3 377.915 3.521 20 30 GHEDHM N#Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1[O-] ZINC001465334857 1065551735 /nfs/dbraw/zinc/55/17/35/1065551735.db2.gz QVSLVYMGIYWQTI-UHFFFAOYSA-N -1 3 389.499 3.925 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000847599734 1065724328 /nfs/dbraw/zinc/72/43/28/1065724328.db2.gz ORHQKJYDSRGVKL-UHFFFAOYSA-N -1 3 378.856 3.635 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccn(C(C)(C)C)n1 ZINC000847623461 1065774975 /nfs/dbraw/zinc/77/49/75/1065774975.db2.gz KSLGEFWEROWTLZ-LBPRGKRZSA-N -1 3 388.855 3.570 20 30 GHEDHM O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N([O-])CCCCc1ccccc1 ZINC001472619742 1073579707 /nfs/dbraw/zinc/57/97/07/1073579707.db2.gz DVLSLHNCXFATST-UHFFFAOYSA-N -1 3 376.460 3.999 20 30 GHEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)cccc1C#N)c1ccco1 ZINC001475080933 1074728179 /nfs/dbraw/zinc/72/81/79/1074728179.db2.gz OULDFSFKLOHBTI-LJQANCHMSA-N -1 3 382.441 3.536 20 30 GHEDHM COc1ccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cc1Cl ZINC001475659189 1074994737 /nfs/dbraw/zinc/99/47/37/1074994737.db2.gz CDJSFGMBBIQCGH-UHFFFAOYSA-N -1 3 392.889 3.913 20 30 GHEDHM N#Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1-c1nnn[n-]1 ZINC000737718829 598921819 /nfs/dbraw/zinc/92/18/19/598921819.db2.gz NHKYHSXLKWTTNE-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM N#Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1-c1nn[n-]n1 ZINC000737718829 598921821 /nfs/dbraw/zinc/92/18/21/598921821.db2.gz NHKYHSXLKWTTNE-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000735558342 598929492 /nfs/dbraw/zinc/92/94/92/598929492.db2.gz AFQCLLSBRKVAKW-VIFPVBQESA-N -1 3 387.230 3.787 20 30 GHEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000735558342 598929494 /nfs/dbraw/zinc/92/94/94/598929494.db2.gz AFQCLLSBRKVAKW-VIFPVBQESA-N -1 3 387.230 3.787 20 30 GHEDHM N#CCCCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822806925 599114217 /nfs/dbraw/zinc/11/42/17/599114217.db2.gz WEFJLFOBIZSCBA-SFQUDFHCSA-N -1 3 385.427 3.762 20 30 GHEDHM N#CCCCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822806925 599114220 /nfs/dbraw/zinc/11/42/20/599114220.db2.gz WEFJLFOBIZSCBA-SFQUDFHCSA-N -1 3 385.427 3.762 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc3c(cccc3Cl)s2)ccc1-c1nnn[n-]1 ZINC000737708572 599196473 /nfs/dbraw/zinc/19/64/73/599196473.db2.gz HGHMTROBOLZYFX-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc3c(cccc3Cl)s2)ccc1-c1nn[n-]n1 ZINC000737708572 599196474 /nfs/dbraw/zinc/19/64/74/599196474.db2.gz HGHMTROBOLZYFX-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735689938 599200945 /nfs/dbraw/zinc/20/09/45/599200945.db2.gz FGDZFVZPYGHIQT-MRXNPFEDSA-N -1 3 396.838 3.590 20 30 GHEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735689938 599200947 /nfs/dbraw/zinc/20/09/47/599200947.db2.gz FGDZFVZPYGHIQT-MRXNPFEDSA-N -1 3 396.838 3.590 20 30 GHEDHM COc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000737074999 598314457 /nfs/dbraw/zinc/31/44/57/598314457.db2.gz ZWQAQAORTHRLNK-UHFFFAOYSA-N -1 3 394.332 3.869 20 30 GHEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000737074999 598314459 /nfs/dbraw/zinc/31/44/59/598314459.db2.gz ZWQAQAORTHRLNK-UHFFFAOYSA-N -1 3 394.332 3.869 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCc2sccc21 ZINC000819743109 607350032 /nfs/dbraw/zinc/35/00/32/607350032.db2.gz CSGXRHYYNUNFQN-QGZVFWFLSA-N -1 3 379.489 3.563 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCc2sccc21 ZINC000819743109 607350034 /nfs/dbraw/zinc/35/00/34/607350034.db2.gz CSGXRHYYNUNFQN-QGZVFWFLSA-N -1 3 379.489 3.563 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202364 598378460 /nfs/dbraw/zinc/37/84/60/598378460.db2.gz LRTNDMVRZCQISJ-HJWRWDBZSA-N -1 3 387.365 3.838 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202364 598378463 /nfs/dbraw/zinc/37/84/63/598378463.db2.gz LRTNDMVRZCQISJ-HJWRWDBZSA-N -1 3 387.365 3.838 20 30 GHEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000736192838 598607615 /nfs/dbraw/zinc/60/76/15/598607615.db2.gz NXHNIRMNNNBILC-MRVPVSSYSA-N -1 3 391.382 3.588 20 30 GHEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000736192838 598607617 /nfs/dbraw/zinc/60/76/17/598607617.db2.gz NXHNIRMNNNBILC-MRVPVSSYSA-N -1 3 391.382 3.588 20 30 GHEDHM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccoc1C ZINC000735449830 598642324 /nfs/dbraw/zinc/64/23/24/598642324.db2.gz TVPXZQHMFFSDCH-UHFFFAOYSA-N -1 3 397.439 3.644 20 30 GHEDHM C=CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccoc1C ZINC000735449830 598642326 /nfs/dbraw/zinc/64/23/26/598642326.db2.gz TVPXZQHMFFSDCH-UHFFFAOYSA-N -1 3 397.439 3.644 20 30 GHEDHM CC(C)CN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735827577 598667489 /nfs/dbraw/zinc/66/74/89/598667489.db2.gz QSSKTYPTUJOIDC-UHFFFAOYSA-N -1 3 390.447 3.671 20 30 GHEDHM CC(C)CN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735827577 598667491 /nfs/dbraw/zinc/66/74/91/598667491.db2.gz QSSKTYPTUJOIDC-UHFFFAOYSA-N -1 3 390.447 3.671 20 30 GHEDHM C=CCN(Cc1nc2c(cccc2F)n1CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426895 598683460 /nfs/dbraw/zinc/68/34/60/598683460.db2.gz ZIPCTKATGQDCHT-UHFFFAOYSA-N -1 3 391.454 3.564 20 30 GHEDHM C=CCN(Cc1nc2c(cccc2F)n1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426895 598683462 /nfs/dbraw/zinc/68/34/62/598683462.db2.gz ZIPCTKATGQDCHT-UHFFFAOYSA-N -1 3 391.454 3.564 20 30 GHEDHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000736152390 598735370 /nfs/dbraw/zinc/73/53/70/598735370.db2.gz UGAYXFYOTBAQSV-OAHLLOKOSA-N -1 3 391.431 3.592 20 30 GHEDHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000736152390 598735371 /nfs/dbraw/zinc/73/53/71/598735371.db2.gz UGAYXFYOTBAQSV-OAHLLOKOSA-N -1 3 391.431 3.592 20 30 GHEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1SC[C@@H](C)C#N ZINC000821736155 607371297 /nfs/dbraw/zinc/37/12/97/607371297.db2.gz DFLPWDFALJAPAZ-ZDUSSCGKSA-N -1 3 380.477 3.739 20 30 GHEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1SC[C@@H](C)C#N ZINC000821736155 607371300 /nfs/dbraw/zinc/37/13/00/607371300.db2.gz DFLPWDFALJAPAZ-ZDUSSCGKSA-N -1 3 380.477 3.739 20 30 GHEDHM N#Cc1cc(NCCSCc2ccccc2-c2nnn[n-]2)nc2ccccc12 ZINC000737709929 599397314 /nfs/dbraw/zinc/39/73/14/599397314.db2.gz OLZKZVRPCKZRRE-UHFFFAOYSA-N -1 3 387.472 3.632 20 30 GHEDHM N#Cc1cc(NCCSCc2ccccc2-c2nn[n-]n2)nc2ccccc12 ZINC000737709929 599397317 /nfs/dbraw/zinc/39/73/17/599397317.db2.gz OLZKZVRPCKZRRE-UHFFFAOYSA-N -1 3 387.472 3.632 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c3c(cccc31)CC2 ZINC000737808510 599461882 /nfs/dbraw/zinc/46/18/82/599461882.db2.gz USVNTHBVDLPACV-CSKARUKUSA-N -1 3 392.422 3.662 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c3c(cccc31)CC2 ZINC000737808510 599461886 /nfs/dbraw/zinc/46/18/86/599461886.db2.gz USVNTHBVDLPACV-CSKARUKUSA-N -1 3 392.422 3.662 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc3c2OC(C)(C)C3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203410 599537402 /nfs/dbraw/zinc/53/74/02/599537402.db2.gz UDUZNYJMEHFKCB-KTKRTIGZSA-N -1 3 389.459 3.532 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc3c2OC(C)(C)C3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203410 599537405 /nfs/dbraw/zinc/53/74/05/599537405.db2.gz UDUZNYJMEHFKCB-KTKRTIGZSA-N -1 3 389.459 3.532 20 30 GHEDHM N#CCN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000737693758 599574083 /nfs/dbraw/zinc/57/40/83/599574083.db2.gz RNTZXEYVFMATBZ-UHFFFAOYSA-N -1 3 387.447 3.519 20 30 GHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nnn[n-]4)cc3F)C2=O)c(F)c1 ZINC000822825449 607455085 /nfs/dbraw/zinc/45/50/85/607455085.db2.gz GISFDHHDRRXSRN-SRKDFGFSSA-N -1 3 389.365 3.846 20 30 GHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nn[n-]n4)cc3F)C2=O)c(F)c1 ZINC000822825449 607455086 /nfs/dbraw/zinc/45/50/86/607455086.db2.gz GISFDHHDRRXSRN-SRKDFGFSSA-N -1 3 389.365 3.846 20 30 GHEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)S1 ZINC000822293550 607456559 /nfs/dbraw/zinc/45/65/59/607456559.db2.gz BSXXHGLQGWYBTQ-DHDCSXOGSA-N -1 3 394.435 3.514 20 30 GHEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)S1 ZINC000822293550 607456560 /nfs/dbraw/zinc/45/65/60/607456560.db2.gz BSXXHGLQGWYBTQ-DHDCSXOGSA-N -1 3 394.435 3.514 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832877754 601206400 /nfs/dbraw/zinc/20/64/00/601206400.db2.gz XTIOPDGUTQAXNM-AVRDEDQJSA-N -1 3 393.487 3.602 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@@H](C)c1ccccc1 ZINC000823909497 607536923 /nfs/dbraw/zinc/53/69/23/607536923.db2.gz GNKVHYFSFLVMMN-QGZVFWFLSA-N -1 3 375.476 3.965 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@@H](C)c1ccccc1 ZINC000823909497 607536924 /nfs/dbraw/zinc/53/69/24/607536924.db2.gz GNKVHYFSFLVMMN-QGZVFWFLSA-N -1 3 375.476 3.965 20 30 GHEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cc(Cl)ccc1Cl ZINC000824763009 607710239 /nfs/dbraw/zinc/71/02/39/607710239.db2.gz JJCZJLHEEYNLOE-ZETCQYMHSA-N -1 3 392.275 3.876 20 30 GHEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cc(Cl)ccc1Cl ZINC000824763009 607710240 /nfs/dbraw/zinc/71/02/40/607710240.db2.gz JJCZJLHEEYNLOE-ZETCQYMHSA-N -1 3 392.275 3.876 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000819742880 606150479 /nfs/dbraw/zinc/15/04/79/606150479.db2.gz BJSRLJRDFMLTAD-SNAWJCMRSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000819742880 606150480 /nfs/dbraw/zinc/15/04/80/606150480.db2.gz BJSRLJRDFMLTAD-SNAWJCMRSA-N -1 3 377.423 3.624 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)c1 ZINC000822837392 606511383 /nfs/dbraw/zinc/51/13/83/606511383.db2.gz MRSIBXAYVYJSNQ-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)c1 ZINC000822837392 606511385 /nfs/dbraw/zinc/51/13/85/606511385.db2.gz MRSIBXAYVYJSNQ-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000822832417 606552324 /nfs/dbraw/zinc/55/23/24/606552324.db2.gz ANNULRYFKMBIHR-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000822832417 606552325 /nfs/dbraw/zinc/55/23/25/606552325.db2.gz ANNULRYFKMBIHR-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM C=CCSCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819759141 606787002 /nfs/dbraw/zinc/78/70/02/606787002.db2.gz OXXJENMYDVJUOY-UHFFFAOYSA-N -1 3 395.488 3.616 20 30 GHEDHM C=CCSCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819759141 606787004 /nfs/dbraw/zinc/78/70/04/606787004.db2.gz OXXJENMYDVJUOY-UHFFFAOYSA-N -1 3 395.488 3.616 20 30 GHEDHM CC(C)c1nc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c2ccccn21 ZINC000820203490 606819916 /nfs/dbraw/zinc/81/99/16/606819916.db2.gz UTLSTMRZYNURJB-NTCAYCPXSA-N -1 3 384.443 3.850 20 30 GHEDHM COc1ccc(C=CC(=O)c2cc(C)ccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000821787773 606820894 /nfs/dbraw/zinc/82/08/94/606820894.db2.gz ZUWAWCSJONFVDQ-XQRVVYSFSA-N -1 3 386.358 3.681 20 30 GHEDHM COc1ccc(C=CC(=O)c2cc(C)ccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000821787773 606820896 /nfs/dbraw/zinc/82/08/96/606820896.db2.gz ZUWAWCSJONFVDQ-XQRVVYSFSA-N -1 3 386.358 3.681 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822241472 607013776 /nfs/dbraw/zinc/01/37/76/607013776.db2.gz XOELFKCOPFDVSC-HNNXBMFYSA-N -1 3 392.488 3.603 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822241472 607013777 /nfs/dbraw/zinc/01/37/77/607013777.db2.gz XOELFKCOPFDVSC-HNNXBMFYSA-N -1 3 392.488 3.603 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2c[nH]nc2-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000826368246 607888710 /nfs/dbraw/zinc/88/87/10/607888710.db2.gz IVFDSPUJLFBMEG-UHFFFAOYSA-N -1 3 398.352 3.722 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2c[nH]nc2-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000826368246 607888711 /nfs/dbraw/zinc/88/87/11/607888711.db2.gz IVFDSPUJLFBMEG-UHFFFAOYSA-N -1 3 398.352 3.722 20 30 GHEDHM CC(=NNc1ccc(Br)cc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823958071 608094702 /nfs/dbraw/zinc/09/47/02/608094702.db2.gz AQZZATPIXCDQAN-UHFFFAOYSA-N -1 3 377.271 3.835 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823837409 608300457 /nfs/dbraw/zinc/30/04/57/608300457.db2.gz DBRGYMSIIIJAQY-UHFFFAOYSA-N -1 3 379.395 3.930 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823837409 608300458 /nfs/dbraw/zinc/30/04/58/608300458.db2.gz DBRGYMSIIIJAQY-UHFFFAOYSA-N -1 3 379.395 3.930 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cccc(F)c1F ZINC000823910018 608340031 /nfs/dbraw/zinc/34/00/31/608340031.db2.gz WFASYUOFUXCYEA-CYBMUJFWSA-N -1 3 398.417 3.604 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cccc(F)c1F ZINC000823910018 608340033 /nfs/dbraw/zinc/34/00/33/608340033.db2.gz WFASYUOFUXCYEA-CYBMUJFWSA-N -1 3 398.417 3.604 20 30 GHEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000824227947 608497156 /nfs/dbraw/zinc/49/71/56/608497156.db2.gz CJDHDLPHGNOOME-AWEZNQCLSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000824227947 608497157 /nfs/dbraw/zinc/49/71/57/608497157.db2.gz CJDHDLPHGNOOME-AWEZNQCLSA-N -1 3 392.488 3.686 20 30 GHEDHM C=CCC[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000823894159 608537231 /nfs/dbraw/zinc/53/72/31/608537231.db2.gz JAHAEMYRVDMZKP-SFHVURJKSA-N -1 3 387.447 3.714 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(F)c(-c2nnn[n-]2)c1)CC3 ZINC000826212235 608883641 /nfs/dbraw/zinc/88/36/41/608883641.db2.gz KRCPVTVBTOGNPV-WQLSENKSSA-N -1 3 389.390 3.708 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(F)c(-c2nn[n-]n2)c1)CC3 ZINC000826212235 608883642 /nfs/dbraw/zinc/88/36/42/608883642.db2.gz KRCPVTVBTOGNPV-WQLSENKSSA-N -1 3 389.390 3.708 20 30 GHEDHM CCCC[C@H](ON=C(C)C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825268365 609268170 /nfs/dbraw/zinc/26/81/70/609268170.db2.gz UCYXNUPLLZGMIG-YJBOKZPZSA-N -1 3 386.500 3.747 20 30 GHEDHM CCCC[C@H](ON=C(C)C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825268365 609268171 /nfs/dbraw/zinc/26/81/71/609268171.db2.gz UCYXNUPLLZGMIG-YJBOKZPZSA-N -1 3 386.500 3.747 20 30 GHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Br ZINC000826285581 609270073 /nfs/dbraw/zinc/27/00/73/609270073.db2.gz DCIBMUFGCODAPJ-DAXSKMNVSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000826285581 609270074 /nfs/dbraw/zinc/27/00/74/609270074.db2.gz DCIBMUFGCODAPJ-DAXSKMNVSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000826266734 609270186 /nfs/dbraw/zinc/27/01/86/609270186.db2.gz ZHLWFKYBKIFUKR-CLTKARDFSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1Br ZINC000826266734 609270188 /nfs/dbraw/zinc/27/01/88/609270188.db2.gz ZHLWFKYBKIFUKR-CLTKARDFSA-N -1 3 387.212 3.973 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC(F)F)c1 ZINC000826190640 609271826 /nfs/dbraw/zinc/27/18/26/609271826.db2.gz IBOAYQOKNQCPAL-DAXSKMNVSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC(F)F)c1 ZINC000826190640 609271827 /nfs/dbraw/zinc/27/18/27/609271827.db2.gz IBOAYQOKNQCPAL-DAXSKMNVSA-N -1 3 390.321 3.512 20 30 GHEDHM CCCCCC[C@H](C)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825270586 609305344 /nfs/dbraw/zinc/30/53/44/609305344.db2.gz ACSFHXZRQUFANQ-HNNXBMFYSA-N -1 3 380.500 3.550 20 30 GHEDHM CCCCCC[C@H](C)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825270586 609305346 /nfs/dbraw/zinc/30/53/46/609305346.db2.gz ACSFHXZRQUFANQ-HNNXBMFYSA-N -1 3 380.500 3.550 20 30 GHEDHM Cc1ccc2[nH]c3c(c2c1)CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)CC3 ZINC000826293561 609413532 /nfs/dbraw/zinc/41/35/32/609413532.db2.gz TZIIOQHAYIMPNZ-UHFFFAOYSA-N -1 3 392.854 3.662 20 30 GHEDHM Cc1ccc2[nH]c3c(c2c1)CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)CC3 ZINC000826293561 609413533 /nfs/dbraw/zinc/41/35/33/609413533.db2.gz TZIIOQHAYIMPNZ-UHFFFAOYSA-N -1 3 392.854 3.662 20 30 GHEDHM CCCn1ccc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc21 ZINC000175271964 834416456 /nfs/dbraw/zinc/41/64/56/834416456.db2.gz CJUCNZMJXAPICP-UHFFFAOYSA-N -1 3 376.460 3.799 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000143597533 834798422 /nfs/dbraw/zinc/79/84/22/834798422.db2.gz AOJKOTDKSXJJCX-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000579877496 835848776 /nfs/dbraw/zinc/84/87/76/835848776.db2.gz MULWIXIUNKTNKQ-QMTHXVAHSA-N -1 3 391.718 3.853 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1c(F)cccc1Cl ZINC000177655383 836961221 /nfs/dbraw/zinc/96/12/21/836961221.db2.gz HTBRIGFMHBAQJU-GFCCVEGCSA-N -1 3 376.815 3.893 20 30 GHEDHM COCCCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000471336777 837285287 /nfs/dbraw/zinc/28/52/87/837285287.db2.gz PUNHCFPWHVLZBB-NRFANRHFSA-N -1 3 395.503 3.883 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000279071532 842549303 /nfs/dbraw/zinc/54/93/03/842549303.db2.gz KDEDFISTMXAOJI-UHFFFAOYSA-N -1 3 393.447 3.884 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)n1-c1nccs1 ZINC000429586121 843984076 /nfs/dbraw/zinc/98/40/76/843984076.db2.gz VOXWSJCECHXIPD-CQSZACIVSA-N -1 3 376.445 3.620 20 30 GHEDHM N#Cc1ccc(Nc2cccc(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)c2)cc1 ZINC000535879354 844984736 /nfs/dbraw/zinc/98/47/36/844984736.db2.gz GSYAVPGZGFBWBK-UHFFFAOYSA-N -1 3 380.411 3.761 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C ZINC000183906666 847536076 /nfs/dbraw/zinc/53/60/76/847536076.db2.gz IOVPNEARYCKSOW-RCDICMHDSA-N -1 3 377.488 3.626 20 30 GHEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cn1 ZINC000502499134 847960582 /nfs/dbraw/zinc/96/05/82/847960582.db2.gz FKSBBZQYXNBTEO-NSHDSACASA-N -1 3 398.488 3.600 20 30 GHEDHM C=CCn1c(Sc2nc3ccccc3c(=O)[n-]2)nnc1-c1ccc(OC)cc1 ZINC000731920852 861961043 /nfs/dbraw/zinc/96/10/43/861961043.db2.gz XWRRGSXTUOBXAN-UHFFFAOYSA-N -1 3 391.456 3.940 20 30 GHEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1C ZINC000514784607 850283020 /nfs/dbraw/zinc/28/30/20/850283020.db2.gz HFYIDDHRAOCPOT-UHFFFAOYSA-N -1 3 388.489 3.622 20 30 GHEDHM N#CC1(CCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCOCC1 ZINC000281084900 851456204 /nfs/dbraw/zinc/45/62/04/851456204.db2.gz WVDZAYMDNCNUPS-UHFFFAOYSA-N -1 3 395.488 3.714 20 30 GHEDHM N#Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])cnc1C(F)(F)F ZINC000490667004 853170367 /nfs/dbraw/zinc/17/03/67/853170367.db2.gz BRKKFWDPQRTTPR-UHFFFAOYSA-N -1 3 386.127 3.692 20 30 GHEDHM CCO[C@H](CS(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 ZINC000600649732 862495198 /nfs/dbraw/zinc/49/51/98/862495198.db2.gz XDGYNHPYOWALOQ-HXUWFJFHSA-N -1 3 386.473 3.907 20 30 GHEDHM C[C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1=O ZINC000328972385 854637156 /nfs/dbraw/zinc/63/71/56/854637156.db2.gz VKKVVBVQELDOKD-JSGCOSHPSA-N -1 3 392.883 3.878 20 30 GHEDHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3cccc(CC#N)c3)c2O1 ZINC000589592815 855075488 /nfs/dbraw/zinc/07/54/88/855075488.db2.gz OOGOTWCCAPTLBF-UHFFFAOYSA-N -1 3 376.865 3.920 20 30 GHEDHM N#Cc1ccc(F)c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000054829693 855211027 /nfs/dbraw/zinc/21/10/27/855211027.db2.gz ZBLFRBXRGSICQT-UHFFFAOYSA-N -1 3 377.404 3.824 20 30 GHEDHM C=C1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CC1 ZINC000520493945 855479123 /nfs/dbraw/zinc/47/91/23/855479123.db2.gz SRHZPOORFWCLQH-UHFFFAOYSA-N -1 3 384.501 3.896 20 30 GHEDHM N#Cc1ccc(CSCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000485129432 856127386 /nfs/dbraw/zinc/12/73/86/856127386.db2.gz ZSUFPEVLBWRZTH-UHFFFAOYSA-N -1 3 389.440 3.961 20 30 GHEDHM O=C(C/N=C\c1cc(Br)ccc1[O-])OCc1ccccc1Cl ZINC000733205060 862778675 /nfs/dbraw/zinc/77/86/75/862778675.db2.gz IZTLSSZFUNGAJE-UWVJOHFNSA-N -1 3 382.641 3.970 20 30 GHEDHM C=CCOc1ccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1 ZINC000046066797 856464939 /nfs/dbraw/zinc/46/49/39/856464939.db2.gz UHUZWAVRRQZFAU-UHFFFAOYSA-N -1 3 375.428 3.816 20 30 GHEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)CCCCC1 ZINC000592381730 856826827 /nfs/dbraw/zinc/82/68/27/856826827.db2.gz CFMIMZASROBZOR-UHFFFAOYSA-N -1 3 391.718 3.748 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(OC)c1OC ZINC000592973926 857143831 /nfs/dbraw/zinc/14/38/31/857143831.db2.gz LFMNBCIXEIVPFR-LBPRGKRZSA-N -1 3 386.404 3.951 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc2c1OCCC2)c1cccc(C(F)(F)F)c1 ZINC000593276087 857475441 /nfs/dbraw/zinc/47/54/41/857475441.db2.gz MXILTAWNRQVXNJ-HNNXBMFYSA-N -1 3 396.390 3.574 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1nc2ccccc2o1)C1CC1 ZINC001129107728 857650162 /nfs/dbraw/zinc/65/01/62/857650162.db2.gz HSIKRLZEUOCIHO-UHFFFAOYSA-N -1 3 376.416 3.545 20 30 GHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000574695291 858165842 /nfs/dbraw/zinc/16/58/42/858165842.db2.gz IGKXKFISKZIGKH-UHFFFAOYSA-N -1 3 395.868 3.867 20 30 GHEDHM N#CC1(c2ccc(CN[C@H](CC(=O)[O-])c3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000594691072 858255671 /nfs/dbraw/zinc/25/56/71/858255671.db2.gz PQJYISSIZYZQAK-OAQYLSRUSA-N -1 3 386.455 3.733 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)sc1Cl ZINC000594866006 858290828 /nfs/dbraw/zinc/29/08/28/858290828.db2.gz WHJVKBBEJIZBJN-UHFFFAOYSA-N -1 3 396.921 3.566 20 30 GHEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000595844479 858692242 /nfs/dbraw/zinc/69/22/42/858692242.db2.gz FTFFOLUCIRKRMX-MELADBBJSA-N -1 3 387.505 3.714 20 30 GHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnc(-c4ncccn4)s3)sc2C1 ZINC000522187834 858788517 /nfs/dbraw/zinc/78/85/17/858788517.db2.gz VZJXNGMOWIIMJX-JTQLQIEISA-N -1 3 381.486 3.910 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC000593219758 859047082 /nfs/dbraw/zinc/04/70/82/859047082.db2.gz XTJMTNPNXIUAEL-AWEZNQCLSA-N -1 3 383.517 3.848 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=Cc1cnc(C)s1 ZINC000112483933 859141586 /nfs/dbraw/zinc/14/15/86/859141586.db2.gz FAUCBGSAKSJZTO-MUBLQREKSA-N -1 3 389.864 3.783 20 30 GHEDHM CCOc1cc(CN2CCN(c3ccsc3C#N)CC2)cc(Cl)c1[O-] ZINC000597182489 859341626 /nfs/dbraw/zinc/34/16/26/859341626.db2.gz CLLATTJDJHUCPQ-UHFFFAOYSA-N -1 3 377.897 3.700 20 30 GHEDHM CCC(=NNC(=S)Nc1ccc(OC)c(OC)c1)c1ccc([O-])c(F)c1 ZINC000764665963 859558294 /nfs/dbraw/zinc/55/82/94/859558294.db2.gz HJLFQGKNZUJOCC-UHFFFAOYSA-N -1 3 377.441 3.649 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cscc1Br ZINC000597719006 859762782 /nfs/dbraw/zinc/76/27/82/859762782.db2.gz DNSDGEIYSKZNQV-UHFFFAOYSA-N -1 3 380.267 3.671 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cn3ccccc3n2)cc1 ZINC000727058374 859911286 /nfs/dbraw/zinc/91/12/86/859911286.db2.gz LOUYAVYUSOHEJD-UHFFFAOYSA-N -1 3 391.456 3.581 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c(Cl)c1 ZINC000444036291 863192813 /nfs/dbraw/zinc/19/28/13/863192813.db2.gz SMICSULSAMIDTO-UHFFFAOYSA-N -1 3 389.908 3.998 20 30 GHEDHM Cc1nonc1C(=O)[N-]c1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000733921002 863880527 /nfs/dbraw/zinc/88/05/27/863880527.db2.gz YEJALXYMULOBFU-UHFFFAOYSA-N -1 3 393.350 3.568 20 30 GHEDHM C=CCOc1c(Br)cc(CNCc2ncccc2[O-])cc1OCC ZINC000475354418 864842190 /nfs/dbraw/zinc/84/21/90/864842190.db2.gz ZBZXFBPHCOCFMN-UHFFFAOYSA-N -1 3 393.281 3.803 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)CCc2ccc(Br)cc2)c1[O-] ZINC000920174367 881883229 /nfs/dbraw/zinc/88/32/29/881883229.db2.gz ZZTUHNSZNAFTFR-QDBSGRMGSA-N -1 3 377.282 3.791 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000121374348 866119809 /nfs/dbraw/zinc/11/98/09/866119809.db2.gz UQUHTCNHUHOKDF-QFIPXVFZSA-N -1 3 395.478 3.983 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)cnc1OC(C)C ZINC000456198654 866216981 /nfs/dbraw/zinc/21/69/81/866216981.db2.gz FUVISQVQOQORAL-UHFFFAOYSA-N -1 3 388.855 3.683 20 30 GHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2(c3ccc(C#N)cc3)CC2)[nH][n-]1 ZINC000444696983 867079562 /nfs/dbraw/zinc/07/95/62/867079562.db2.gz XNALREWZCOJVIC-UHFFFAOYSA-N -1 3 392.846 3.703 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C(C)(C)c2ccccc2)CC1 ZINC000456812883 867168869 /nfs/dbraw/zinc/16/88/69/867168869.db2.gz NWQLUECQMIAVJN-UHFFFAOYSA-N -1 3 377.488 3.835 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)ccc1C#N ZINC000766547816 871015463 /nfs/dbraw/zinc/01/54/63/871015463.db2.gz NIKWWWZUAZYAOW-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM N#Cc1cccc(NC(=O)C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC000775668778 872593388 /nfs/dbraw/zinc/59/33/88/872593388.db2.gz LHLVTOGMEOXGPD-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM N#Cc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000619770478 873009291 /nfs/dbraw/zinc/00/92/91/873009291.db2.gz WKUBXWNABDFYJF-UHFFFAOYSA-N -1 3 394.656 3.679 20 30 GHEDHM COC(=O)C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(OC)cc1OC ZINC000768268952 873199323 /nfs/dbraw/zinc/19/93/23/873199323.db2.gz KCJOJLBFPUYMGD-SJJOQSKNSA-N -1 3 377.824 3.786 20 30 GHEDHM N#Cc1cnc(C[N-]S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)s1 ZINC001197197183 873646952 /nfs/dbraw/zinc/64/69/52/873646952.db2.gz ZAOVLPFRHSVDOY-QURGRASLSA-N -1 3 383.458 3.909 20 30 GHEDHM Cc1cc(C(F)(F)F)ncc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000464669016 874296664 /nfs/dbraw/zinc/29/66/64/874296664.db2.gz NIONFXDIAWUDLM-UHFFFAOYSA-N -1 3 378.354 3.569 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccccc1N1CCCCC1)[n-]c2=O ZINC000769807399 874299304 /nfs/dbraw/zinc/29/93/04/874299304.db2.gz LSPCZMAPMAXWMH-UHFFFAOYSA-N -1 3 393.495 3.723 20 30 GHEDHM N#Cc1cc(NC(=O)c2cn(Cc3ccccc3C(F)(F)F)cn2)ccc1[O-] ZINC001198389140 874384995 /nfs/dbraw/zinc/38/49/95/874384995.db2.gz VAKKREDOGWJWES-UHFFFAOYSA-N -1 3 386.333 3.780 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775929066 874787526 /nfs/dbraw/zinc/78/75/26/874787526.db2.gz IPOPLLYRSINFKD-GFCCVEGCSA-N -1 3 379.865 3.867 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(NC(C)=O)c2)cc1 ZINC000528920129 875272042 /nfs/dbraw/zinc/27/20/42/875272042.db2.gz RDYCBDXEUVXGSI-SCLBCKFNSA-N -1 3 378.432 3.515 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(Oc2ccncc2)cc1)c1ccc(F)cc1 ZINC001201634743 875777047 /nfs/dbraw/zinc/77/70/47/875777047.db2.gz PFWYJLAUFWXJMP-IBGZPJMESA-N -1 3 383.404 3.556 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)cc1 ZINC001201623469 875798650 /nfs/dbraw/zinc/79/86/50/875798650.db2.gz QCZDMXLOSALKNE-UHFFFAOYSA-N -1 3 380.425 3.687 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1ncccc1N1CCOCC1 ZINC001201834661 875896022 /nfs/dbraw/zinc/89/60/22/875896022.db2.gz RSOLTHYLEIJHRG-UHFFFAOYSA-N -1 3 383.558 3.801 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1coc2ccccc12 ZINC000746556828 876213513 /nfs/dbraw/zinc/21/35/13/876213513.db2.gz CTWFWZGPELSEET-QGZVFWFLSA-N -1 3 378.413 3.708 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(F)cc2)c(F)c1 ZINC000610082766 877376555 /nfs/dbraw/zinc/37/65/55/877376555.db2.gz FCMVAVJEJAJGLD-HXUWFJFHSA-N -1 3 384.407 3.904 20 30 GHEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n1 ZINC000451174441 877517170 /nfs/dbraw/zinc/51/71/70/877517170.db2.gz XGPNVBJTCCGWEZ-UHFFFAOYSA-N -1 3 383.926 3.639 20 30 GHEDHM COc1ccc([C@@H]2C[C@H]2COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000851268420 877553863 /nfs/dbraw/zinc/55/38/63/877553863.db2.gz SYTDRNFOXMMAPA-LPHOPBHVSA-N -1 3 380.444 3.564 20 30 GHEDHM Cc1cc(Cl)cc(C=Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1[O-] ZINC000788453217 878076121 /nfs/dbraw/zinc/07/61/21/878076121.db2.gz ABQPYOATUYHYTL-UHFFFAOYSA-N -1 3 394.656 3.649 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@](C)(c1ccccc1)C(F)(F)F ZINC000537753320 878243139 /nfs/dbraw/zinc/24/31/39/878243139.db2.gz TUINZPHWBHHARX-LJQANCHMSA-N -1 3 391.393 3.802 20 30 GHEDHM C=CCCC1(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000852471350 878347118 /nfs/dbraw/zinc/34/71/18/878347118.db2.gz LYUBUYAVBFOKEA-HNNXBMFYSA-N -1 3 389.462 3.613 20 30 GHEDHM O=C(CCc1ccc(Br)cc1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000068844111 879089692 /nfs/dbraw/zinc/08/96/92/879089692.db2.gz ZOZNPKRYPPHCJU-UHFFFAOYSA-N -1 3 381.127 3.946 20 30 GHEDHM O=C(CCc1ccc(Br)cc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000068844111 879089701 /nfs/dbraw/zinc/08/97/01/879089701.db2.gz ZOZNPKRYPPHCJU-UHFFFAOYSA-N -1 3 381.127 3.946 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 ZINC001212294643 879650558 /nfs/dbraw/zinc/65/05/58/879650558.db2.gz KXVKXNGHRRRGEM-CYBMUJFWSA-N -1 3 385.228 3.554 20 30 GHEDHM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1OC ZINC000185629726 880640282 /nfs/dbraw/zinc/64/02/82/880640282.db2.gz OYPPUDTVXVOULV-HNNXBMFYSA-N -1 3 399.454 3.820 20 30 GHEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1C ZINC000791772125 880670021 /nfs/dbraw/zinc/67/00/21/880670021.db2.gz WNUGCXGHUKNAJD-GFCCVEGCSA-N -1 3 387.779 3.526 20 30 GHEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cccc([O-])c1Br ZINC001275210555 912656243 /nfs/dbraw/zinc/65/62/43/912656243.db2.gz UNGSCFSCSGWENW-LJQANCHMSA-N -1 3 393.325 3.688 20 30 GHEDHM COc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1OCCCC#N ZINC000551055186 883193483 /nfs/dbraw/zinc/19/34/83/883193483.db2.gz ISNQCFCEUJYOBQ-JOCHJYFZSA-N -1 3 398.434 3.533 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N(CCC#N)Cc3ccco3)cc2)cc(=O)[n-]1 ZINC000609677794 883535452 /nfs/dbraw/zinc/53/54/52/883535452.db2.gz PPMWSTGMTVWCHG-UHFFFAOYSA-N -1 3 377.404 3.698 20 30 GHEDHM CCOc1cccc([C@@H](CC)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000175302994 883584085 /nfs/dbraw/zinc/58/40/85/883584085.db2.gz ATKZZNWLDMPTKI-HXUWFJFHSA-N -1 3 382.460 3.889 20 30 GHEDHM C=CCCCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000805219483 883698839 /nfs/dbraw/zinc/69/88/39/883698839.db2.gz MYHQHMKNOZJPQH-UHFFFAOYSA-N -1 3 393.484 3.821 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)CCCCC1 ZINC000475795173 883904654 /nfs/dbraw/zinc/90/46/54/883904654.db2.gz WXJHHUZYLPBIOV-MRXNPFEDSA-N -1 3 375.519 3.626 20 30 GHEDHM N#Cc1cc(NC(=O)CCCOc2ccc(Br)cc2)ccc1[O-] ZINC001183760215 912771409 /nfs/dbraw/zinc/77/14/09/912771409.db2.gz MUVMWUPHDYEUFI-UHFFFAOYSA-N -1 3 375.222 3.824 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1coc(-c2cccc(F)c2)n1 ZINC000914581426 884247625 /nfs/dbraw/zinc/24/76/25/884247625.db2.gz XJWUDPBSQFGJIG-UHFFFAOYSA-N -1 3 395.390 3.746 20 30 GHEDHM COc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1Cl ZINC000556565620 885482063 /nfs/dbraw/zinc/48/20/63/885482063.db2.gz CFBMPIUTWFTGDE-JTQLQIEISA-N -1 3 376.750 3.978 20 30 GHEDHM CC(=NNc1nc2ccccc2[n-]c1=S)c1ccc(N2CCOCC2)cc1 ZINC000863129042 886883088 /nfs/dbraw/zinc/88/30/88/886883088.db2.gz SLEPUPHARFULRI-UHFFFAOYSA-N -1 3 379.489 3.965 20 30 GHEDHM [O-]c1ccc(F)c(C=NN2C(=S)N=NC2CSc2ccccc2)c1F ZINC000794530475 887095997 /nfs/dbraw/zinc/09/59/97/887095997.db2.gz MKUYNOPJRDMWDD-UHFFFAOYSA-N -1 3 378.429 3.725 20 30 GHEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000053368683 887265113 /nfs/dbraw/zinc/26/51/13/887265113.db2.gz BMQHGMJHYWPNPO-NSHDSACASA-N -1 3 379.486 3.521 20 30 GHEDHM CC[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC[C@H]1c1ccccc1 ZINC000173529538 887353295 /nfs/dbraw/zinc/35/32/95/887353295.db2.gz GQCOTLNJAFITPU-GHTZIAJQSA-N -1 3 391.515 3.838 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Br)c(F)c1 ZINC000119620095 887368142 /nfs/dbraw/zinc/36/81/42/887368142.db2.gz GRORBPPPZGDIDY-NSHDSACASA-N -1 3 391.196 3.558 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cnn3ccccc23)cc1 ZINC000729638879 887390098 /nfs/dbraw/zinc/39/00/98/887390098.db2.gz KFGMWGHAYDVEGL-UHFFFAOYSA-N -1 3 391.456 3.581 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1 ZINC000119641327 887391766 /nfs/dbraw/zinc/39/17/66/887391766.db2.gz QDWDMOOGOKPXCD-UGSOOPFHSA-N -1 3 397.500 3.859 20 30 GHEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(CC)CC)no1 ZINC000809400217 887399481 /nfs/dbraw/zinc/39/94/81/887399481.db2.gz WANFQLFMGZIQGC-HNNXBMFYSA-N -1 3 390.509 3.943 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001184293070 913143016 /nfs/dbraw/zinc/14/30/16/913143016.db2.gz CZNODHIVMQLARY-AVRDEDQJSA-N -1 3 388.508 3.874 20 30 GHEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(OC)c2Cl)c(OC)cc1[O-] ZINC000763107667 887670156 /nfs/dbraw/zinc/67/01/56/887670156.db2.gz VWWCCFAAEHKQHD-FNORWQNLSA-N -1 3 378.808 3.976 20 30 GHEDHM O=C([O-])CC[C@@H](CNCc1cccc(F)c1OC(F)(F)F)C(F)(F)F ZINC000864514023 887818675 /nfs/dbraw/zinc/81/86/75/887818675.db2.gz JPFAVVXEJFZTCS-VIFPVBQESA-N -1 3 377.256 3.857 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000191737325 888285223 /nfs/dbraw/zinc/28/52/23/888285223.db2.gz KZNCKJFOXFFXBJ-UHFFFAOYSA-N -1 3 396.447 3.697 20 30 GHEDHM Cc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 ZINC000763211430 888305851 /nfs/dbraw/zinc/30/58/51/888305851.db2.gz SKDCCNDXVIICNU-LBPRGKRZSA-N -1 3 388.518 3.614 20 30 GHEDHM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000130436634 888326966 /nfs/dbraw/zinc/32/69/66/888326966.db2.gz MACJGTXZPVJQFC-INIZCTEOSA-N -1 3 393.226 3.972 20 30 GHEDHM C=CCOc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000916320539 888922482 /nfs/dbraw/zinc/92/24/82/888922482.db2.gz AIECEPKOYLNSAH-GOSISDBHSA-N -1 3 394.456 3.526 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000811186376 889273062 /nfs/dbraw/zinc/27/30/62/889273062.db2.gz LYHIPOABAXOROU-GJZGRUSLSA-N -1 3 388.423 3.840 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000811186572 889273448 /nfs/dbraw/zinc/27/34/48/889273448.db2.gz QRUHGBIMOAPHCJ-UHFFFAOYSA-N -1 3 381.413 3.611 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1c(F)cccc1Cl ZINC000747686766 889304055 /nfs/dbraw/zinc/30/40/55/889304055.db2.gz XPEVJHVAPPOYKQ-UHFFFAOYSA-N -1 3 376.815 3.787 20 30 GHEDHM Fc1ccc(C=CC=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000747747331 890016686 /nfs/dbraw/zinc/01/66/86/890016686.db2.gz RCUSUHKKCQLBNU-NJRBQCKISA-N -1 3 382.420 3.766 20 30 GHEDHM Cc1nc([C@H]2CCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000870136987 890226804 /nfs/dbraw/zinc/22/68/04/890226804.db2.gz UIZQLDITAYLGCB-FZMZJTMJSA-N -1 3 389.864 3.570 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccc(Cn2cccn2)o1 ZINC000916919537 890390378 /nfs/dbraw/zinc/39/03/78/890390378.db2.gz XLWFPFGYNVABLM-GOSISDBHSA-N -1 3 384.395 3.639 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1 ZINC000916910400 890411374 /nfs/dbraw/zinc/41/13/74/890411374.db2.gz SUKNDDQHOAZJFB-QGZVFWFLSA-N -1 3 387.395 3.844 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CSc2ccccc2)cc1 ZINC000916942906 890580623 /nfs/dbraw/zinc/58/06/23/890580623.db2.gz PFCZAMJCSVPNTG-QFQMRYFISA-N -1 3 394.452 3.817 20 30 GHEDHM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000872339585 891242142 /nfs/dbraw/zinc/24/21/42/891242142.db2.gz QOCJTMPYGYRKAC-GOSISDBHSA-N -1 3 391.518 3.507 20 30 GHEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OCC ZINC000825637955 891376829 /nfs/dbraw/zinc/37/68/29/891376829.db2.gz CPUUKWWPGKNASS-WEVVVXLNSA-N -1 3 382.395 3.699 20 30 GHEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OCC ZINC000825637955 891376837 /nfs/dbraw/zinc/37/68/37/891376837.db2.gz CPUUKWWPGKNASS-WEVVVXLNSA-N -1 3 382.395 3.699 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1[O-] ZINC000917556915 892203799 /nfs/dbraw/zinc/20/37/99/892203799.db2.gz RHNODVVWZNMZEY-UHFFFAOYSA-N -1 3 393.418 3.659 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)ccc1N1CCCC1 ZINC001185226775 913741593 /nfs/dbraw/zinc/74/15/93/913741593.db2.gz FVLFYHQIRXHFET-UHFFFAOYSA-N -1 3 394.456 3.614 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2nc3c(s2)CCC3)cc1 ZINC000814829926 893223230 /nfs/dbraw/zinc/22/32/30/893223230.db2.gz PFMXXMOCLBFVAW-UHFFFAOYSA-N -1 3 398.513 3.879 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815906710 894282091 /nfs/dbraw/zinc/28/20/91/894282091.db2.gz HHGAEVKXCTUKTI-ZDUSSCGKSA-N -1 3 392.724 3.587 20 30 GHEDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC001185613700 913991678 /nfs/dbraw/zinc/99/16/78/913991678.db2.gz FIFMNPGRVIQWKO-IINYFYTJSA-N -1 3 395.278 3.516 20 30 GHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1cc(F)ncc1C(F)(F)F ZINC001185707986 914062172 /nfs/dbraw/zinc/06/21/72/914062172.db2.gz JJBQVIPHAHHWLU-UHFFFAOYSA-N -1 3 387.296 3.820 20 30 GHEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000820174992 897214230 /nfs/dbraw/zinc/21/42/30/897214230.db2.gz QCHQTHKZYIDFAO-ZDUSSCGKSA-N -1 3 381.215 3.506 20 30 GHEDHM C=CCN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000569097514 898340363 /nfs/dbraw/zinc/34/03/63/898340363.db2.gz OTKNMAIASREVIZ-UHFFFAOYSA-N -1 3 397.500 3.646 20 30 GHEDHM N#CC1(COC(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826379948 898807727 /nfs/dbraw/zinc/80/77/27/898807727.db2.gz HYFFYRKBHRGYNQ-UHFFFAOYSA-N -1 3 391.456 3.620 20 30 GHEDHM N#CC1(COC(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826379948 898807734 /nfs/dbraw/zinc/80/77/34/898807734.db2.gz HYFFYRKBHRGYNQ-UHFFFAOYSA-N -1 3 391.456 3.620 20 30 GHEDHM N#CC1(COC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)CC1 ZINC000826379953 898807883 /nfs/dbraw/zinc/80/78/83/898807883.db2.gz ICWCADPYXPLLNP-UHFFFAOYSA-N -1 3 395.806 3.773 20 30 GHEDHM Fc1nc(F)c(F)c(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1F ZINC000826379733 898816031 /nfs/dbraw/zinc/81/60/31/898816031.db2.gz ZVZYXOIYXICZRL-UHFFFAOYSA-N -1 3 395.263 3.988 20 30 GHEDHM Fc1nc(F)c(F)c(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1F ZINC000826379733 898816040 /nfs/dbraw/zinc/81/60/40/898816040.db2.gz ZVZYXOIYXICZRL-UHFFFAOYSA-N -1 3 395.263 3.988 20 30 GHEDHM COc1ccc(C/N=C/c2cc(Br)ccc2[O-])c(OC)c1OC ZINC000044012588 899095239 /nfs/dbraw/zinc/09/52/39/899095239.db2.gz FNSSJOPOAPXGDQ-VXLYETTFSA-N -1 3 380.238 3.800 20 30 GHEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400408 899769752 /nfs/dbraw/zinc/76/97/52/899769752.db2.gz YNBYQYDFPKRYKN-ALCCZGGFSA-N -1 3 396.332 3.570 20 30 GHEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400408 899769762 /nfs/dbraw/zinc/76/97/62/899769762.db2.gz YNBYQYDFPKRYKN-ALCCZGGFSA-N -1 3 396.332 3.570 20 30 GHEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(Cl)c1 ZINC000573837468 900651621 /nfs/dbraw/zinc/65/16/21/900651621.db2.gz RVAAFUJHWPNGHM-OAHLLOKOSA-N -1 3 385.272 3.531 20 30 GHEDHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000844655086 901113970 /nfs/dbraw/zinc/11/39/70/901113970.db2.gz PUTSVGYPTIQCHA-MRXNPFEDSA-N -1 3 399.516 3.514 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000264682640 903309136 /nfs/dbraw/zinc/30/91/36/903309136.db2.gz DEUCTDCNTKVNSW-UHFFFAOYSA-N -1 3 395.478 3.829 20 30 GHEDHM CCOc1cc(/C=C2\c3ccc(C#N)cc3NC2=O)cc(Br)c1[O-] ZINC000773160535 904507072 /nfs/dbraw/zinc/50/70/72/904507072.db2.gz NJZUCFVYMBBVQV-WLRTZDKTSA-N -1 3 385.217 3.918 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000777304292 905772112 /nfs/dbraw/zinc/77/21/12/905772112.db2.gz NYQZDQCCKNWDKI-GOEBONIOSA-N -1 3 380.448 3.522 20 30 GHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cnn(-c4cccc(Cl)c4)n3)[nH]c21 ZINC000777328071 906141614 /nfs/dbraw/zinc/14/16/14/906141614.db2.gz QBTWBDJWPWLPFQ-AWEZNQCLSA-N -1 3 376.807 3.596 20 30 GHEDHM C=CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000628482166 906164261 /nfs/dbraw/zinc/16/42/61/906164261.db2.gz GMGWIHWILLWGGC-OAHLLOKOSA-N -1 3 388.464 3.665 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(Oc3ccccc3)cn2)cc1 ZINC000773768302 909213770 /nfs/dbraw/zinc/21/37/70/909213770.db2.gz FNPBFNJLHHBNDH-GOSISDBHSA-N -1 3 386.411 3.792 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2cccc(C#Cc3cccs3)c2)c(=O)[n-]1 ZINC000637308548 909778700 /nfs/dbraw/zinc/77/87/00/909778700.db2.gz DAZNXQQXIGBBLB-UHFFFAOYSA-N -1 3 377.469 3.832 20 30 GHEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3SCC#N)nc21 ZINC001180282623 910072458 /nfs/dbraw/zinc/07/24/58/910072458.db2.gz VXJBBRPUMKTVDP-UHFFFAOYSA-N -1 3 380.429 3.608 20 30 GHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nc1 ZINC000774050327 911285013 /nfs/dbraw/zinc/28/50/13/911285013.db2.gz FQVHUVFKFLJRBK-CYBMUJFWSA-N -1 3 375.787 3.622 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c(C)c1[O-] ZINC001182289818 911425383 /nfs/dbraw/zinc/42/53/83/911425383.db2.gz WZJCKQQKJBRONL-CABCVRRESA-N -1 3 382.391 3.630 20 30 GHEDHM N#Cc1cccc2[nH]cc(CC(=O)NCc3cc(Cl)c4cccnc4c3[O-])c21 ZINC001182582537 911885533 /nfs/dbraw/zinc/88/55/33/911885533.db2.gz CHIMUOFNTVCNDG-UHFFFAOYSA-N -1 3 390.830 3.806 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C[C@@H]2CCc3ccc(F)cc32)c(C)c1[O-] ZINC001182593320 911899487 /nfs/dbraw/zinc/89/94/87/911899487.db2.gz NQRBAJZQBJXXJB-AWEZNQCLSA-N -1 3 396.418 3.947 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(F)(F)c2ccc(F)cc2)c(C)c1[O-] ZINC001182889861 912115811 /nfs/dbraw/zinc/11/58/11/912115811.db2.gz BOECZGCTXHXQHH-UHFFFAOYSA-N -1 3 392.333 3.619 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1cnc2cc(C(F)(F)F)nn2c1 ZINC001187994363 915672398 /nfs/dbraw/zinc/67/23/98/915672398.db2.gz JMVWWUUNFLWZHZ-UHFFFAOYSA-N -1 3 378.420 3.850 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc1F ZINC001188886318 916276175 /nfs/dbraw/zinc/27/61/75/916276175.db2.gz PRUHUOZXHKRCGE-UHFFFAOYSA-N -1 3 387.367 3.825 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2CCCCN2c2ccccc21 ZINC000294502339 916834068 /nfs/dbraw/zinc/83/40/68/916834068.db2.gz YAQJQSXVJXYGIT-QGZVFWFLSA-N -1 3 390.487 3.614 20 30 GHEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC001189773873 916908682 /nfs/dbraw/zinc/90/86/82/916908682.db2.gz OQTYMTLVKSHVRR-UHFFFAOYSA-N -1 3 391.699 3.514 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1F ZINC001189991718 917050081 /nfs/dbraw/zinc/05/00/81/917050081.db2.gz JDQZNTPZLUXIAW-UHFFFAOYSA-N -1 3 398.259 3.934 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccnc(C(F)(F)F)c2)C2CC2)c1 ZINC001190678058 917507763 /nfs/dbraw/zinc/50/77/63/917507763.db2.gz ZLPISLSGQPJRMA-MRXNPFEDSA-N -1 3 399.369 3.541 20 30 GHEDHM Cc1nc(CCCNCc2cc(C#N)ccc2Br)sc1C(=O)[O-] ZINC000900022771 919758190 /nfs/dbraw/zinc/75/81/90/919758190.db2.gz LRSZIVAKSGOSTE-UHFFFAOYSA-N -1 3 394.294 3.506 20 30 GHEDHM O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901374285 921050656 /nfs/dbraw/zinc/05/06/56/921050656.db2.gz HXSFPCDHWTXPAH-UHFFFAOYSA-N -1 3 377.437 3.574 20 30 GHEDHM Cc1ccc(-n2nc(C(=O)N([O-])Cc3ccc(F)cc3)c3c2CCC3)c(F)c1 ZINC000901374604 921052187 /nfs/dbraw/zinc/05/21/87/921052187.db2.gz MZLPBFYBHKLZEX-UHFFFAOYSA-N -1 3 383.398 3.979 20 30 GHEDHM O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380292 921058442 /nfs/dbraw/zinc/05/84/42/921058442.db2.gz RUWCBLWGVNMDJB-CQSZACIVSA-N -1 3 383.206 3.976 20 30 GHEDHM Cc1cc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc(C)c1OCC(=O)[O-] ZINC000902390256 922154181 /nfs/dbraw/zinc/15/41/81/922154181.db2.gz FDSLIGXUWUQREW-UHFFFAOYSA-N -1 3 391.389 3.927 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001137353983 924951518 /nfs/dbraw/zinc/95/15/18/924951518.db2.gz PLXJXYAYAQIZFN-OAHLLOKOSA-N -1 3 385.197 3.807 20 30 GHEDHM N#CC(=C([O-])c1ccc(Cl)c(N2CCCC2=O)c1)c1cnc2ccccc2n1 ZINC000682995736 926322210 /nfs/dbraw/zinc/32/22/10/926322210.db2.gz ZXGCPZJAMKQIAP-CQSZACIVSA-N -1 3 390.830 3.900 20 30 GHEDHM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000751135349 928044811 /nfs/dbraw/zinc/04/48/11/928044811.db2.gz WIKAPZAKFUQSBJ-UHFFFAOYSA-N -1 3 377.282 3.708 20 30 GHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cnn(-c4ccc(Cl)cc4)n3)[nH]c21 ZINC000752504978 928853959 /nfs/dbraw/zinc/85/39/59/928853959.db2.gz KFBYWMYBMKSNSP-CQSZACIVSA-N -1 3 376.807 3.596 20 30 GHEDHM CC(C)CN(CCC#N)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780915666 930637606 /nfs/dbraw/zinc/63/76/06/930637606.db2.gz VYZFUTTZKOQERJ-OAQYLSRUSA-N -1 3 393.487 3.652 20 30 GHEDHM COc1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc(Br)c1[O-] ZINC000207553857 932790866 /nfs/dbraw/zinc/79/08/66/932790866.db2.gz OHBCYSLITCSBEJ-RQOWECAXSA-N -1 3 391.217 3.831 20 30 GHEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC001121546219 934692726 /nfs/dbraw/zinc/69/27/26/934692726.db2.gz OEPUUEBYNHKAKY-UHFFFAOYSA-N -1 3 390.447 3.690 20 30 GHEDHM C=C1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC(C)(C)CC)CC1 ZINC001573296238 947043441 /nfs/dbraw/zinc/04/34/41/947043441.db2.gz LUZNAAGCYKNMPZ-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C=C1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC(C)(C)CC)CC1 ZINC001573296238 947043451 /nfs/dbraw/zinc/04/34/51/947043451.db2.gz LUZNAAGCYKNMPZ-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@](C)(CC)C1 ZINC001573296953 947057754 /nfs/dbraw/zinc/05/77/54/947057754.db2.gz CHKZMVCREAWMFT-LJQANCHMSA-N -1 3 398.902 3.504 20 30 GHEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@](C)(CC)C1 ZINC001573296953 947057766 /nfs/dbraw/zinc/05/77/66/947057766.db2.gz CHKZMVCREAWMFT-LJQANCHMSA-N -1 3 398.902 3.504 20 30 GHEDHM C=C(C)[C@H](NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001573298104 947070197 /nfs/dbraw/zinc/07/01/97/947070197.db2.gz AMFLCWLOBCMVGV-SFHVURJKSA-N -1 3 398.417 3.570 20 30 GHEDHM C=C(C)[C@H](NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001573298104 947070207 /nfs/dbraw/zinc/07/02/07/947070207.db2.gz AMFLCWLOBCMVGV-SFHVURJKSA-N -1 3 398.417 3.570 20 30 GHEDHM C=CCC1(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CCCC1 ZINC001573330134 947431181 /nfs/dbraw/zinc/43/11/81/947431181.db2.gz UTOVCDUDJDPRJV-UHFFFAOYSA-N -1 3 380.496 3.677 20 30 GHEDHM C=CCC1(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CCCC1 ZINC001573330134 947431188 /nfs/dbraw/zinc/43/11/88/947431188.db2.gz UTOVCDUDJDPRJV-UHFFFAOYSA-N -1 3 380.496 3.677 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001573335181 947474722 /nfs/dbraw/zinc/47/47/22/947474722.db2.gz NLLRAEWXWVKMFG-HZPDHXFCSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001573335181 947474733 /nfs/dbraw/zinc/47/47/33/947474733.db2.gz NLLRAEWXWVKMFG-HZPDHXFCSA-N -1 3 392.511 3.716 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001595009128 982932993 /nfs/dbraw/zinc/93/29/93/982932993.db2.gz FKRQCSSGESCBSI-SJCJKPOMSA-N -1 3 382.391 3.999 20 30 GHEDHM C[C@@H](C#N)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001589335769 986214061 /nfs/dbraw/zinc/21/40/61/986214061.db2.gz TZSYFRTYVKWESU-YVEFUNNKSA-N -1 3 378.350 3.912 20 30 GHEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)CCCc3ccc([O-])c(F)c3)C2)c(F)c1 ZINC000468963817 1016280591 /nfs/dbraw/zinc/28/05/91/1016280591.db2.gz NBIQUNWRCUTZMF-QGZVFWFLSA-N -1 3 399.441 3.650 20 30 GHEDHM N#Cc1ccc(OC2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000469050590 1016375931 /nfs/dbraw/zinc/37/59/31/1016375931.db2.gz WZWHUPWYUYQKDQ-UHFFFAOYSA-N -1 3 382.435 3.796 20 30 GHEDHM COC(=O)CCc1ccc([O-])c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 ZINC001155031292 1032386587 /nfs/dbraw/zinc/38/65/87/1032386587.db2.gz LOAZRYRQERXSAW-UHFFFAOYSA-N -1 3 393.226 3.929 20 30 GHEDHM O=C([O-])C[C@H](CNCc1cccc(F)c1OCC(F)(F)F)C(F)(F)F ZINC000630460149 1020824830 /nfs/dbraw/zinc/82/48/30/1020824830.db2.gz HMUWCICJZUKKPY-SECBINFHSA-N -1 3 377.256 3.510 20 30 GHEDHM CC(C)c1ccc(OCC2N=NC(=S)N2N=Cc2ccc([O-])c(F)c2)cc1 ZINC000755610776 1023313112 /nfs/dbraw/zinc/31/31/12/1023313112.db2.gz XGGLXAONPYPGAH-UHFFFAOYSA-N -1 3 386.452 3.996 20 30 GHEDHM CCOC(=O)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC001163769108 1026310109 /nfs/dbraw/zinc/31/01/09/1026310109.db2.gz OWLJLYJIZBTECZ-UHFFFAOYSA-N -1 3 393.321 3.881 20 30 GHEDHM N#CCc1cccc(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)c1 ZINC001153877305 1031788695 /nfs/dbraw/zinc/78/86/95/1031788695.db2.gz DJQAYCIGFAUMPY-UHFFFAOYSA-N -1 3 382.217 3.609 20 30 GHEDHM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(OC2CCN(CCF)CC2)c1 ZINC001229207329 1033342286 /nfs/dbraw/zinc/34/22/86/1033342286.db2.gz FIQIGOGAKFYFNN-MTJSOVHGSA-N -1 3 399.418 3.527 20 30 GHEDHM Cc1csc2[n-]c(=S)nc(O[C@@H]3C[C@@H](C#N)N(C(=O)OC(C)(C)C)C3)c12 ZINC001229353408 1033433341 /nfs/dbraw/zinc/43/33/41/1033433341.db2.gz OLMAJLKOKSWIKX-WDEREUQCSA-N -1 3 392.506 3.569 20 30 GHEDHM C=CCCCCCCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001229663987 1033626564 /nfs/dbraw/zinc/62/65/64/1033626564.db2.gz UKVRDHWQZNXYSE-UHFFFAOYSA-N -1 3 377.451 3.613 20 30 GHEDHM CCOC(=O)CC[C@H](Oc1ccccc1/C=N/c1ccccc1[O-])C(=O)OCC ZINC001229937544 1033800831 /nfs/dbraw/zinc/80/08/31/1033800831.db2.gz MPGZVFYRTUOZNF-VRMLFSPKSA-N -1 3 399.443 3.797 20 30 GHEDHM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCNC[C@@H]3c3ccccc3)c2)c1 ZINC001157968156 1033841024 /nfs/dbraw/zinc/84/10/24/1033841024.db2.gz CTCKGWPSCKABEB-HSZRJFAPSA-N -1 3 383.451 3.718 20 30 GHEDHM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC001161848425 1035314386 /nfs/dbraw/zinc/31/43/86/1035314386.db2.gz DDJNCJCOCPEVNT-OAQYLSRUSA-N -1 3 386.423 3.592 20 30 GHEDHM O=S(=O)(c1ccccc1)n1cc(-c2cccc(/C=N/[O-])c2)c2ccncc21 ZINC001244204158 1036423736 /nfs/dbraw/zinc/42/37/36/1036423736.db2.gz AOJMKHHYCGTCOB-WSDLNYQXSA-N -1 3 377.425 3.748 20 30 GHEDHM COc1cc([O-])cc(OC[C@@H]2CCO[C@@H]2C)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774820 1040303198 /nfs/dbraw/zinc/30/31/98/1040303198.db2.gz MLWHSPUZGXKPAM-ZTHSPGPESA-N -1 3 384.428 3.806 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCNC3)c2ccccc12 ZINC001237478592 1042226522 /nfs/dbraw/zinc/22/65/22/1042226522.db2.gz KKXQTZGZAWOONX-UHFFFAOYSA-N -1 3 383.498 3.528 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)c(F)cc2F)ccc1F ZINC001259417128 1045136739 /nfs/dbraw/zinc/13/67/39/1045136739.db2.gz AKKRNNXEOYPUDY-UHFFFAOYSA-N -1 3 396.268 3.675 20 30 GHEDHM O=C1[C@@H](NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CCCN1[O-] ZINC001308845115 1050121154 /nfs/dbraw/zinc/12/11/54/1050121154.db2.gz ZMMZPSYGTPDYTC-INIZCTEOSA-N -1 3 382.794 3.880 20 30 GHEDHM Cc1nc(-c2ccc([C@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)cc2)cs1 ZINC001317824980 1054268664 /nfs/dbraw/zinc/26/86/64/1054268664.db2.gz RVNFBHKRQXJZPY-LBPRGKRZSA-N -1 3 383.498 3.918 20 30 GHEDHM COCc1cccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)c1 ZINC001322083880 1056509810 /nfs/dbraw/zinc/50/98/10/1056509810.db2.gz FKZGEHNCGAHBCA-UHFFFAOYSA-N -1 3 395.484 3.720 20 30 GHEDHM COC[C@@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C)cc1 ZINC001322097015 1056515484 /nfs/dbraw/zinc/51/54/84/1056515484.db2.gz JZWRIURIFPHBQJ-OAHLLOKOSA-N -1 3 397.500 3.754 20 30 GHEDHM Cn1ccnc1C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)nc1C1CC1 ZINC001342168269 1061101593 /nfs/dbraw/zinc/10/15/93/1061101593.db2.gz ZUNQVUZITWCPJI-AWEZNQCLSA-N -1 3 377.835 3.898 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC001346441073 1061567127 /nfs/dbraw/zinc/56/71/27/1061567127.db2.gz JLJMFTMDWDLMSQ-KRWDZBQOSA-N -1 3 381.436 3.565 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)[nH]c1C ZINC001455248807 1062071099 /nfs/dbraw/zinc/07/10/99/1062071099.db2.gz QHOUBKLBVUTQBS-UHFFFAOYSA-N -1 3 389.459 3.854 20 30 GHEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3csc(-c4cccs4)n3)n[nH]2)c1 ZINC001458041483 1063520160 /nfs/dbraw/zinc/52/01/60/1063520160.db2.gz JEWISNGKQRVVMM-UHFFFAOYSA-N -1 3 378.442 3.781 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC001464093281 1064816639 /nfs/dbraw/zinc/81/66/39/1064816639.db2.gz WBBFKKFVCKITKI-UHFFFAOYSA-N -1 3 389.271 3.525 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000847617464 1065759873 /nfs/dbraw/zinc/75/98/73/1065759873.db2.gz QJUGKWVWAOUDHN-AWEZNQCLSA-N -1 3 381.860 3.961 20 30 GHEDHM O=C(Nc1cccc(CSCc2ccccc2)c1)N[C@H]1CCCN([O-])C1=O ZINC001465651803 1065770570 /nfs/dbraw/zinc/77/05/70/1065770570.db2.gz ZTTYQOSOBGLFIJ-SFHVURJKSA-N -1 3 385.489 3.622 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)nc(C3CC3)c2)cc1OC ZINC000847624374 1065780319 /nfs/dbraw/zinc/78/03/19/1065780319.db2.gz PCVYGUVFXKZKPA-CQSZACIVSA-N -1 3 399.834 3.591 20 30 GHEDHM CCCCCCCCCNC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001200376777 1066028478 /nfs/dbraw/zinc/02/84/78/1066028478.db2.gz MZDARSFRGRUEJG-UHFFFAOYSA-N -1 3 391.581 3.775 20 30 GHEDHM CC(C)(C)OC(=O)NCc1cc(C(=O)N([O-])Cc2ccccc2Cl)co1 ZINC001472620248 1073580733 /nfs/dbraw/zinc/58/07/33/1073580733.db2.gz VBOQSNKFYGTCFK-UHFFFAOYSA-N -1 3 380.828 3.989 20 30 GHEDHM N#Cc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737715994 598919206 /nfs/dbraw/zinc/91/92/06/598919206.db2.gz JLDPOXKAROUSRE-UHFFFAOYSA-N -1 3 387.230 3.616 20 30 GHEDHM N#Cc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737715994 598919208 /nfs/dbraw/zinc/91/92/08/598919208.db2.gz JLDPOXKAROUSRE-UHFFFAOYSA-N -1 3 387.230 3.616 20 30 GHEDHM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2ccccc2n1 ZINC000735921140 598920811 /nfs/dbraw/zinc/92/08/11/598920811.db2.gz LHSPSVUMBVECLB-UHFFFAOYSA-N -1 3 383.415 3.662 20 30 GHEDHM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2ccccc2n1 ZINC000735921140 598920813 /nfs/dbraw/zinc/92/08/13/598920813.db2.gz LHSPSVUMBVECLB-UHFFFAOYSA-N -1 3 383.415 3.662 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000737719854 598922112 /nfs/dbraw/zinc/92/21/12/598922112.db2.gz WLSJLCCWVVJWRV-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000737719854 598922113 /nfs/dbraw/zinc/92/21/13/598922113.db2.gz WLSJLCCWVVJWRV-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000735421408 598924112 /nfs/dbraw/zinc/92/41/12/598924112.db2.gz YQHUUCLLHUEBMH-WMZOPIPTSA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000735421408 598924114 /nfs/dbraw/zinc/92/41/14/598924114.db2.gz YQHUUCLLHUEBMH-WMZOPIPTSA-N -1 3 382.512 3.781 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(OC(F)(F)F)c1 ZINC000823505034 599117209 /nfs/dbraw/zinc/11/72/09/599117209.db2.gz XCKAZTAGZNNQSV-JYRVWZFOSA-N -1 3 386.333 3.978 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(OC(F)(F)F)c1 ZINC000823505034 599117210 /nfs/dbraw/zinc/11/72/10/599117210.db2.gz XCKAZTAGZNNQSV-JYRVWZFOSA-N -1 3 386.333 3.978 20 30 GHEDHM CN(Cc1ccc(C#N)cc1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000736816975 599269313 /nfs/dbraw/zinc/26/93/13/599269313.db2.gz RYMSYGOQDFDTQQ-UHFFFAOYSA-N -1 3 375.823 3.576 20 30 GHEDHM CN(Cc1ccc(C#N)cc1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000736816975 599269314 /nfs/dbraw/zinc/26/93/14/599269314.db2.gz RYMSYGOQDFDTQQ-UHFFFAOYSA-N -1 3 375.823 3.576 20 30 GHEDHM Cc1cc(NCc2ccc(C#N)cc2F)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737281235 598310343 /nfs/dbraw/zinc/31/03/43/598310343.db2.gz RWWIJCKPMFSFSV-UHFFFAOYSA-N -1 3 398.405 3.599 20 30 GHEDHM Cc1cc(NCc2ccc(C#N)cc2F)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737281235 598310345 /nfs/dbraw/zinc/31/03/45/598310345.db2.gz RWWIJCKPMFSFSV-UHFFFAOYSA-N -1 3 398.405 3.599 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000735419936 598432122 /nfs/dbraw/zinc/43/21/22/598432122.db2.gz KTFDOBVKTPGJMQ-QGZVFWFLSA-N -1 3 390.491 3.942 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000735419936 598432124 /nfs/dbraw/zinc/43/21/24/598432124.db2.gz KTFDOBVKTPGJMQ-QGZVFWFLSA-N -1 3 390.491 3.942 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H]1CCCC ZINC000735418701 598533830 /nfs/dbraw/zinc/53/38/30/598533830.db2.gz IPZCTFMFMBJNNW-MJGOQNOKSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H]1CCCC ZINC000735418701 598533831 /nfs/dbraw/zinc/53/38/31/598533831.db2.gz IPZCTFMFMBJNNW-MJGOQNOKSA-N -1 3 382.512 3.923 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735977707 598561251 /nfs/dbraw/zinc/56/12/51/598561251.db2.gz WUPQTADWXUENGY-GFCCVEGCSA-N -1 3 379.449 3.905 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735977707 598561252 /nfs/dbraw/zinc/56/12/52/598561252.db2.gz WUPQTADWXUENGY-GFCCVEGCSA-N -1 3 379.449 3.905 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735390912 598608770 /nfs/dbraw/zinc/60/87/70/598608770.db2.gz IIASWCPLNSYOKK-UHFFFAOYSA-N -1 3 385.452 3.757 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000735390912 598608771 /nfs/dbraw/zinc/60/87/71/598608771.db2.gz IIASWCPLNSYOKK-UHFFFAOYSA-N -1 3 385.452 3.757 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735426539 598647347 /nfs/dbraw/zinc/64/73/47/598647347.db2.gz RKMCRLIVJTVSLO-UHFFFAOYSA-N -1 3 397.504 3.692 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735426539 598647349 /nfs/dbraw/zinc/64/73/49/598647349.db2.gz RKMCRLIVJTVSLO-UHFFFAOYSA-N -1 3 397.504 3.692 20 30 GHEDHM N#CCCN(C(=O)CSc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000822806075 599343523 /nfs/dbraw/zinc/34/35/23/599343523.db2.gz ISBYVAFGBYIBQX-UHFFFAOYSA-N -1 3 398.879 3.559 20 30 GHEDHM N#CCCN(C(=O)CSc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000822806075 599343524 /nfs/dbraw/zinc/34/35/24/599343524.db2.gz ISBYVAFGBYIBQX-UHFFFAOYSA-N -1 3 398.879 3.559 20 30 GHEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1S[C@@H](C)CC#N ZINC000821736100 607371006 /nfs/dbraw/zinc/37/10/06/607371006.db2.gz BBXYOGOKBIDQKX-ZDUSSCGKSA-N -1 3 380.477 3.882 20 30 GHEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1S[C@@H](C)CC#N ZINC000821736100 607371008 /nfs/dbraw/zinc/37/10/08/607371008.db2.gz BBXYOGOKBIDQKX-ZDUSSCGKSA-N -1 3 380.477 3.882 20 30 GHEDHM C=C(Cl)CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735402457 599389621 /nfs/dbraw/zinc/38/96/21/599389621.db2.gz VPGAUHGVJXPLBY-UHFFFAOYSA-N -1 3 385.880 3.641 20 30 GHEDHM C=C(Cl)CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735402457 599389624 /nfs/dbraw/zinc/38/96/24/599389624.db2.gz VPGAUHGVJXPLBY-UHFFFAOYSA-N -1 3 385.880 3.641 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(Cl)ccc1Cl ZINC000737809569 599462219 /nfs/dbraw/zinc/46/22/19/599462219.db2.gz XJIQEKITGHXRRQ-HWKANZROSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(Cl)ccc1Cl ZINC000737809569 599462220 /nfs/dbraw/zinc/46/22/20/599462220.db2.gz XJIQEKITGHXRRQ-HWKANZROSA-N -1 3 385.214 3.717 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000819742950 599629887 /nfs/dbraw/zinc/62/98/87/599629887.db2.gz CGUXKWAHDJAKOD-DBVUQKKJSA-N -1 3 397.523 3.755 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000819742950 599629888 /nfs/dbraw/zinc/62/98/88/599629888.db2.gz CGUXKWAHDJAKOD-DBVUQKKJSA-N -1 3 397.523 3.755 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819745936 607423516 /nfs/dbraw/zinc/42/35/16/607423516.db2.gz VLWHCSDCLLJIEB-UHFFFAOYSA-N -1 3 398.492 3.936 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819745936 607423519 /nfs/dbraw/zinc/42/35/19/607423519.db2.gz VLWHCSDCLLJIEB-UHFFFAOYSA-N -1 3 398.492 3.936 20 30 GHEDHM CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829279 607442339 /nfs/dbraw/zinc/44/23/39/607442339.db2.gz AWQJGTLMKCLKJV-UHFFFAOYSA-N -1 3 379.423 3.543 20 30 GHEDHM CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829279 607442341 /nfs/dbraw/zinc/44/23/41/607442341.db2.gz AWQJGTLMKCLKJV-UHFFFAOYSA-N -1 3 379.423 3.543 20 30 GHEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000739105637 600561865 /nfs/dbraw/zinc/56/18/65/600561865.db2.gz NMFYONJLKWJOMK-GOSISDBHSA-N -1 3 389.377 3.525 20 30 GHEDHM CCOc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737191378 600563626 /nfs/dbraw/zinc/56/36/26/600563626.db2.gz JSVPLWXTESKHIL-SFHVURJKSA-N -1 3 390.386 3.816 20 30 GHEDHM N#Cc1csc(C=C2CSCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822845739 606304645 /nfs/dbraw/zinc/30/46/45/606304645.db2.gz GGZJXXQKLLZLRL-LZIPFSRQSA-N -1 3 397.510 3.644 20 30 GHEDHM N#Cc1csc(C=C2CSCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822845739 606304646 /nfs/dbraw/zinc/30/46/46/606304646.db2.gz GGZJXXQKLLZLRL-LZIPFSRQSA-N -1 3 397.510 3.644 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)c(Br)c1 ZINC000822923354 606304849 /nfs/dbraw/zinc/30/48/49/606304849.db2.gz QLKGOPABIBOWJW-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)c(Br)c1 ZINC000822923354 606304851 /nfs/dbraw/zinc/30/48/51/606304851.db2.gz QLKGOPABIBOWJW-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)c(OC(F)F)c1 ZINC000822825854 606591610 /nfs/dbraw/zinc/59/16/10/606591610.db2.gz QDJSBFPKMHSBRN-UHFFFAOYSA-N -1 3 377.351 3.771 20 30 GHEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)c(OC(F)F)c1 ZINC000822825854 606591612 /nfs/dbraw/zinc/59/16/12/606591612.db2.gz QDJSBFPKMHSBRN-UHFFFAOYSA-N -1 3 377.351 3.771 20 30 GHEDHM O=C1c2sc3ccccc3c2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823504778 606837196 /nfs/dbraw/zinc/83/71/96/606837196.db2.gz UMEZMVZSPBPYDG-XFXZXTDPSA-N -1 3 398.451 3.942 20 30 GHEDHM O=C1c2sc3ccccc3c2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823504778 606837197 /nfs/dbraw/zinc/83/71/97/606837197.db2.gz UMEZMVZSPBPYDG-XFXZXTDPSA-N -1 3 398.451 3.942 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000822145344 606839708 /nfs/dbraw/zinc/83/97/08/606839708.db2.gz QQGCXMACSYEOAM-SFHVURJKSA-N -1 3 377.404 3.672 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000822145344 606839710 /nfs/dbraw/zinc/83/97/10/606839710.db2.gz QQGCXMACSYEOAM-SFHVURJKSA-N -1 3 377.404 3.672 20 30 GHEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000824747176 607929453 /nfs/dbraw/zinc/92/94/53/607929453.db2.gz ZANGRGRFCDSPNN-NSHDSACASA-N -1 3 396.476 3.503 20 30 GHEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000824747176 607929454 /nfs/dbraw/zinc/92/94/54/607929454.db2.gz ZANGRGRFCDSPNN-NSHDSACASA-N -1 3 396.476 3.503 20 30 GHEDHM N#Cc1ccc2nc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)ccc2c1 ZINC000826385982 608237063 /nfs/dbraw/zinc/23/70/63/608237063.db2.gz KGUVHOCYUKDNBE-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1ccc2nc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)ccc2c1 ZINC000826385982 608237065 /nfs/dbraw/zinc/23/70/65/608237065.db2.gz KGUVHOCYUKDNBE-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824928153 608307353 /nfs/dbraw/zinc/30/73/53/608307353.db2.gz RMERPTVPMXSKPI-MAUKXSAKSA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824928153 608307355 /nfs/dbraw/zinc/30/73/55/608307355.db2.gz RMERPTVPMXSKPI-MAUKXSAKSA-N -1 3 396.495 3.833 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C#N)s1 ZINC000824130880 608348647 /nfs/dbraw/zinc/34/86/47/608348647.db2.gz QSPZACUZQBMTNS-UHFFFAOYSA-N -1 3 398.517 3.828 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C#N)s1 ZINC000824130880 608348649 /nfs/dbraw/zinc/34/86/49/608348649.db2.gz QSPZACUZQBMTNS-UHFFFAOYSA-N -1 3 398.517 3.828 20 30 GHEDHM Cc1cc2c(cc1C)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCCO2 ZINC000826272793 608536161 /nfs/dbraw/zinc/53/61/61/608536161.db2.gz BEIOGYWYNNEPPF-UHFFFAOYSA-N -1 3 383.843 3.521 20 30 GHEDHM Cc1cc2c(cc1C)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCCO2 ZINC000826272793 608536162 /nfs/dbraw/zinc/53/61/62/608536162.db2.gz BEIOGYWYNNEPPF-UHFFFAOYSA-N -1 3 383.843 3.521 20 30 GHEDHM N#Cc1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1Cl ZINC000826385232 608558449 /nfs/dbraw/zinc/55/84/49/608558449.db2.gz CGWKTGYENRZVES-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1Cl ZINC000826385232 608558451 /nfs/dbraw/zinc/55/84/51/608558451.db2.gz CGWKTGYENRZVES-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475447 608878051 /nfs/dbraw/zinc/87/80/51/608878051.db2.gz GJLRHBJEPIAWKJ-DJJIWSAGSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475447 608878052 /nfs/dbraw/zinc/87/80/52/608878052.db2.gz GJLRHBJEPIAWKJ-DJJIWSAGSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399747 609272322 /nfs/dbraw/zinc/27/23/22/609272322.db2.gz DVHYTIVKLFYVEP-FNORWQNLSA-N -1 3 396.332 3.570 20 30 GHEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399747 609272323 /nfs/dbraw/zinc/27/23/23/609272323.db2.gz DVHYTIVKLFYVEP-FNORWQNLSA-N -1 3 396.332 3.570 20 30 GHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400298 609272606 /nfs/dbraw/zinc/27/26/06/609272606.db2.gz VBOXBWIAQVSFMV-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400298 609272608 /nfs/dbraw/zinc/27/26/08/609272608.db2.gz VBOXBWIAQVSFMV-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953528 609275565 /nfs/dbraw/zinc/27/55/65/609275565.db2.gz FCAGBFNNRBXFAV-UHFFFAOYSA-N -1 3 378.333 3.538 20 30 GHEDHM CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953528 609275566 /nfs/dbraw/zinc/27/55/66/609275566.db2.gz FCAGBFNNRBXFAV-UHFFFAOYSA-N -1 3 378.333 3.538 20 30 GHEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c(Cl)c1 ZINC000826385826 609308264 /nfs/dbraw/zinc/30/82/64/609308264.db2.gz CLCHCRYHZQSLPT-UHFFFAOYSA-N -1 3 390.628 3.733 20 30 GHEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c(Cl)c1 ZINC000826385826 609308266 /nfs/dbraw/zinc/30/82/66/609308266.db2.gz CLCHCRYHZQSLPT-UHFFFAOYSA-N -1 3 390.628 3.733 20 30 GHEDHM C#CCCCCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823842266 609562111 /nfs/dbraw/zinc/56/21/11/609562111.db2.gz ZVDCTIZKFPRYLM-UHFFFAOYSA-N -1 3 379.489 3.795 20 30 GHEDHM N#CCc1ccc(OCc2ccccc2NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000274724141 834863959 /nfs/dbraw/zinc/86/39/59/834863959.db2.gz ACMMTJHOLJPSLP-FQEVSTJZSA-N -1 3 381.432 3.911 20 30 GHEDHM N#CCc1ccc(OCc2ccccc2NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000274724141 834863970 /nfs/dbraw/zinc/86/39/70/834863970.db2.gz ACMMTJHOLJPSLP-FQEVSTJZSA-N -1 3 381.432 3.911 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)c(F)c2)cc1 ZINC000161955279 835297163 /nfs/dbraw/zinc/29/71/63/835297163.db2.gz CVLXWVROPXOKNE-AWEZNQCLSA-N -1 3 388.782 3.617 20 30 GHEDHM COc1cccc2c1ncc(C)c2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000278691519 835804084 /nfs/dbraw/zinc/80/40/84/835804084.db2.gz ZMYKKZZUMDKCJF-UHFFFAOYSA-N -1 3 390.443 3.712 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC000893777915 844137544 /nfs/dbraw/zinc/13/75/44/844137544.db2.gz YDCQVQUIUZPLFF-HXUWFJFHSA-N -1 3 395.528 3.915 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C1CCCCC1)C(F)(F)F ZINC000180222084 836752002 /nfs/dbraw/zinc/75/20/02/836752002.db2.gz MIWRIXZZWUXLNQ-QGZVFWFLSA-N -1 3 384.398 3.850 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@H]1C(C)C ZINC000610790732 844225495 /nfs/dbraw/zinc/22/54/95/844225495.db2.gz FUTKAHXYSXDJSE-JOCHJYFZSA-N -1 3 377.488 3.990 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1C(F)(F)F ZINC000177620941 838036600 /nfs/dbraw/zinc/03/66/00/838036600.db2.gz VMZGGLCCZRVJDH-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)n1 ZINC000377074656 838968034 /nfs/dbraw/zinc/96/80/34/838968034.db2.gz UTNAVVRWYOTDJF-SFHVURJKSA-N -1 3 397.438 3.604 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000377223065 839128993 /nfs/dbraw/zinc/12/89/93/839128993.db2.gz JHMFLALAKZHRND-IBGZPJMESA-N -1 3 377.488 3.690 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(N3CCCNC3=O)c2)s1 ZINC000430613466 841710052 /nfs/dbraw/zinc/71/00/52/841710052.db2.gz VQYXXUDPISGUGU-OAHLLOKOSA-N -1 3 382.489 3.850 20 30 GHEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000171036910 861289472 /nfs/dbraw/zinc/28/94/72/861289472.db2.gz WRPOAPLPLQXBIR-GFCCVEGCSA-N -1 3 377.828 3.947 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C#N)cc(N(C)C)c3)c2)n1 ZINC000432406255 842399679 /nfs/dbraw/zinc/39/96/79/842399679.db2.gz GYDQZKQHVMWREM-UHFFFAOYSA-N -1 3 387.443 3.602 20 30 GHEDHM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)o1 ZINC000054114275 842541156 /nfs/dbraw/zinc/54/11/56/842541156.db2.gz PVCXBIHYEHGLNS-UHFFFAOYSA-N -1 3 399.410 3.622 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000657028404 842652123 /nfs/dbraw/zinc/65/21/23/842652123.db2.gz ODXGTMRVBXILKN-UHFFFAOYSA-N -1 3 389.304 3.570 20 30 GHEDHM Cc1ccc(C[C@@H]2CCCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 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NLXCAESNXZGYMU-UHFFFAOYSA-N -1 3 392.371 3.980 20 30 GHEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000517603820 852162594 /nfs/dbraw/zinc/16/25/94/852162594.db2.gz MRQLTIXBKVTULM-UHFFFAOYSA-N -1 3 379.707 3.711 20 30 GHEDHM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1nc2ccccc2[nH]1 ZINC000489843697 852604395 /nfs/dbraw/zinc/60/43/95/852604395.db2.gz XWEFKNGDIKDGEW-LBPRGKRZSA-N -1 3 378.342 3.571 20 30 GHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000516520892 852678271 /nfs/dbraw/zinc/67/82/71/852678271.db2.gz WRUSCAWFONXTLR-CYBMUJFWSA-N -1 3 379.707 3.709 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cccc(F)c2C)CCCC1 ZINC000329968866 862466043 /nfs/dbraw/zinc/46/60/43/862466043.db2.gz WHGANCWMRNOARJ-UHFFFAOYSA-N -1 3 395.456 3.618 20 30 GHEDHM C[C@@H]1C[C@H]1c1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)o1 ZINC000732763173 862481024 /nfs/dbraw/zinc/48/10/24/862481024.db2.gz AGCQMSPOJWWSTD-CJBNDPTMSA-N -1 3 382.445 3.678 20 30 GHEDHM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1cccc(C)c1 ZINC000156343132 853663566 /nfs/dbraw/zinc/66/35/66/853663566.db2.gz DZEYXKHAKPSSHL-UHFFFAOYSA-N -1 3 384.427 3.600 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000055671593 854051414 /nfs/dbraw/zinc/05/14/14/854051414.db2.gz SLBFLZXOJLZNPN-CYBMUJFWSA-N -1 3 391.393 3.692 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000056019874 854311279 /nfs/dbraw/zinc/31/12/79/854311279.db2.gz QDOAKDVRHZZMGR-UHFFFAOYSA-N -1 3 385.895 3.543 20 30 GHEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000129652532 854474408 /nfs/dbraw/zinc/47/44/08/854474408.db2.gz UZGVASRKGXSZMP-ZDUSSCGKSA-N -1 3 391.210 3.741 20 30 GHEDHM C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])cc(OC)c1OC ZINC000536335854 854922770 /nfs/dbraw/zinc/92/27/70/854922770.db2.gz MQJMXZALQMKLLY-UHFFFAOYSA-N -1 3 385.416 3.567 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000131687974 855621273 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3.763 20 30 GHEDHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000593540058 857617833 /nfs/dbraw/zinc/61/78/33/857617833.db2.gz IQFNGKGDBPRERN-SFHVURJKSA-N -1 3 390.505 3.773 20 30 GHEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000594694651 858270171 /nfs/dbraw/zinc/27/01/71/858270171.db2.gz NPUGWVJOCFEVDG-IBGZPJMESA-N -1 3 380.510 3.706 20 30 GHEDHM CC(C)([C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000443118522 858383981 /nfs/dbraw/zinc/38/39/81/858383981.db2.gz OCRYOJABCBSMDZ-FQEVSTJZSA-N -1 3 399.441 3.888 20 30 GHEDHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000443221413 858483143 /nfs/dbraw/zinc/48/31/43/858483143.db2.gz CIXRDVZHTDDJPX-UHFFFAOYSA-N -1 3 380.819 3.967 20 30 GHEDHM COC(=O)c1nc2nc(NC3=C(c4ccccc4)C(=O)c4ccccc43)ccc2[n-]1 ZINC001168410385 859165544 /nfs/dbraw/zinc/16/55/44/859165544.db2.gz YADLADWFXKUXCE-UHFFFAOYSA-N -1 3 396.406 3.921 20 30 GHEDHM COC(=O)c1nc2ccc(NC3=C(c4ccccc4)C(=O)c4ccccc43)nc2[n-]1 ZINC001168410385 859165549 /nfs/dbraw/zinc/16/55/49/859165549.db2.gz YADLADWFXKUXCE-UHFFFAOYSA-N -1 3 396.406 3.921 20 30 GHEDHM COC(=O)c1nc2ccc(NC3=C(c4ccccc4)C(=O)c4ccccc43)[n-]c-2n1 ZINC001168410385 859165553 /nfs/dbraw/zinc/16/55/53/859165553.db2.gz YADLADWFXKUXCE-UHFFFAOYSA-N -1 3 396.406 3.921 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C#N)c1C ZINC000764148244 859230440 /nfs/dbraw/zinc/23/04/40/859230440.db2.gz ANHHONRRVAFMQX-UHFFFAOYSA-N -1 3 393.808 3.919 20 30 GHEDHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000764305727 859367928 /nfs/dbraw/zinc/36/79/28/859367928.db2.gz GFZGNXIFELQCLL-MRVPVSSYSA-N -1 3 380.813 3.845 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2ccc(F)c(Br)c2)c1[O-] ZINC000764414312 859444120 /nfs/dbraw/zinc/44/41/20/859444120.db2.gz QKLSYQHTFCGREN-ZICXGBCOSA-N -1 3 381.245 3.540 20 30 GHEDHM CCC(N=Nc1nc(Br)cn2ccnc12)c1ccc([O-])c(F)c1 ZINC000764695822 859570179 /nfs/dbraw/zinc/57/01/79/859570179.db2.gz DRMFRYYNDBRRPC-UHFFFAOYSA-N -1 3 378.205 3.563 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2n1C1CC1 ZINC000611111562 859609959 /nfs/dbraw/zinc/60/99/59/859609959.db2.gz NPMJOSBYWGFWPR-UHFFFAOYSA-N -1 3 375.432 3.532 20 30 GHEDHM COc1ccc(NC(=S)NN=Cc2cc(Cl)c([O-])c(OC)c2)cc1F ZINC000727261407 860018821 /nfs/dbraw/zinc/01/88/21/860018821.db2.gz FTUQEFCYAJHXDI-UHFFFAOYSA-N -1 3 383.832 3.522 20 30 GHEDHM C#Cc1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000792636260 881498435 /nfs/dbraw/zinc/49/84/35/881498435.db2.gz VOPUNGZFIHFZJK-UHFFFAOYSA-N -1 3 375.453 3.915 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCc1cscn1 ZINC000041515976 860807242 /nfs/dbraw/zinc/80/72/42/860807242.db2.gz DRQWQELRQAGEOY-CQSZACIVSA-N -1 3 385.470 3.986 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(-c2ccc(C)o2)nc1C ZINC000129999647 863214303 /nfs/dbraw/zinc/21/43/03/863214303.db2.gz XYNOQDRHTGBEAM-ZDUSSCGKSA-N -1 3 395.440 3.990 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C(C)C)cc2)ccc1F ZINC000763743936 865077620 /nfs/dbraw/zinc/07/76/20/865077620.db2.gz WYYDAVVPUMUZDW-UHFFFAOYSA-N -1 3 390.480 3.690 20 30 GHEDHM COc1ccc(-c2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3)s2)cc1 ZINC000173965924 865261587 /nfs/dbraw/zinc/26/15/87/865261587.db2.gz JYZPAKMLHRHRET-MRXNPFEDSA-N -1 3 377.425 3.780 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)cc1 ZINC000173968707 865263653 /nfs/dbraw/zinc/26/36/53/865263653.db2.gz YFJOOWMXXPYXPW-OAHLLOKOSA-N -1 3 391.349 3.546 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2sc(-c3ccc(C)o3)nc2C)c1 ZINC000127188051 866042769 /nfs/dbraw/zinc/04/27/69/866042769.db2.gz VGGHGXAETAHUHW-HNNXBMFYSA-N -1 3 395.440 3.990 20 30 GHEDHM COc1ccc(N(CC2CC2)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000456179032 866223548 /nfs/dbraw/zinc/22/35/48/866223548.db2.gz NTLBAETZEBRKJA-UHFFFAOYSA-N -1 3 379.460 3.660 20 30 GHEDHM Cc1ccccc1C([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1C ZINC000428370014 866914660 /nfs/dbraw/zinc/91/46/60/866914660.db2.gz MXTQHBCICPHHAY-UHFFFAOYSA-N -1 3 377.469 3.638 20 30 GHEDHM C[C@@H]1CN(C(=O)c2ccc(C/N=C/c3cc(Cl)ccc3[O-])cc2)C[C@@H](C)O1 ZINC000920387779 882079731 /nfs/dbraw/zinc/07/97/31/882079731.db2.gz TYIUKAFQQSDVEC-OVKBOSNOSA-N -1 3 386.879 3.914 20 30 GHEDHM COc1ccc2cc(C(C)=N[N-]S(=O)(=O)CCc3ccccc3)ccc2c1 ZINC000743449167 868196728 /nfs/dbraw/zinc/19/67/28/868196728.db2.gz OYXSWLZGVAKSKV-UHFFFAOYSA-N -1 3 382.485 3.735 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C1CC1 ZINC000744030783 868538353 /nfs/dbraw/zinc/53/83/53/868538353.db2.gz LAYWBDGVTYJFFR-LLVKDONJSA-N -1 3 377.231 3.565 20 30 GHEDHM N#Cc1ccc(Oc2cccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)c2)cc1 ZINC000445961023 869201531 /nfs/dbraw/zinc/20/15/31/869201531.db2.gz RWMOKKZEIXWFOP-HNNXBMFYSA-N -1 3 375.306 3.728 20 30 GHEDHM COC(=O)COc1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000745021278 869241498 /nfs/dbraw/zinc/24/14/98/869241498.db2.gz YBQWRKJDUFXJJA-BAQGIRSFSA-N -1 3 376.792 3.502 20 30 GHEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c1C#N ZINC000540041127 870284535 /nfs/dbraw/zinc/28/45/35/870284535.db2.gz ISXNRAITEXIMFT-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2F)c1 ZINC000775600578 871368607 /nfs/dbraw/zinc/36/86/07/871368607.db2.gz WOKPECJSXSFRJE-IBGZPJMESA-N -1 3 385.395 3.856 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2F)c1 ZINC000775600578 871368620 /nfs/dbraw/zinc/36/86/20/871368620.db2.gz WOKPECJSXSFRJE-IBGZPJMESA-N -1 3 385.395 3.856 20 30 GHEDHM C=C1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001194590537 871817098 /nfs/dbraw/zinc/81/70/98/871817098.db2.gz BERTXUHHPMTYIU-UHFFFAOYSA-N -1 3 378.372 3.638 20 30 GHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cc(Br)cn3)cc2)n1 ZINC000041515710 872007117 /nfs/dbraw/zinc/00/71/17/872007117.db2.gz UOMGOBQLMFXCJY-CQSZACIVSA-N -1 3 387.262 3.890 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CSc2ccc(F)cc2)no1 ZINC000546933895 872045274 /nfs/dbraw/zinc/04/52/74/872045274.db2.gz XJBVNEGENXRMLJ-UHFFFAOYSA-N -1 3 384.436 3.875 20 30 GHEDHM O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1ccc(Cl)[n-]c1=O ZINC001195140183 872195895 /nfs/dbraw/zinc/19/58/95/872195895.db2.gz FCHDCTTYGQGXGL-UHFFFAOYSA-N -1 3 376.799 3.935 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1[O-] ZINC000767336681 872407709 /nfs/dbraw/zinc/40/77/09/872407709.db2.gz GRBOIRXUIZNVMR-XYIDMMFISA-N -1 3 393.512 3.936 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[n-]1 ZINC000619446285 872633436 /nfs/dbraw/zinc/63/34/36/872633436.db2.gz CUPHDSLIUFLKFG-UHFFFAOYSA-N -1 3 394.362 3.642 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c[n-]1 ZINC000619446285 872633443 /nfs/dbraw/zinc/63/34/43/872633443.db2.gz CUPHDSLIUFLKFG-UHFFFAOYSA-N -1 3 394.362 3.642 20 30 GHEDHM N#Cc1cc(NC(=O)c2cnn(Cc3cccc(C(F)(F)F)c3)c2)ccc1[O-] ZINC001195865274 872724280 /nfs/dbraw/zinc/72/42/80/872724280.db2.gz AOSFKWVFPUKNKT-UHFFFAOYSA-N -1 3 386.333 3.780 20 30 GHEDHM Cc1ccnc(N2CCN(C(=O)c3cc([O-])cc(-c4cccc(C#N)c4)c3)CC2)c1 ZINC001196315301 873010396 /nfs/dbraw/zinc/01/03/96/873010396.db2.gz BHOSGOMXAFRJDJ-UHFFFAOYSA-N -1 3 398.466 3.597 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)cc1 ZINC001196491291 873169643 /nfs/dbraw/zinc/16/96/43/873169643.db2.gz ZZVRHAIXCDGBCX-UHFFFAOYSA-N -1 3 391.424 3.845 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(Br)c1 ZINC001196639616 873277532 /nfs/dbraw/zinc/27/75/32/873277532.db2.gz MEKZPDZZZWZOIO-UHFFFAOYSA-N -1 3 396.653 3.647 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1F ZINC001197688098 873982171 /nfs/dbraw/zinc/98/21/71/873982171.db2.gz PUBOPYORQRWIJY-UHFFFAOYSA-N -1 3 378.734 3.710 20 30 GHEDHM Cc1cc(C(C#N)=C([O-])c2c[nH]nc2-c2cccc(OC(F)F)c2)nc(C)n1 ZINC000464502711 873987658 /nfs/dbraw/zinc/98/76/58/873987658.db2.gz SEKKDMWUVRTWJR-AWEZNQCLSA-N -1 3 383.358 3.575 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cn1 ZINC000770606090 874790255 /nfs/dbraw/zinc/79/02/55/874790255.db2.gz JMMZIDZAQACXLM-UHFFFAOYSA-N -1 3 384.436 3.858 20 30 GHEDHM O=C(Nc1cccc(Sc2ccc(Cl)cc2)c1)N[C@@H]1CCCN([O-])C1=O ZINC001201577690 875761313 /nfs/dbraw/zinc/76/13/13/875761313.db2.gz FGAOCDBJENUTCW-MRXNPFEDSA-N -1 3 391.880 3.993 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000451019446 877195817 /nfs/dbraw/zinc/19/58/17/877195817.db2.gz RYUZEEZPGLLBNH-NEPJUHHUSA-N -1 3 380.819 3.805 20 30 GHEDHM C=CCC(C)(C)c1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000551498598 877309862 /nfs/dbraw/zinc/30/98/62/877309862.db2.gz CZUYKUPQQJUTAV-UHFFFAOYSA-N -1 3 379.482 3.652 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3Cl)n2)c1 ZINC000776514667 877441044 /nfs/dbraw/zinc/44/10/44/877441044.db2.gz FRWJLXLYUMBEMY-HNNXBMFYSA-N -1 3 395.802 3.965 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(Cl)c1 ZINC000493073675 878298367 /nfs/dbraw/zinc/29/83/67/878298367.db2.gz AOWKZUTXZDHUHX-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000111990522 879602648 /nfs/dbraw/zinc/60/26/48/879602648.db2.gz SVDVCMCVNYNROZ-GFCCVEGCSA-N -1 3 398.850 3.630 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(-c2cccc(F)c2)o1 ZINC000746941322 879948324 /nfs/dbraw/zinc/94/83/24/879948324.db2.gz RHOBCWZSHZINCL-UHFFFAOYSA-N -1 3 395.390 3.746 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(Br)cc1 ZINC000928919904 880674343 /nfs/dbraw/zinc/67/43/43/880674343.db2.gz LDBTXXZFOPZESU-UHFFFAOYSA-N -1 3 388.265 3.634 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(C(F)F)c2)ccc1F ZINC000791766099 880693275 /nfs/dbraw/zinc/69/32/75/880693275.db2.gz YGRWMDWXBKOBRV-UHFFFAOYSA-N -1 3 399.390 3.585 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nccc3ccccc32)cnc1Br ZINC000792094119 880923232 /nfs/dbraw/zinc/92/32/32/880923232.db2.gz CTLYIGCBLQXQQV-AWEZNQCLSA-N -1 3 382.217 3.891 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609377607 883120224 /nfs/dbraw/zinc/12/02/24/883120224.db2.gz BKZQSWQGERBWLK-NSHDSACASA-N -1 3 385.401 3.828 20 30 GHEDHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccc(C#N)cc1 ZINC000609577031 883374267 /nfs/dbraw/zinc/37/42/67/883374267.db2.gz DRMFPDHFQWZQAZ-NSHDSACASA-N -1 3 396.244 3.653 20 30 GHEDHM C=CCC(C)(C)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000551142296 883377007 /nfs/dbraw/zinc/37/70/07/883377007.db2.gz GWHOVPSSYLFTLO-UHFFFAOYSA-N -1 3 381.473 3.806 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)s1 ZINC000551221909 883515022 /nfs/dbraw/zinc/51/50/22/883515022.db2.gz BXSOCTXNLAPQAI-UHFFFAOYSA-N -1 3 397.319 3.658 20 30 GHEDHM CCCn1ccc2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc21 ZINC000051421350 884798591 /nfs/dbraw/zinc/79/85/91/884798591.db2.gz IREZQGGODWWQOP-UHFFFAOYSA-N -1 3 376.460 3.799 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)OCc3c(C#N)c(C)nn3-c3ccccc3)n[n-]2)o1 ZINC000919329565 885348231 /nfs/dbraw/zinc/34/82/31/885348231.db2.gz QBFWPXNJUDWVJX-UHFFFAOYSA-N -1 3 387.399 3.701 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)OCc3c(C#N)c(C)nn3-c3ccccc3)[n-]n2)o1 ZINC000919329565 885348249 /nfs/dbraw/zinc/34/82/49/885348249.db2.gz QBFWPXNJUDWVJX-UHFFFAOYSA-N -1 3 387.399 3.701 20 30 GHEDHM O=C(COc1ccc(Oc2ccccn2)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026251780 885360334 /nfs/dbraw/zinc/36/03/34/885360334.db2.gz HPPUJYKSOVIJQE-UHFFFAOYSA-N -1 3 379.298 3.678 20 30 GHEDHM O=C(COc1ccc(Oc2ccccn2)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026251780 885360360 /nfs/dbraw/zinc/36/03/60/885360360.db2.gz HPPUJYKSOVIJQE-UHFFFAOYSA-N -1 3 379.298 3.678 20 30 GHEDHM Cn1nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1Br ZINC001184235373 913092169 /nfs/dbraw/zinc/09/21/69/913092169.db2.gz KBNJIFLGJAATKQ-UHFFFAOYSA-N -1 3 379.041 3.521 20 30 GHEDHM COCCC[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000794682457 887754381 /nfs/dbraw/zinc/75/43/81/887754381.db2.gz VNQKSWFREDRCTL-BFTVFPACSA-N -1 3 376.884 3.871 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccc(Br)cc2)c1[O-] ZINC000915978209 888594839 /nfs/dbraw/zinc/59/48/39/888594839.db2.gz CFVPIKUHMOMGDX-UKWGHVSLSA-N -1 3 377.282 3.747 20 30 GHEDHM O=C1OCCN1Cc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000915981911 888597922 /nfs/dbraw/zinc/59/79/22/888597922.db2.gz IZMCXMFNXWUROL-UHFFFAOYSA-N -1 3 375.222 3.858 20 30 GHEDHM COC[C@@]1(C/N=C/c2cc(Br)ccc2[O-])OCCc2ccccc21 ZINC000811624647 889792319 /nfs/dbraw/zinc/79/23/19/889792319.db2.gz LXKPOUXMULFKFS-GWJWUGQSSA-N -1 3 390.277 3.688 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn(CC2CC2)c1 ZINC000870141714 890229662 /nfs/dbraw/zinc/22/96/62/890229662.db2.gz BWZHELKSFCRDEF-OAHLLOKOSA-N -1 3 377.231 3.561 20 30 GHEDHM COC(=O)c1ccc(C=CC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)o1 ZINC000870454015 890360905 /nfs/dbraw/zinc/36/09/05/890360905.db2.gz DBVDJSSUYPFNBK-OWNNVSBGSA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1ccc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)o1 ZINC000870454015 890360919 /nfs/dbraw/zinc/36/09/19/890360919.db2.gz DBVDJSSUYPFNBK-OWNNVSBGSA-N -1 3 383.425 3.611 20 30 GHEDHM C=CCN1C(=O)C2(CCOCC2)c2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212007599 891297196 /nfs/dbraw/zinc/29/71/96/891297196.db2.gz PRVDCOXOKIVCNC-UHFFFAOYSA-N -1 3 386.398 3.995 20 30 GHEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OCC ZINC000825637954 891377559 /nfs/dbraw/zinc/37/75/59/891377559.db2.gz CPUUKWWPGKNASS-UITAMQMPSA-N -1 3 382.395 3.699 20 30 GHEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OCC ZINC000825637954 891377574 /nfs/dbraw/zinc/37/75/74/891377574.db2.gz CPUUKWWPGKNASS-UITAMQMPSA-N -1 3 382.395 3.699 20 30 GHEDHM CN(C)C(=O)c1cccc(CC/N=C/c2cc(Br)ccc2[O-])c1 ZINC000125167971 892346427 /nfs/dbraw/zinc/34/64/27/892346427.db2.gz NJOMFBJYYFLYLT-UDWIEESQSA-N -1 3 375.266 3.518 20 30 GHEDHM COC(=O)c1cc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c[n-]1 ZINC000814530986 892831573 /nfs/dbraw/zinc/83/15/73/892831573.db2.gz NAYLDOCYSNTXTD-UHFFFAOYSA-N -1 3 388.423 3.858 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCc4sccc4C3)cc2)c1 ZINC000125610629 892831806 /nfs/dbraw/zinc/83/18/06/892831806.db2.gz RJPSNSLXZHWLTM-UHFFFAOYSA-N -1 3 395.509 3.983 20 30 GHEDHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000878399215 894260175 /nfs/dbraw/zinc/26/01/75/894260175.db2.gz PGVLXWVYXPLZJN-OAHLLOKOSA-N -1 3 386.455 3.644 20 30 GHEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)nc1 ZINC000815910445 894285856 /nfs/dbraw/zinc/28/58/56/894285856.db2.gz YCXXXFBDBNSDDX-KBXCAEBGSA-N -1 3 393.443 3.733 20 30 GHEDHM Cc1csc([N-]C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c1C#N ZINC000288771038 913871948 /nfs/dbraw/zinc/87/19/48/913871948.db2.gz JNQJVCXZRVHALE-UHFFFAOYSA-N -1 3 378.479 3.662 20 30 GHEDHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(OCCCC#N)c1)c2=O ZINC000537216159 894577862 /nfs/dbraw/zinc/57/78/62/894577862.db2.gz YQFVXPWLEMTOAA-UHFFFAOYSA-N -1 3 395.390 3.611 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000816757266 895051892 /nfs/dbraw/zinc/05/18/92/895051892.db2.gz PEBUPEKLAITXAD-SFHVURJKSA-N -1 3 395.846 3.665 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC(F)F ZINC000826178739 895843788 /nfs/dbraw/zinc/84/37/88/895843788.db2.gz KFWCTQYBFYMJDO-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC(F)F ZINC000826178739 895843804 /nfs/dbraw/zinc/84/38/04/895843804.db2.gz KFWCTQYBFYMJDO-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000819772722 896957229 /nfs/dbraw/zinc/95/72/29/896957229.db2.gz JZDFELAVULOZEE-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000819772722 896957241 /nfs/dbraw/zinc/95/72/41/896957241.db2.gz JZDFELAVULOZEE-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(NC)ccc2Cl)C1=O ZINC000819809084 896997342 /nfs/dbraw/zinc/99/73/42/896997342.db2.gz NNMVRDYECWAOLH-LJQANCHMSA-N -1 3 394.903 3.698 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C2CCCCC2)n1 ZINC000826359464 898092549 /nfs/dbraw/zinc/09/25/49/898092549.db2.gz HYFYTKTZYLXZSM-NTMALXAHSA-N -1 3 380.427 3.683 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C2CCCCC2)n1 ZINC000826359464 898092560 /nfs/dbraw/zinc/09/25/60/898092560.db2.gz HYFYTKTZYLXZSM-NTMALXAHSA-N -1 3 380.427 3.683 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000823898953 899290101 /nfs/dbraw/zinc/29/01/01/899290101.db2.gz GMLRQSHJXYXHSW-UHFFFAOYSA-N -1 3 375.498 3.509 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823898953 899290118 /nfs/dbraw/zinc/29/01/18/899290118.db2.gz GMLRQSHJXYXHSW-UHFFFAOYSA-N -1 3 375.498 3.509 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2c(C)nn(CCOC)c2C)cc(Cl)c1[O-] ZINC000122446306 901777962 /nfs/dbraw/zinc/77/79/62/901777962.db2.gz NFMJYHSLDXSFRZ-VOTSOKGWSA-N -1 3 378.856 3.800 20 30 GHEDHM CC1(C=CC(=O)C(C#N)=C([O-])c2sccc2Br)CCOCC1 ZINC000845843251 902409771 /nfs/dbraw/zinc/40/97/71/902409771.db2.gz BFYAWIWFOCJAHK-CJHWANRJSA-N -1 3 382.279 3.775 20 30 GHEDHM CC1(C=CC([O-])=C(C#N)C(=O)c2sccc2Br)CCOCC1 ZINC000845843251 902409779 /nfs/dbraw/zinc/40/97/79/902409779.db2.gz BFYAWIWFOCJAHK-CJHWANRJSA-N -1 3 382.279 3.775 20 30 GHEDHM CCC(=O)c1ccc(OCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845836429 902447395 /nfs/dbraw/zinc/44/73/95/902447395.db2.gz JTLRFDJPENCACO-IBGZPJMESA-N -1 3 375.424 3.668 20 30 GHEDHM CCC(=O)c1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1 ZINC000845836429 902447402 /nfs/dbraw/zinc/44/74/02/902447402.db2.gz JTLRFDJPENCACO-IBGZPJMESA-N -1 3 375.424 3.668 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nc(C2CCCC2)no1 ZINC000845841530 902458041 /nfs/dbraw/zinc/45/80/41/902458041.db2.gz OPSLKCRZCFYTRE-QGZVFWFLSA-N -1 3 377.444 3.670 20 30 GHEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2nc3n[nH]cc3c(Cl)n2)c(F)c1F ZINC001186714176 914743263 /nfs/dbraw/zinc/74/32/63/914743263.db2.gz XISIKBYZWGFTGT-UHFFFAOYSA-N -1 3 385.708 3.544 20 30 GHEDHM Cc1ncc(CO)c(/C=N/c2cccc(C[S@](=O)C3CCCCC3)c2)c1[O-] ZINC000265342851 903822228 /nfs/dbraw/zinc/82/22/28/903822228.db2.gz ZSCQWAURFRYNPD-PXTQSWQZSA-N -1 3 386.517 3.920 20 30 GHEDHM CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148664766 904163867 /nfs/dbraw/zinc/16/38/67/904163867.db2.gz SVSQIKBLAMBWIL-UHFFFAOYSA-N -1 3 394.427 3.605 20 30 GHEDHM C=CCC[C@@H](NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290731008 914801266 /nfs/dbraw/zinc/80/12/66/914801266.db2.gz MZJZOLQAQPSUFH-DOTOQJQBSA-N -1 3 397.441 3.794 20 30 GHEDHM C=CC[C@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000628489959 906169638 /nfs/dbraw/zinc/16/96/38/906169638.db2.gz LPCIEYJXAYICPZ-UWJYYQICSA-N -1 3 378.472 3.678 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000188288265 908197206 /nfs/dbraw/zinc/19/72/06/908197206.db2.gz MMPIGHWQXFVDTK-UHFFFAOYSA-N -1 3 387.867 3.875 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(-c3ccc(C)nc3Cl)nc(=O)c2c1C ZINC000193542698 908504233 /nfs/dbraw/zinc/50/42/33/908504233.db2.gz IKTALDZAYXGURY-UHFFFAOYSA-N -1 3 375.837 3.660 20 30 GHEDHM N#Cc1sccc1C(=O)[N-]c1nnc(COc2ccc(Cl)cc2)s1 ZINC001276035367 921586333 /nfs/dbraw/zinc/58/63/33/921586333.db2.gz GFYSCGYNDHOMLK-UHFFFAOYSA-N -1 3 376.850 3.956 20 30 GHEDHM N#CCc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000270442070 910567413 /nfs/dbraw/zinc/56/74/13/910567413.db2.gz ZDDBGDLAYBJVCY-UHFFFAOYSA-N -1 3 397.862 3.603 20 30 GHEDHM CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001181186173 910597224 /nfs/dbraw/zinc/59/72/24/910597224.db2.gz FJHLMMYZVOUIJA-KRWDZBQOSA-N -1 3 395.459 3.586 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(C)c1[O-] ZINC001182289821 911425789 /nfs/dbraw/zinc/42/57/89/911425789.db2.gz WZJCKQQKJBRONL-LSDHHAIUSA-N -1 3 382.391 3.630 20 30 GHEDHM O=C1[C@H](NCc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)CCCN1[O-] ZINC001182674664 911938950 /nfs/dbraw/zinc/93/89/50/911938950.db2.gz FGEHHDJIXXLIPP-MRXNPFEDSA-N -1 3 382.794 3.880 20 30 GHEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)[C@@H](C)CC ZINC001187075638 915020881 /nfs/dbraw/zinc/02/08/81/915020881.db2.gz LAQXFODSEQKHFI-NHYWBVRUSA-N -1 3 394.320 3.557 20 30 GHEDHM O=C(c1cccc(OC(F)(F)F)c1[O-])N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001189755190 916880916 /nfs/dbraw/zinc/88/09/16/916880916.db2.gz KZPDWJPLXDYJAR-LBPRGKRZSA-N -1 3 375.240 3.655 20 30 GHEDHM N#Cc1c(Cl)c(F)cc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1Cl ZINC001189846317 916976886 /nfs/dbraw/zinc/97/68/86/916976886.db2.gz GAWXHMZRZVROPE-UHFFFAOYSA-N -1 3 393.161 3.611 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2c(F)cccc2C(F)(F)F)c1 ZINC001190989048 917688074 /nfs/dbraw/zinc/68/80/74/917688074.db2.gz OTRSOAOZNKKWPO-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM Cc1cccc2c1CC(C)(C)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000296113075 917861198 /nfs/dbraw/zinc/86/11/98/917861198.db2.gz IQVHOSGYBXBIMH-UHFFFAOYSA-N -1 3 377.488 3.880 20 30 GHEDHM N#Cc1ccc(OC2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c(F)c1 ZINC000796517216 917953280 /nfs/dbraw/zinc/95/32/80/917953280.db2.gz UGOWUPRFLQOTBB-UHFFFAOYSA-N -1 3 394.402 3.553 20 30 GHEDHM CN(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(Cl)n1 ZINC000113653306 919375469 /nfs/dbraw/zinc/37/54/69/919375469.db2.gz KHKAPIXCLBHFCB-NSHDSACASA-N -1 3 395.221 3.555 20 30 GHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@H]1C ZINC000297915137 919954667 /nfs/dbraw/zinc/95/46/67/919954667.db2.gz RTNCXLZDIFWQFT-NEPJUHHUSA-N -1 3 381.461 3.791 20 30 GHEDHM O=C([C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)N([O-])Cc1ccc(F)cc1 ZINC000901373273 921049681 /nfs/dbraw/zinc/04/96/81/921049681.db2.gz VSTZSQVFPHSYQF-GVDBMIGSSA-N -1 3 376.225 3.892 20 30 GHEDHM Cc1ccc(CCC(=O)NCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000901379102 921055300 /nfs/dbraw/zinc/05/53/00/921055300.db2.gz VQEBNUCHNIXVEJ-UHFFFAOYSA-N -1 3 395.286 3.769 20 30 GHEDHM O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901377901 921055846 /nfs/dbraw/zinc/05/58/46/921055846.db2.gz BUCDXGFPNWUYGF-UHFFFAOYSA-N -1 3 399.186 3.704 20 30 GHEDHM O=C(c1cnn(-c2ccc(F)cc2)n1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379159 921057075 /nfs/dbraw/zinc/05/70/75/921057075.db2.gz WRQPMSHASQOOKK-UHFFFAOYSA-N -1 3 381.194 3.745 20 30 GHEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n(C2CCOCC2)n1 ZINC000901379175 921057229 /nfs/dbraw/zinc/05/72/29/921057229.db2.gz RGIFHZDQZRGDBH-UHFFFAOYSA-N -1 3 384.263 3.881 20 30 GHEDHM Cc1nn2c(nc(C)cc2C)c1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380464 921058327 /nfs/dbraw/zinc/05/83/27/921058327.db2.gz WWRRZMHTUGTNAH-UHFFFAOYSA-N -1 3 379.247 3.993 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(SC)ccc2[O-])ccc1OC ZINC000827668930 925917979 /nfs/dbraw/zinc/91/79/79/925917979.db2.gz QZPKIQZFBMMXFL-AWEZNQCLSA-N -1 3 386.473 3.734 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@@H](C)C2 ZINC000411008894 925993011 /nfs/dbraw/zinc/99/30/11/925993011.db2.gz IXIITDFTSPREAL-NXEZZACHSA-N -1 3 396.472 3.706 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000374063800 926717491 /nfs/dbraw/zinc/71/74/91/926717491.db2.gz HPJSOZDKJRRUHT-UHFFFAOYSA-N -1 3 381.451 3.754 20 30 GHEDHM COC(=O)c1ccc([O-])c(/C=C2/SC(=Nc3cc(C)ccc3C)NC2=O)c1 ZINC000726787312 926854358 /nfs/dbraw/zinc/85/43/58/926854358.db2.gz KEAOUYXHQYZNSF-LICLKQGHSA-N -1 3 382.441 3.687 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(Oc3ccccc3)c2)c1 ZINC000749338035 927058521 /nfs/dbraw/zinc/05/85/21/927058521.db2.gz MWDSNFXAPHFAAM-IBGZPJMESA-N -1 3 387.395 3.844 20 30 GHEDHM C=CCn1c(=O)[n-]nc1SCc1csc(-c2cccc(OC)c2OC)n1 ZINC000470818803 930938173 /nfs/dbraw/zinc/93/81/73/930938173.db2.gz ALQBNSWEOBSRCQ-UHFFFAOYSA-N -1 3 390.490 3.603 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1C[C@@H]1CCCOC1 ZINC000626410810 934308220 /nfs/dbraw/zinc/30/82/20/934308220.db2.gz XXVZECBKJQWGAE-PKOBYXMFSA-N -1 3 388.471 3.965 20 30 GHEDHM N#CC(=C([O-])c1ccc(OCc2cccnc2)cc1)c1nc(N)c2ccccc2n1 ZINC001122496354 934882862 /nfs/dbraw/zinc/88/28/62/934882862.db2.gz HMCBOSYUKDMSBE-IBGZPJMESA-N -1 3 395.422 3.676 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C)(C#N)CC1 ZINC001122635936 934928694 /nfs/dbraw/zinc/92/86/94/934928694.db2.gz FMBASKIFDBWBFF-UHFFFAOYSA-N -1 3 394.504 3.967 20 30 GHEDHM Cc1sc([N-]C(=O)c2csc(I)n2)c(C#N)c1C ZINC001124063242 935337213 /nfs/dbraw/zinc/33/72/13/935337213.db2.gz HTARAJCUADWWIB-UHFFFAOYSA-N -1 3 389.243 3.550 20 30 GHEDHM C#C[C@@](C)(CC)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001573279270 946635729 /nfs/dbraw/zinc/63/57/29/946635729.db2.gz FAAGJSJZXDUISS-FQEVSTJZSA-N -1 3 395.850 3.844 20 30 GHEDHM C#C[C@@](C)(CC)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001573279270 946635737 /nfs/dbraw/zinc/63/57/37/946635737.db2.gz FAAGJSJZXDUISS-FQEVSTJZSA-N -1 3 395.850 3.844 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573315628 947254285 /nfs/dbraw/zinc/25/42/85/947254285.db2.gz DAZRWIYTUKSOPM-HNNXBMFYSA-N -1 3 377.448 3.952 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573315628 947254294 /nfs/dbraw/zinc/25/42/94/947254294.db2.gz DAZRWIYTUKSOPM-HNNXBMFYSA-N -1 3 377.448 3.952 20 30 GHEDHM C=CCCSCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001573342055 947535272 /nfs/dbraw/zinc/53/52/72/947535272.db2.gz SMHRTSSDDLYFDU-UHFFFAOYSA-N -1 3 379.489 3.573 20 30 GHEDHM C=CCCSCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001573342055 947535278 /nfs/dbraw/zinc/53/52/78/947535278.db2.gz SMHRTSSDDLYFDU-UHFFFAOYSA-N -1 3 379.489 3.573 20 30 GHEDHM CC(C)(C#N)CNC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001573761092 948832419 /nfs/dbraw/zinc/83/24/19/948832419.db2.gz AYSBMNMFDJYQHY-UHFFFAOYSA-N -1 3 393.476 3.689 20 30 GHEDHM CC(C)(C#N)CNC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001573761092 948832428 /nfs/dbraw/zinc/83/24/28/948832428.db2.gz AYSBMNMFDJYQHY-UHFFFAOYSA-N -1 3 393.476 3.689 20 30 GHEDHM COc1ccc2c(c1)ncnc2NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155909494 1032784985 /nfs/dbraw/zinc/78/49/85/1032784985.db2.gz OVKOMAQGMSKTFY-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM COc1nnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC001155914161 1032791722 /nfs/dbraw/zinc/79/17/22/1032791722.db2.gz HMBQMRPGQAXVPY-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(Cn4cccn4)on3)sc2C1 ZINC000576839561 1020075242 /nfs/dbraw/zinc/07/52/42/1020075242.db2.gz QCBTZXXNLNTSBF-CYBMUJFWSA-N -1 3 395.488 3.866 20 30 GHEDHM CC(=[NH+][N-]c1cccc(Br)n1)c1ccc(N2CCCC2)cc1[O-] ZINC000835024274 1021779995 /nfs/dbraw/zinc/77/99/95/1021779995.db2.gz JJGFEYPFDTWLJD-UHFFFAOYSA-N -1 3 375.270 3.986 20 30 GHEDHM COc1nc(C)c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c(C)c1C#N ZINC001163766042 1026309552 /nfs/dbraw/zinc/30/95/52/1026309552.db2.gz RRLVMETWVHLSDG-UHFFFAOYSA-N -1 3 380.326 3.725 20 30 GHEDHM C=CC1(CC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCCC1 ZINC001141956855 1027743654 /nfs/dbraw/zinc/74/36/54/1027743654.db2.gz FHOLQBVVGKVWNE-UHFFFAOYSA-N -1 3 380.510 3.922 20 30 GHEDHM CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cc([O-])cc2Cl)[C@@H](C#N)C1 ZINC001142105692 1028114789 /nfs/dbraw/zinc/11/47/89/1028114789.db2.gz KFUBJYKQGHYKDS-NSHDSACASA-N -1 3 386.279 3.644 20 30 GHEDHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@@H](C)C#C[Si](C)(C)C)nc21 ZINC001223402088 1030555262 /nfs/dbraw/zinc/55/52/62/1030555262.db2.gz CSJOUDULTVREOW-APPDUMDISA-N -1 3 382.895 3.954 20 30 GHEDHM COC(=O)c1cccc2nc([C@](F)(Cl)O[C@@H](C)C#C[Si](C)(C)C)[n-]c21 ZINC001223402088 1030555273 /nfs/dbraw/zinc/55/52/73/1030555273.db2.gz CSJOUDULTVREOW-APPDUMDISA-N -1 3 382.895 3.954 20 30 GHEDHM CC(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1[O-] ZINC001152343807 1031199419 /nfs/dbraw/zinc/19/94/19/1031199419.db2.gz CPZMWIWTXLNLIU-UHFFFAOYSA-N -1 3 380.791 3.558 20 30 GHEDHM CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC001219606384 1031519318 /nfs/dbraw/zinc/51/93/18/1031519318.db2.gz OZWSZSVFDMCZCP-VIFPVBQESA-N -1 3 397.806 3.582 20 30 GHEDHM C=Cc1cc([O-])cc2nc(-c3ccc(OC4CN(CCC#N)C4)c(F)c3)oc21 ZINC001229711925 1033656987 /nfs/dbraw/zinc/65/69/87/1033656987.db2.gz YLMCSMCEVYSKQE-UHFFFAOYSA-N -1 3 379.391 3.959 20 30 GHEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc([O-])c(C(F)(F)F)c1)CCO2 ZINC001231525053 1034677167 /nfs/dbraw/zinc/67/71/67/1034677167.db2.gz TWDCNEOVSATJTM-QFBILLFUSA-N -1 3 385.426 3.985 20 30 GHEDHM COC(=O)c1cccc([C@@H](C)Nc2nc(SC)nc(Cl)c2/C=N/[O-])c1 ZINC001159954189 1034800383 /nfs/dbraw/zinc/80/03/83/1034800383.db2.gz HIMLMJGXJVOYBJ-SEYNJHBTSA-N -1 3 380.857 3.620 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](C(=O)N([O-])CCCCc1ccccc1)C1CCC1 ZINC001161819362 1035308297 /nfs/dbraw/zinc/30/82/97/1035308297.db2.gz QQHBNJMLQBAZBL-SFHVURJKSA-N -1 3 376.497 3.921 20 30 GHEDHM CCCCCCN([O-])C(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C ZINC001161826915 1035310182 /nfs/dbraw/zinc/31/01/82/1035310182.db2.gz PLOWLDYMUTUKFN-AWEZNQCLSA-N -1 3 380.489 3.654 20 30 GHEDHM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N([O-])Cc1cccc3ccccc31)C2=O ZINC001161842987 1035313569 /nfs/dbraw/zinc/31/35/69/1035313569.db2.gz WJBWHHFPRWHFED-OAHLLOKOSA-N -1 3 388.423 3.551 20 30 GHEDHM COc1c(F)ccc(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)c1OC ZINC001245047501 1036746284 /nfs/dbraw/zinc/74/62/84/1036746284.db2.gz ZUXGGUJDSJPMDH-UFFVCSGVSA-N -1 3 375.400 3.698 20 30 GHEDHM N#Cc1ccc(NC(=S)Nc2cc(I)ccc2[O-])cc1 ZINC001245924898 1037060390 /nfs/dbraw/zinc/06/03/90/1037060390.db2.gz YIXXXVIUGDSCJJ-UHFFFAOYSA-N -1 3 395.225 3.677 20 30 GHEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277831476 1039838710 /nfs/dbraw/zinc/83/87/10/1039838710.db2.gz XJESZTZAFQRMQU-LJQANCHMSA-N -1 3 396.318 3.960 20 30 GHEDHM N#Cc1c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCNC2 ZINC001237476414 1042225510 /nfs/dbraw/zinc/22/55/10/1042225510.db2.gz OZHPQWBRRJMTLF-UHFFFAOYSA-N -1 3 395.509 3.733 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Br)cc2F)cc1 ZINC001258132309 1044418116 /nfs/dbraw/zinc/41/81/16/1044418116.db2.gz JCVNIXBSLDDWOA-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1C(F)(F)F ZINC001259368956 1045102749 /nfs/dbraw/zinc/10/27/49/1045102749.db2.gz GVMOTAWUUXUIKT-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM CCc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc(CC)c1C#N ZINC001259371088 1045107068 /nfs/dbraw/zinc/10/70/68/1045107068.db2.gz YYMDITQTTYUSRJ-UHFFFAOYSA-N -1 3 380.473 3.670 20 30 GHEDHM O=C1c2ccccc2C([N-]S(=O)(=O)CCc2ccccc2)=C1c1ccccc1 ZINC001259739696 1045281814 /nfs/dbraw/zinc/28/18/14/1045281814.db2.gz FTUMLZBTJFIYBR-UHFFFAOYSA-N -1 3 389.476 3.913 20 30 GHEDHM O=S(=O)([N-]c1c(F)c(F)c(F)c(F)c1F)c1c(F)cc(F)cc1F ZINC001260354096 1045474563 /nfs/dbraw/zinc/47/45/63/1045474563.db2.gz YVFOPMCTUXLDLA-UHFFFAOYSA-N -1 3 377.212 3.600 20 30 GHEDHM O=S(=O)([N-]Cc1cc(F)cc(F)c1F)c1ccc(F)cc1C(F)(F)F ZINC001261011264 1045832650 /nfs/dbraw/zinc/83/26/50/1045832650.db2.gz JXUPRZNJOVDRKI-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1Cc2ccccc2C(C)(C)C1 ZINC001263285845 1046679677 /nfs/dbraw/zinc/67/96/77/1046679677.db2.gz PPASCUGXYSQQAX-UHFFFAOYSA-N -1 3 390.491 3.623 20 30 GHEDHM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C([O-])=C(C#N)c3nccn3C)c12 ZINC001343717629 1053984224 /nfs/dbraw/zinc/98/42/24/1053984224.db2.gz RNTQLRLYFJGYLO-OAHLLOKOSA-N -1 3 378.480 3.842 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC001318968188 1054971131 /nfs/dbraw/zinc/97/11/31/1054971131.db2.gz JVRHVQVWVUNIBC-UHFFFAOYSA-N -1 3 378.413 3.690 20 30 GHEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001345647405 1055184275 /nfs/dbraw/zinc/18/42/75/1055184275.db2.gz YCITWGMNLCEIJB-AWEZNQCLSA-N -1 3 379.441 3.893 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000848137903 1056743524 /nfs/dbraw/zinc/74/35/24/1056743524.db2.gz HKNBSFKMAJIFSW-WBVHZDCISA-N -1 3 390.892 3.670 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001356264929 1057452435 /nfs/dbraw/zinc/45/24/35/1057452435.db2.gz GXKCMYMOUZTVGN-QGZVFWFLSA-N -1 3 395.459 3.625 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC001339197513 1059006088 /nfs/dbraw/zinc/00/60/88/1059006088.db2.gz RBEFSYSJGVYUEF-MAUKXSAKSA-N -1 3 390.491 3.626 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001341956044 1060968296 /nfs/dbraw/zinc/96/82/96/1060968296.db2.gz UGAPTCNRYBJSBN-SMDDNHRTSA-N -1 3 392.381 3.914 20 30 GHEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc(Cl)cc(Cl)c3F)n2)cc1 ZINC001435323186 1062509158 /nfs/dbraw/zinc/50/91/58/1062509158.db2.gz QMQRNNIYAHTDFO-UHFFFAOYSA-N -1 3 390.205 3.896 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001458010746 1063505495 /nfs/dbraw/zinc/50/54/95/1063505495.db2.gz KRQQBTKCQVTDHH-KZNAEPCWSA-N -1 3 398.544 3.979 20 30 GHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3coc4c3C(=O)NCCC4)c(C#N)c2[C@@H]1C ZINC001436548924 1063522299 /nfs/dbraw/zinc/52/22/99/1063522299.db2.gz ZRHFRHJFSWICDF-GHMZBOCLSA-N -1 3 383.473 3.827 20 30 GHEDHM Cc1nc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(-c2ccccc2)s1 ZINC001463591596 1064485824 /nfs/dbraw/zinc/48/58/24/1064485824.db2.gz VCIIMKREVOIWQX-UHFFFAOYSA-N -1 3 375.519 3.727 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1ccc(Cl)cc1F ZINC001463684621 1064548869 /nfs/dbraw/zinc/54/88/69/1064548869.db2.gz NXFLBSCZSAIPFB-GFCCVEGCSA-N -1 3 393.654 3.834 20 30 GHEDHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)N[C@@H]1CCCN([O-])C1=O ZINC001464932156 1065278709 /nfs/dbraw/zinc/27/87/09/1065278709.db2.gz HWWCTNPTEOXXRZ-OAHLLOKOSA-N -1 3 375.812 3.634 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)nc(C3CC3)c2)cc1OC ZINC000847624372 1065779899 /nfs/dbraw/zinc/77/98/99/1065779899.db2.gz PCVYGUVFXKZKPA-AWEZNQCLSA-N -1 3 399.834 3.591 20 30 GHEDHM C=CCCC(C)(C)CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001479092477 1079100011 /nfs/dbraw/zinc/10/00/11/1079100011.db2.gz HATMQLUIAINCFO-OAHLLOKOSA-N -1 3 397.441 3.798 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1-c1nnn[n-]1 ZINC000737717708 598921773 /nfs/dbraw/zinc/92/17/73/598921773.db2.gz ADROWSYSBPIBQA-UHFFFAOYSA-N -1 3 398.451 3.818 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1-c1nn[n-]n1 ZINC000737717708 598921775 /nfs/dbraw/zinc/92/17/75/598921775.db2.gz ADROWSYSBPIBQA-UHFFFAOYSA-N -1 3 398.451 3.818 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737727185 598926573 /nfs/dbraw/zinc/92/65/73/598926573.db2.gz FKLLWMIAUWACFD-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737727185 598926574 /nfs/dbraw/zinc/92/65/74/598926574.db2.gz FKLLWMIAUWACFD-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM CCO[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C12CCC2 ZINC000736619085 599033534 /nfs/dbraw/zinc/03/35/34/599033534.db2.gz XLCMNBRMBMMIKS-AWEZNQCLSA-N -1 3 380.374 3.633 20 30 GHEDHM CCO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C12CCC2 ZINC000736619085 599033535 /nfs/dbraw/zinc/03/35/35/599033535.db2.gz XLCMNBRMBMMIKS-AWEZNQCLSA-N -1 3 380.374 3.633 20 30 GHEDHM C=CCc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(OC)c1O ZINC000819759305 599112645 /nfs/dbraw/zinc/11/26/45/599112645.db2.gz SVJHHYPRIWETSD-MHWRWJLKSA-N -1 3 388.427 3.522 20 30 GHEDHM C=CCc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(OC)c1O ZINC000819759305 599112648 /nfs/dbraw/zinc/11/26/48/599112648.db2.gz SVJHHYPRIWETSD-MHWRWJLKSA-N -1 3 388.427 3.522 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OC(F)F ZINC000821712770 599113444 /nfs/dbraw/zinc/11/34/44/599113444.db2.gz MBQVMWNLORIJON-MDWZMJQESA-N -1 3 398.369 3.689 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OC(F)F ZINC000821712770 599113447 /nfs/dbraw/zinc/11/34/47/599113447.db2.gz MBQVMWNLORIJON-MDWZMJQESA-N -1 3 398.369 3.689 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)cc(C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737253442 599157736 /nfs/dbraw/zinc/15/77/36/599157736.db2.gz RSYGXIRLWRFHSM-WTKPLQERSA-N -1 3 384.443 3.874 20 30 GHEDHM Cn1nc(-c2ccccc2)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000737619528 599159009 /nfs/dbraw/zinc/15/90/09/599159009.db2.gz UQGAGEGZLGBHMG-QXMHVHEDSA-N -1 3 390.834 3.817 20 30 GHEDHM Cn1nc(-c2ccccc2)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000737619528 599159010 /nfs/dbraw/zinc/15/90/10/599159010.db2.gz UQGAGEGZLGBHMG-QXMHVHEDSA-N -1 3 390.834 3.817 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000735426537 599173271 /nfs/dbraw/zinc/17/32/71/599173271.db2.gz RJYPALUAPVVYID-UHFFFAOYSA-N -1 3 384.827 3.617 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000735426537 599173273 /nfs/dbraw/zinc/17/32/73/599173273.db2.gz RJYPALUAPVVYID-UHFFFAOYSA-N -1 3 384.827 3.617 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716191 599195109 /nfs/dbraw/zinc/19/51/09/599195109.db2.gz MBJJKWAAEWJDCB-GOEBONIOSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716191 599195111 /nfs/dbraw/zinc/19/51/11/599195111.db2.gz MBJJKWAAEWJDCB-GOEBONIOSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716189 599195510 /nfs/dbraw/zinc/19/55/10/599195510.db2.gz MBJJKWAAEWJDCB-GDBMZVCRSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716189 599195513 /nfs/dbraw/zinc/19/55/13/599195513.db2.gz MBJJKWAAEWJDCB-GDBMZVCRSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737706763 599197803 /nfs/dbraw/zinc/19/78/03/599197803.db2.gz YWRXCELHXNWQPN-VQTJNVASSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737706763 599197805 /nfs/dbraw/zinc/19/78/05/599197805.db2.gz YWRXCELHXNWQPN-VQTJNVASSA-N -1 3 380.411 3.634 20 30 GHEDHM Cc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cccc1-c1nnn[n-]1 ZINC000822103440 607287103 /nfs/dbraw/zinc/28/71/03/607287103.db2.gz GMMPEAJQEOIFHN-UHFFFAOYSA-N -1 3 377.408 3.502 20 30 GHEDHM Cc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cccc1-c1nn[n-]n1 ZINC000822103440 607287104 /nfs/dbraw/zinc/28/71/04/607287104.db2.gz GMMPEAJQEOIFHN-UHFFFAOYSA-N -1 3 377.408 3.502 20 30 GHEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1SC ZINC000737041262 598377343 /nfs/dbraw/zinc/37/73/43/598377343.db2.gz IWCXPTSCEJYSPM-SOFGYWHQSA-N -1 3 395.488 3.549 20 30 GHEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1SC ZINC000737041262 598377344 /nfs/dbraw/zinc/37/73/44/598377344.db2.gz IWCXPTSCEJYSPM-SOFGYWHQSA-N -1 3 395.488 3.549 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735416688 598553849 /nfs/dbraw/zinc/55/38/49/598553849.db2.gz ORCRQXYCRKRHBY-AWEZNQCLSA-N -1 3 379.420 3.579 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735416688 598553851 /nfs/dbraw/zinc/55/38/51/598553851.db2.gz ORCRQXYCRKRHBY-AWEZNQCLSA-N -1 3 379.420 3.579 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737727449 598572370 /nfs/dbraw/zinc/57/23/70/598572370.db2.gz MUNLRXRYCJBLIE-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737727449 598572372 /nfs/dbraw/zinc/57/23/72/598572372.db2.gz MUNLRXRYCJBLIE-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM Cc1c(C(=O)C=Cc2c[nH]nc2-c2ccc(C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737288484 598641032 /nfs/dbraw/zinc/64/10/32/598641032.db2.gz PBZCIDGKHDXRLO-KTKRTIGZSA-N -1 3 399.458 3.517 20 30 GHEDHM Cc1c(C(=O)C=Cc2c[nH]nc2-c2ccc(C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737288484 598641034 /nfs/dbraw/zinc/64/10/34/598641034.db2.gz PBZCIDGKHDXRLO-KTKRTIGZSA-N -1 3 399.458 3.517 20 30 GHEDHM C=CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735416111 598647138 /nfs/dbraw/zinc/64/71/38/598647138.db2.gz CQQKDUGGUWJXQX-UHFFFAOYSA-N -1 3 377.448 3.635 20 30 GHEDHM C=CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735416111 598647140 /nfs/dbraw/zinc/64/71/40/598647140.db2.gz CQQKDUGGUWJXQX-UHFFFAOYSA-N -1 3 377.448 3.635 20 30 GHEDHM C=CCN(CC1CCCCC1)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735417117 598752666 /nfs/dbraw/zinc/75/26/66/598752666.db2.gz ZBUPWMMIJRPIFY-UHFFFAOYSA-N -1 3 385.537 3.695 20 30 GHEDHM C=CCN(CC1CCCCC1)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735417117 598752667 /nfs/dbraw/zinc/75/26/67/598752667.db2.gz ZBUPWMMIJRPIFY-UHFFFAOYSA-N -1 3 385.537 3.695 20 30 GHEDHM C=CCOCCCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000819758629 599668642 /nfs/dbraw/zinc/66/86/42/599668642.db2.gz CFCOWEHOTGSGHG-UHFFFAOYSA-N -1 3 378.432 3.560 20 30 GHEDHM C=CCOCCCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000819758629 599668643 /nfs/dbraw/zinc/66/86/43/599668643.db2.gz CFCOWEHOTGSGHG-UHFFFAOYSA-N -1 3 378.432 3.560 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064925 601236931 /nfs/dbraw/zinc/23/69/31/601236931.db2.gz YFTCXJNYJXPBBW-RBZYPMLTSA-N -1 3 383.231 3.532 20 30 GHEDHM C=CCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000823894025 607538809 /nfs/dbraw/zinc/53/88/09/607538809.db2.gz FGUVKTOMHDXNCU-AWEZNQCLSA-N -1 3 390.369 3.651 20 30 GHEDHM C=CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000823894025 607538811 /nfs/dbraw/zinc/53/88/11/607538811.db2.gz FGUVKTOMHDXNCU-AWEZNQCLSA-N -1 3 390.369 3.651 20 30 GHEDHM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000740303413 602670255 /nfs/dbraw/zinc/67/02/55/602670255.db2.gz JHZZSKCIYMFYSI-SJORKVTESA-N -1 3 399.834 3.776 20 30 GHEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000823894720 607756432 /nfs/dbraw/zinc/75/64/32/607756432.db2.gz WQLTXIMTAVDANR-ZDUSSCGKSA-N -1 3 390.369 3.651 20 30 GHEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000823894720 607756433 /nfs/dbraw/zinc/75/64/33/607756433.db2.gz WQLTXIMTAVDANR-ZDUSSCGKSA-N -1 3 390.369 3.651 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000820842275 606087178 /nfs/dbraw/zinc/08/71/78/606087178.db2.gz LNGWBZGVRKXYPQ-MRXNPFEDSA-N -1 3 385.431 3.708 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000820842275 606087186 /nfs/dbraw/zinc/08/71/86/606087186.db2.gz LNGWBZGVRKXYPQ-MRXNPFEDSA-N -1 3 385.431 3.708 20 30 GHEDHM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822842355 606336335 /nfs/dbraw/zinc/33/63/35/606336335.db2.gz DSSOZOAFXFFGMP-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822842355 606336343 /nfs/dbraw/zinc/33/63/43/606336343.db2.gz DSSOZOAFXFFGMP-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc2ccccc2c1C ZINC000819746057 606362286 /nfs/dbraw/zinc/36/22/86/606362286.db2.gz ZAGZLBTVZFBGTO-UHFFFAOYSA-N -1 3 384.443 3.552 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc2ccccc2c1C ZINC000819746057 606362287 /nfs/dbraw/zinc/36/22/87/606362287.db2.gz ZAGZLBTVZFBGTO-UHFFFAOYSA-N -1 3 384.443 3.552 20 30 GHEDHM N#Cc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c1 ZINC000822845705 606496070 /nfs/dbraw/zinc/49/60/70/606496070.db2.gz FATMWDONHKIZRY-UHFFFAOYSA-N -1 3 384.490 3.773 20 30 GHEDHM N#Cc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c1 ZINC000822845705 606496071 /nfs/dbraw/zinc/49/60/71/606496071.db2.gz FATMWDONHKIZRY-UHFFFAOYSA-N -1 3 384.490 3.773 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000819744059 606601558 /nfs/dbraw/zinc/60/15/58/606601558.db2.gz UVZBATNRVBMWII-MRXNPFEDSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000819744059 606601560 /nfs/dbraw/zinc/60/15/60/606601560.db2.gz UVZBATNRVBMWII-MRXNPFEDSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000819743365 606743968 /nfs/dbraw/zinc/74/39/68/606743968.db2.gz HNOCVTSXPBLROQ-HNNXBMFYSA-N -1 3 394.454 3.773 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000819743365 606743970 /nfs/dbraw/zinc/74/39/70/606743970.db2.gz HNOCVTSXPBLROQ-HNNXBMFYSA-N -1 3 394.454 3.773 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819692773 606952315 /nfs/dbraw/zinc/95/23/15/606952315.db2.gz KROVVONYWVVFIO-UHFFFAOYSA-N -1 3 376.420 3.584 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819692773 606952317 /nfs/dbraw/zinc/95/23/17/606952317.db2.gz KROVVONYWVVFIO-UHFFFAOYSA-N -1 3 376.420 3.584 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819693920 606953694 /nfs/dbraw/zinc/95/36/94/606953694.db2.gz ZLGSSGFRAFFLGY-UHFFFAOYSA-N -1 3 376.420 3.584 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819693920 606953696 /nfs/dbraw/zinc/95/36/96/606953696.db2.gz ZLGSSGFRAFFLGY-UHFFFAOYSA-N -1 3 376.420 3.584 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3cccnc3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016210 607171410 /nfs/dbraw/zinc/17/14/10/607171410.db2.gz WJNHDFSFQIWNPE-KTKRTIGZSA-N -1 3 396.454 3.881 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3cccnc3)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016210 607171411 /nfs/dbraw/zinc/17/14/11/607171411.db2.gz WJNHDFSFQIWNPE-KTKRTIGZSA-N -1 3 396.454 3.881 20 30 GHEDHM C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)(C)C#N ZINC000824723799 607806076 /nfs/dbraw/zinc/80/60/76/607806076.db2.gz UPQCWZKJWHOLIC-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(C)(C)C#N ZINC000824723799 607806077 /nfs/dbraw/zinc/80/60/77/607806077.db2.gz UPQCWZKJWHOLIC-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM N#Cc1ccc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000826385776 608866378 /nfs/dbraw/zinc/86/63/78/608866378.db2.gz ZYBQJPQOOZZMGX-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1ccc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)cc1 ZINC000826385776 608866379 /nfs/dbraw/zinc/86/63/79/608866379.db2.gz ZYBQJPQOOZZMGX-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962620 609273805 /nfs/dbraw/zinc/27/38/05/609273805.db2.gz NIPWFTDQQOPEQU-UHFFFAOYSA-N -1 3 399.739 3.909 20 30 GHEDHM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962620 609273807 /nfs/dbraw/zinc/27/38/07/609273807.db2.gz NIPWFTDQQOPEQU-UHFFFAOYSA-N -1 3 399.739 3.909 20 30 GHEDHM CC(CCc1n[nH]c2ccccc12)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824413255 609473087 /nfs/dbraw/zinc/47/30/87/609473087.db2.gz JQFQRGQOADCVGB-UHFFFAOYSA-N -1 3 380.843 3.817 20 30 GHEDHM CC(CCc1n[nH]c2ccccc12)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824413255 609473089 /nfs/dbraw/zinc/47/30/89/609473089.db2.gz JQFQRGQOADCVGB-UHFFFAOYSA-N -1 3 380.843 3.817 20 30 GHEDHM C=CCOc1ccccc1CNc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823931818 609487889 /nfs/dbraw/zinc/48/78/89/609487889.db2.gz GGBZJRNQOUZGHI-UHFFFAOYSA-N -1 3 394.435 3.612 20 30 GHEDHM C=CCOc1ccccc1CNc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823931818 609487892 /nfs/dbraw/zinc/48/78/92/609487892.db2.gz GGBZJRNQOUZGHI-UHFFFAOYSA-N -1 3 394.435 3.612 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000023346052 834348228 /nfs/dbraw/zinc/34/82/28/834348228.db2.gz JHDUKVVDONECKK-UHFFFAOYSA-N -1 3 381.457 3.950 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000171211142 834870042 /nfs/dbraw/zinc/87/00/42/834870042.db2.gz QWFSIGIJLUXWIC-IBGZPJMESA-N -1 3 380.444 3.590 20 30 GHEDHM CCc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1ccc(Cl)cc1 ZINC000583756221 834986122 /nfs/dbraw/zinc/98/61/22/834986122.db2.gz UNPOJLFAMJUXFD-UHFFFAOYSA-N -1 3 380.901 3.770 20 30 GHEDHM O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1ncnc2sc3c(c21)CCC3 ZINC000008284723 835180124 /nfs/dbraw/zinc/18/01/24/835180124.db2.gz MDNOLWMZXFHUQO-UHFFFAOYSA-N -1 3 380.389 3.506 20 30 GHEDHM Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000154251679 835483929 /nfs/dbraw/zinc/48/39/29/835483929.db2.gz OMPNDYAVHFBGGS-IBGZPJMESA-N -1 3 381.476 3.841 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ncc(-c2ccccc2)o1 ZINC000151578265 835553313 /nfs/dbraw/zinc/55/33/13/835553313.db2.gz LYQSTDJOYJUHNV-LBPRGKRZSA-N -1 3 387.848 3.906 20 30 GHEDHM COc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc(OC)c1[O-] ZINC000179925815 836380851 /nfs/dbraw/zinc/38/08/51/836380851.db2.gz BDINBJRCPSEFNL-UHFFFAOYSA-N -1 3 388.423 3.878 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000728232046 836523126 /nfs/dbraw/zinc/52/31/26/836523126.db2.gz RKBQLJSYDHBICQ-BSDKJSHOSA-N -1 3 397.471 3.851 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]nc1-c1c(F)cccc1F ZINC000155671963 842143517 /nfs/dbraw/zinc/14/35/17/842143517.db2.gz JEKOQWWDDZSNIH-NSHDSACASA-N -1 3 377.354 3.732 20 30 GHEDHM C=CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000728868666 843287968 /nfs/dbraw/zinc/28/79/68/843287968.db2.gz LYEXQVGWJPESDT-UHFFFAOYSA-N -1 3 376.453 3.663 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC000067196941 843807409 /nfs/dbraw/zinc/80/74/09/843807409.db2.gz XLAAQODHKGUNIT-UHFFFAOYSA-N -1 3 387.842 3.568 20 30 GHEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1cc(C#N)ccc1OC(C)C)c2=O ZINC000433302936 843991219 /nfs/dbraw/zinc/99/12/19/843991219.db2.gz ZEJVNWCBKJUBSH-UHFFFAOYSA-N -1 3 379.391 3.887 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000279973362 844925030 /nfs/dbraw/zinc/92/50/30/844925030.db2.gz JLRGOUPOQRZILZ-AEFFLSMTSA-N -1 3 381.451 3.800 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181391226 844958269 /nfs/dbraw/zinc/95/82/69/844958269.db2.gz IFAAQBWCPPGOSA-GFCCVEGCSA-N -1 3 386.314 3.573 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2)cc1 ZINC000115342598 845892687 /nfs/dbraw/zinc/89/26/87/845892687.db2.gz DSUYLZXVNWJGOU-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2)cc1 ZINC000115342598 845892689 /nfs/dbraw/zinc/89/26/89/845892689.db2.gz DSUYLZXVNWJGOU-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM C=CCN(CC=C)[C@@H](CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)C(C)C ZINC000503140743 846827707 /nfs/dbraw/zinc/82/77/07/846827707.db2.gz LJQKIPBABBQFNM-HNNXBMFYSA-N -1 3 391.566 3.509 20 30 GHEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000121960096 848524197 /nfs/dbraw/zinc/52/41/97/848524197.db2.gz BQWSVLACRBUCBT-ZETCQYMHSA-N -1 3 393.152 3.693 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)c(F)c1 ZINC000572932815 849032807 /nfs/dbraw/zinc/03/28/07/849032807.db2.gz WJWSLFNUAQKMGE-UHFFFAOYSA-N -1 3 382.819 3.656 20 30 GHEDHM COc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC000436609805 852108190 /nfs/dbraw/zinc/10/81/90/852108190.db2.gz WJTGWOMHBLOURF-OAQYLSRUSA-N -1 3 388.423 3.974 20 30 GHEDHM C=C(C)[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(F)c(F)c1 ZINC000436947599 852530669 /nfs/dbraw/zinc/53/06/69/852530669.db2.gz RHJAMDGCATVILV-HXUWFJFHSA-N -1 3 388.414 3.532 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473858275 852920721 /nfs/dbraw/zinc/92/07/21/852920721.db2.gz VBDDWJRFKUMSBM-HNNXBMFYSA-N -1 3 381.354 3.519 20 30 GHEDHM COC(=O)C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ccc(OC)cc1 ZINC000732770237 862484930 /nfs/dbraw/zinc/48/49/30/862484930.db2.gz YCZOUFQPLKTRAC-VBNMEBLOSA-N -1 3 392.249 3.887 20 30 GHEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 ZINC000517371788 853721467 /nfs/dbraw/zinc/72/14/67/853721467.db2.gz GUBXFRZNIGKTAS-LJQANCHMSA-N -1 3 390.436 3.656 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000055192972 855285258 /nfs/dbraw/zinc/28/52/58/855285258.db2.gz LTZULYWXAJOKIS-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000055192972 855285269 /nfs/dbraw/zinc/28/52/69/855285269.db2.gz LTZULYWXAJOKIS-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM CCOc1cccnc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000482124148 862734467 /nfs/dbraw/zinc/73/44/67/862734467.db2.gz QRJYWQFUDFLRKH-UHFFFAOYSA-N -1 3 397.485 3.748 20 30 GHEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C12CC3CC(CC(C3)C1)C2 ZINC000060950605 856401373 /nfs/dbraw/zinc/40/13/73/856401373.db2.gz BSNQJOYGSVYHTF-UHFFFAOYSA-N -1 3 381.520 3.613 20 30 GHEDHM C=CC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000110968398 856719242 /nfs/dbraw/zinc/71/92/42/856719242.db2.gz LXRNTBDWPSJXQL-UHFFFAOYSA-N -1 3 388.464 3.665 20 30 GHEDHM CCC(CC)(CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000173390803 856901679 /nfs/dbraw/zinc/90/16/79/856901679.db2.gz IBVYMNUIZFPVLC-UHFFFAOYSA-N -1 3 379.504 3.670 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C(C)(C)C)n2)cc1 ZINC000131823328 856998116 /nfs/dbraw/zinc/99/81/16/856998116.db2.gz BJGJVPBRHVWGMF-INIZCTEOSA-N -1 3 382.464 3.731 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000172744275 857058723 /nfs/dbraw/zinc/05/87/23/857058723.db2.gz RCSCFUJBICIENS-VHFSOBRXSA-N -1 3 377.488 3.589 20 30 GHEDHM Cc1ccc(NC(=O)c2ccc(C#N)o2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000428123928 857121837 /nfs/dbraw/zinc/12/18/37/857121837.db2.gz YLYOZJVXRUNQMP-UHFFFAOYSA-N -1 3 399.403 3.652 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)ccc1F ZINC001128211940 857263364 /nfs/dbraw/zinc/26/33/64/857263364.db2.gz VEBOFVKFXIRQPW-RDJZCZTQSA-N -1 3 396.528 3.625 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000019676352 857717141 /nfs/dbraw/zinc/71/71/41/857717141.db2.gz IJXFRPNRPUTRSQ-UHFFFAOYSA-N -1 3 377.416 3.749 20 30 GHEDHM C=CC[C@H](CC)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000281286984 862949289 /nfs/dbraw/zinc/94/92/89/862949289.db2.gz IJJGFDZXKUARGZ-HNNXBMFYSA-N -1 3 379.888 3.760 20 30 GHEDHM O=C1[C@@H](/N=C\c2cc(Br)ccc2[O-])CCCN1c1ccccc1F ZINC000761183329 858925590 /nfs/dbraw/zinc/92/55/90/858925590.db2.gz YPLUTGFNIFUOEZ-SYZMQFJCSA-N -1 3 391.240 3.908 20 30 GHEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCCCC#N)ccc2C)c(C)c1 ZINC000543310331 859223388 /nfs/dbraw/zinc/22/33/88/859223388.db2.gz XCOGKARTGNSKSH-UHFFFAOYSA-N -1 3 399.516 3.755 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1Cc1ccncc1 ZINC000483242034 859235678 /nfs/dbraw/zinc/23/56/78/859235678.db2.gz XAABZCOFTSGMGN-LJQANCHMSA-N -1 3 381.439 3.982 20 30 GHEDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)n[n-]2)o1 ZINC000764337618 859399942 /nfs/dbraw/zinc/39/99/42/859399942.db2.gz ISSAPKCBACWBES-UHFFFAOYSA-N -1 3 386.415 3.905 20 30 GHEDHM Cc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1ccc(C)cc1 ZINC000593371670 859652455 /nfs/dbraw/zinc/65/24/55/859652455.db2.gz OYOKZMUYVHAXBX-UHFFFAOYSA-N -1 3 389.459 3.650 20 30 GHEDHM CCC[C@H](CCCS(C)(=O)=O)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171503 860200415 /nfs/dbraw/zinc/20/04/15/860200415.db2.gz OHCJQRZFSXEGAD-QGZVFWFLSA-N -1 3 377.506 3.799 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2)c1 ZINC000728015347 860353199 /nfs/dbraw/zinc/35/31/99/860353199.db2.gz OYDOJGBROCXVPN-HYARGMPZSA-N -1 3 395.418 3.860 20 30 GHEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603046119 860456674 /nfs/dbraw/zinc/45/66/74/860456674.db2.gz XCAVYYCQMVPGAF-JTQLQIEISA-N -1 3 385.777 3.617 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000128686467 863284100 /nfs/dbraw/zinc/28/41/00/863284100.db2.gz FKTQAKKQPVLNTM-INIZCTEOSA-N -1 3 389.367 3.718 20 30 GHEDHM N#CCn1c(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc2ccccc21 ZINC000609202129 881707955 /nfs/dbraw/zinc/70/79/55/881707955.db2.gz IBPDPRYXNQEMQO-UHFFFAOYSA-N -1 3 375.819 3.883 20 30 GHEDHM C=CC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccncc1 ZINC000734515764 864271690 /nfs/dbraw/zinc/27/16/90/864271690.db2.gz QIDZGJYGGIOQRW-GOSISDBHSA-N -1 3 375.432 3.992 20 30 GHEDHM CCOc1ccc(O)c(C=Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000740763560 865988432 /nfs/dbraw/zinc/98/84/32/865988432.db2.gz KWWHLMKBWIZJLD-UHFFFAOYSA-N -1 3 394.468 3.757 20 30 GHEDHM N#Cc1ccnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1Cl ZINC000552963184 866563895 /nfs/dbraw/zinc/56/38/95/866563895.db2.gz VSMYRVWWRNGZJJ-UHFFFAOYSA-N -1 3 391.258 3.821 20 30 GHEDHM Fc1ccc2oc(C=Nn3c(=S)[n-]nc3[C@H]3COc4ccccc4O3)cc2c1 ZINC000741759755 866768261 /nfs/dbraw/zinc/76/82/61/866768261.db2.gz XNPQNRHBRHXVQS-QGZVFWFLSA-N -1 3 396.403 3.847 20 30 GHEDHM CCCc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000857205587 882115816 /nfs/dbraw/zinc/11/58/16/882115816.db2.gz DWKYGFJCVQCPPJ-INIZCTEOSA-N -1 3 386.502 3.976 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)s1 ZINC000535137160 868237324 /nfs/dbraw/zinc/23/73/24/868237324.db2.gz INVUYHRVBYKRJG-GFCCVEGCSA-N -1 3 377.329 3.570 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C1CC1 ZINC000744033642 868562556 /nfs/dbraw/zinc/56/25/56/868562556.db2.gz SZWXDLQJWDFGAM-ZDUSSCGKSA-N -1 3 377.231 3.565 20 30 GHEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC001193150897 870920342 /nfs/dbraw/zinc/92/03/42/870920342.db2.gz KNEYJZLENWQEKG-SNVBAGLBSA-N -1 3 377.263 3.674 20 30 GHEDHM C[C@H](C(=O)OC(C)(C)C)c1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001193452202 871094454 /nfs/dbraw/zinc/09/44/54/871094454.db2.gz DWHQUZQWPNIOGG-ZDUSSCGKSA-N -1 3 383.448 3.571 20 30 GHEDHM O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[N-]CC(F)(F)F ZINC000540519244 871516781 /nfs/dbraw/zinc/51/67/81/871516781.db2.gz GKPHHBBTIFHKKQ-SNVBAGLBSA-N -1 3 382.226 3.577 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c(F)c1F ZINC001194498984 871750350 /nfs/dbraw/zinc/75/03/50/871750350.db2.gz URKOLIAFUZABNX-UHFFFAOYSA-N -1 3 379.775 3.839 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447715217 872194211 /nfs/dbraw/zinc/19/42/11/872194211.db2.gz OZWTZKLYNCWVGX-QGZVFWFLSA-N -1 3 395.356 3.609 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CSc3ccc(Br)cc32)c1[O-] ZINC000775740028 873320530 /nfs/dbraw/zinc/32/05/30/873320530.db2.gz JQPUDNXDMGKDLY-WXIYXRQSSA-N -1 3 379.279 3.616 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1nc(-c2cccc(F)c2)no1 ZINC000775742416 873331884 /nfs/dbraw/zinc/33/18/84/873331884.db2.gz XKRLYGXWXIYJFM-UFWORHAWSA-N -1 3 376.185 3.963 20 30 GHEDHM CC(C)(C)c1nnc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)cn21 ZINC000769282224 873943017 /nfs/dbraw/zinc/94/30/17/873943017.db2.gz NGEJLCKIXWXJDT-ZDUSSCGKSA-N -1 3 395.850 3.641 20 30 GHEDHM CCc1nc(-c2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2)n[nH]1 ZINC000464479024 873971540 /nfs/dbraw/zinc/97/15/40/873971540.db2.gz VPTJVCDRSNTSCA-AWEZNQCLSA-N -1 3 385.349 3.938 20 30 GHEDHM C#CCN(Cc1nc(C)ccc1[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC000769402925 874023198 /nfs/dbraw/zinc/02/31/98/874023198.db2.gz AMWWSDKLLSOPLK-QGZVFWFLSA-N -1 3 387.277 3.817 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NCc1c[nH]c3cc(Cl)ccc13)[n-]c2=O ZINC000769808563 874299362 /nfs/dbraw/zinc/29/93/62/874299362.db2.gz KOVBKCQDHMMOGC-UHFFFAOYSA-N -1 3 383.843 3.868 20 30 GHEDHM N#CC(=C([O-])c1ccc(N2CCOCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000770118121 874474500 /nfs/dbraw/zinc/47/45/00/874474500.db2.gz GUWZKIUUULGANP-SFHVURJKSA-N -1 3 390.468 3.532 20 30 GHEDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c2ccccn2)c1 ZINC000129874080 874922618 /nfs/dbraw/zinc/92/26/18/874922618.db2.gz SDTPIMAWTHLDMX-FQEVSTJZSA-N -1 3 397.887 3.983 20 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/nfs/dbraw/zinc/37/61/31/877376131.db2.gz FCMVAVJEJAJGLD-FQEVSTJZSA-N -1 3 384.407 3.904 20 30 GHEDHM CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cc(OC)cc(OC)c1 ZINC000851472214 877731164 /nfs/dbraw/zinc/73/11/64/877731164.db2.gz NULXKILVRFLJFJ-HXUWFJFHSA-N -1 3 398.459 3.920 20 30 GHEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000110052907 877786628 /nfs/dbraw/zinc/78/66/28/877786628.db2.gz TZZHUVKXWSMCDS-UHFFFAOYSA-N -1 3 397.394 3.543 20 30 GHEDHM N#C[C@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC001183110446 912291960 /nfs/dbraw/zinc/29/19/60/912291960.db2.gz CYOWXNLVOFNJHO-JTQLQIEISA-N -1 3 387.230 3.809 20 30 GHEDHM N#C[C@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC001183110446 912291976 /nfs/dbraw/zinc/29/19/76/912291976.db2.gz CYOWXNLVOFNJHO-JTQLQIEISA-N -1 3 387.230 3.809 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1Cl ZINC000055555266 878036664 /nfs/dbraw/zinc/03/66/64/878036664.db2.gz RLDLXRVUMPUSHE-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000179981870 878296018 /nfs/dbraw/zinc/29/60/18/878296018.db2.gz YIQARWGSSUIINB-AWEZNQCLSA-N -1 3 375.787 3.622 20 30 GHEDHM CCc1c(C)sc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C#N ZINC000068678061 878840972 /nfs/dbraw/zinc/84/09/72/878840972.db2.gz HYKIESDFLKUBLN-UHFFFAOYSA-N -1 3 375.406 3.668 20 30 GHEDHM C=CCN(Cc1ccccc1F)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640292634 881291822 /nfs/dbraw/zinc/29/18/22/881291822.db2.gz NFMJVUNQALQAMF-UHFFFAOYSA-N -1 3 390.768 3.880 20 30 GHEDHM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1Cl ZINC000609819064 883695929 /nfs/dbraw/zinc/69/59/29/883695929.db2.gz OXTBONARMRUWKT-WMZOPIPTSA-N -1 3 390.892 3.916 20 30 GHEDHM COc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1[O-] ZINC000033602437 884124848 /nfs/dbraw/zinc/12/48/48/884124848.db2.gz AWNZPPJZBKJCNO-UQCOIBPSSA-N -1 3 378.178 3.968 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000860468220 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3.751 20 30 GHEDHM N#Cc1cc(Br)cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1 ZINC001185134040 913687376 /nfs/dbraw/zinc/68/73/76/913687376.db2.gz IJMBKAWAMFVQTK-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM CC(C)(C)OC(=O)NC(=CNNc1ccccc1C(=O)[O-])CC(F)(F)F ZINC000814768623 893153075 /nfs/dbraw/zinc/15/30/75/893153075.db2.gz FSRHIHRQNBTIBY-SNVBAGLBSA-N -1 3 375.347 3.628 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ncccc2C2CCC2)c(C)c1[O-] ZINC001185277197 913772717 /nfs/dbraw/zinc/77/27/17/913772717.db2.gz HZKYEXNXYQFYDN-UHFFFAOYSA-N -1 3 379.416 3.664 20 30 GHEDHM Cc1csc([N-]C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c1C#N ZINC000288811233 913888478 /nfs/dbraw/zinc/88/84/78/913888478.db2.gz MHFDQSIILMYDJB-UHFFFAOYSA-N -1 3 398.513 3.987 20 30 GHEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000816695891 895026597 /nfs/dbraw/zinc/02/65/97/895026597.db2.gz MZQMCIMRDUDXIH-MRXNPFEDSA-N -1 3 388.489 3.719 20 30 GHEDHM Cc1cc(C(C#N)=C([O-])c2cc([N+](=O)[O-])cc(Br)c2C)nc(C)n1 ZINC000564718961 895208327 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901047695 /nfs/dbraw/zinc/04/76/95/901047695.db2.gz SHOWPZHNQFGWCI-UHFFFAOYSA-N -1 3 398.438 3.502 20 30 GHEDHM COc1cc(C(=O)[N-]c2ccccc2SCCC#N)c([N+](=O)[O-])cc1OC ZINC000574995543 901078135 /nfs/dbraw/zinc/07/81/35/901078135.db2.gz FWDSUOYXEUIWAB-UHFFFAOYSA-N -1 3 387.417 3.870 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845844558 902409467 /nfs/dbraw/zinc/40/94/67/902409467.db2.gz SCIXZHBBGNXIQL-SFHVURJKSA-N -1 3 390.395 3.567 20 30 GHEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)n1ccc2ccccc2c1=O ZINC000845844566 902411351 /nfs/dbraw/zinc/41/13/51/902411351.db2.gz SEMMIPPYZFUUJJ-OXQOHEQNSA-N -1 3 384.435 3.572 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC000047991984 902723394 /nfs/dbraw/zinc/72/33/94/902723394.db2.gz IRXJRODHWDJIBX-UHFFFAOYSA-N -1 3 395.440 3.863 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000134991698 903606470 /nfs/dbraw/zinc/60/64/70/903606470.db2.gz PLWXMWCQXAQISH-CYBMUJFWSA-N -1 3 385.895 3.539 20 30 GHEDHM N#Cc1ccc(-c2ccc(-c3noc(-c4c[n-]c(=O)c([N+](=O)[O-])c4)n3)cc2)cc1 ZINC001212844518 903730718 /nfs/dbraw/zinc/73/07/18/903730718.db2.gz YDFXMKTWAWZUDC-UHFFFAOYSA-N -1 3 385.339 3.951 20 30 GHEDHM O=C1CCCN1Cc1ccccc1C/N=C/c1cc(Br)ccc1[O-] ZINC000192753880 907878125 /nfs/dbraw/zinc/87/81/25/907878125.db2.gz KHZINIJYPLSOKS-CIAFOILYSA-N -1 3 387.277 3.896 20 30 GHEDHM N#Cc1ccccc1COc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001178409663 909047097 /nfs/dbraw/zinc/04/70/97/909047097.db2.gz HOKDMKNGYAQDFB-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM CCOCc1ccc(C(=O)Nc2c(C)c([O-])c(C(=O)OCC)cc2C#N)cc1 ZINC001187104324 915013471 /nfs/dbraw/zinc/01/34/71/915013471.db2.gz NGMSWUVBZRWSAX-UHFFFAOYSA-N -1 3 382.416 3.538 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)C(C)C)cc1 ZINC001188013174 915705667 /nfs/dbraw/zinc/70/56/67/915705667.db2.gz OTEMUJUULMMFLT-UHFFFAOYSA-N -1 3 375.556 3.971 20 30 GHEDHM CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)c1cnn[n-]1 ZINC001189338397 916565167 /nfs/dbraw/zinc/56/51/67/916565167.db2.gz SABSHANPQYPXDN-UHFFFAOYSA-N -1 3 385.431 3.700 20 30 GHEDHM CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)c1c[n-]nn1 ZINC001189338397 916565177 /nfs/dbraw/zinc/56/51/77/916565177.db2.gz SABSHANPQYPXDN-UHFFFAOYSA-N -1 3 385.431 3.700 20 30 GHEDHM CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)c1cn[n-]n1 ZINC001189338397 916565196 /nfs/dbraw/zinc/56/51/96/916565196.db2.gz SABSHANPQYPXDN-UHFFFAOYSA-N -1 3 385.431 3.700 20 30 GHEDHM O=S(=O)([N-]Cc1c(F)cc(F)cc1F)c1cc(C(F)(F)F)ccc1F ZINC001190339028 917270871 /nfs/dbraw/zinc/27/08/71/917270871.db2.gz DNVGWQLCELLIEL-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Br)c1 ZINC001190650260 917479773 /nfs/dbraw/zinc/47/97/73/917479773.db2.gz BNQQRQATJALCOD-UHFFFAOYSA-N -1 3 383.242 3.878 20 30 GHEDHM CCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Br)c1 ZINC001190657667 917488193 /nfs/dbraw/zinc/48/81/93/917488193.db2.gz GBPVEVCVWQJFRE-UHFFFAOYSA-N -1 3 383.242 3.823 20 30 GHEDHM CC(=O)c1cc(F)cc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1[O-] ZINC000796514813 917946413 /nfs/dbraw/zinc/94/64/13/917946413.db2.gz SKCZWICTNQWDGF-UHFFFAOYSA-N -1 3 386.398 3.788 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1ccc(C#N)nc1 ZINC000115904070 919481560 /nfs/dbraw/zinc/48/15/60/919481560.db2.gz MZFWQMDFKDWTIN-GOSISDBHSA-N -1 3 382.379 3.707 20 30 GHEDHM Cn1cc(-c2nc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)cs2)cn1 ZINC000901379935 921056417 /nfs/dbraw/zinc/05/64/17/921056417.db2.gz IVAYQTXPSDCRNZ-UHFFFAOYSA-N -1 3 383.260 3.882 20 30 GHEDHM CC(=O)N[C@@H](CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000901379593 921057149 /nfs/dbraw/zinc/05/71/49/921057149.db2.gz JSHFSIHQLBVZHJ-KRWDZBQOSA-N -1 3 381.259 3.979 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000371566485 924678789 /nfs/dbraw/zinc/67/87/89/924678789.db2.gz XQIAZLLPMQUZOA-LJQANCHMSA-N -1 3 392.484 3.571 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@H](C)C2 ZINC000411008896 925992801 /nfs/dbraw/zinc/99/28/01/925992801.db2.gz IXIITDFTSPREAL-VHSXEESVSA-N -1 3 396.472 3.706 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1 ZINC000726319523 926624088 /nfs/dbraw/zinc/62/40/88/926624088.db2.gz JRIXTQMFFURCFE-INIZCTEOSA-N -1 3 395.415 3.689 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000726427411 926659349 /nfs/dbraw/zinc/65/93/49/926659349.db2.gz LTEAOIQTCKUVLC-RUDMXATFSA-N -1 3 395.864 3.712 20 30 GHEDHM C#CC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccccc1 ZINC000757621607 929747806 /nfs/dbraw/zinc/74/78/06/929747806.db2.gz HCFHACPGYSJWML-MRXNPFEDSA-N -1 3 395.256 3.785 20 30 GHEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c([O-])c1Br ZINC000546203786 929956096 /nfs/dbraw/zinc/95/60/96/929956096.db2.gz AUDHJKNQSSWJHM-QGZVFWFLSA-N -1 3 389.249 3.916 20 30 GHEDHM COc1cc(C(=O)/C=C/c2c(Cl)n(C)nc2C(F)(F)F)c(OC)cc1[O-] ZINC000758931842 930218303 /nfs/dbraw/zinc/21/83/03/930218303.db2.gz PODGNPNRASGMME-SNAWJCMRSA-N -1 3 390.745 3.711 20 30 GHEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC2(C#N)CCCCC2)ccc1F ZINC000780484518 930530765 /nfs/dbraw/zinc/53/07/65/930530765.db2.gz WNBWAJHAKJKMEW-UHFFFAOYSA-N -1 3 396.484 3.533 20 30 GHEDHM C#CCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000780930741 930642576 /nfs/dbraw/zinc/64/25/76/930642576.db2.gz FCGMNAUTKFFJPO-UHFFFAOYSA-N -1 3 376.400 3.599 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc([C@@H]3CCCOC3)nc2C)cc1 ZINC000796742775 932050401 /nfs/dbraw/zinc/05/04/01/932050401.db2.gz CUEHUQYYLGZWNF-WBVHZDCISA-N -1 3 397.500 3.869 20 30 GHEDHM C=CC[C@@H](CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000799035517 932858324 /nfs/dbraw/zinc/85/83/24/932858324.db2.gz ZRTBRZZIESFLHQ-SNVBAGLBSA-N -1 3 391.320 3.519 20 30 GHEDHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1c[nH]c(C(F)(F)F)c1 ZINC001117647175 933970280 /nfs/dbraw/zinc/97/02/80/933970280.db2.gz IQSPEAVNBDJEDG-UHFFFAOYSA-N -1 3 376.253 3.992 20 30 GHEDHM N#CC(=C([O-])c1cncc(OCC(F)F)c1)c1nc2ccccc2n1C(F)F ZINC001122499633 934883993 /nfs/dbraw/zinc/88/39/93/934883993.db2.gz HVXJSDAMTZECNE-LBPRGKRZSA-N -1 3 392.312 3.960 20 30 GHEDHM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)n1 ZINC001122624699 934924597 /nfs/dbraw/zinc/92/45/97/934924597.db2.gz LKOXJAVGXWCPFC-ZDUSSCGKSA-N -1 3 383.864 3.587 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001122637440 934929130 /nfs/dbraw/zinc/92/91/30/934929130.db2.gz VUGFDOVZUQFHBX-BETUJISGSA-N -1 3 399.545 3.636 20 30 GHEDHM CCOC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1C#N ZINC001137705434 935735306 /nfs/dbraw/zinc/73/53/06/935735306.db2.gz PCNLVDXURGUEOE-UHFFFAOYSA-N -1 3 379.416 3.963 20 30 GHEDHM C=CC1(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCCC1 ZINC001573315231 947245111 /nfs/dbraw/zinc/24/51/11/947245111.db2.gz KHYIAPZAOYKFAC-UHFFFAOYSA-N -1 3 390.831 3.893 20 30 GHEDHM C=CC1(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCCC1 ZINC001573315231 947245121 /nfs/dbraw/zinc/24/51/21/947245121.db2.gz KHYIAPZAOYKFAC-UHFFFAOYSA-N -1 3 390.831 3.893 20 30 GHEDHM C=CC1(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCCCC1 ZINC001573316624 947280640 /nfs/dbraw/zinc/28/06/40/947280640.db2.gz XJJYFOFSRBSSOH-UHFFFAOYSA-N -1 3 377.395 3.933 20 30 GHEDHM C=CC1(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCCCC1 ZINC001573316624 947280647 /nfs/dbraw/zinc/28/06/47/947280647.db2.gz XJJYFOFSRBSSOH-UHFFFAOYSA-N -1 3 377.395 3.933 20 30 GHEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573587198 947302299 /nfs/dbraw/zinc/30/22/99/947302299.db2.gz XSEIMOWZIRZAOK-GFCCVEGCSA-N -1 3 389.419 3.679 20 30 GHEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573587198 947302314 /nfs/dbraw/zinc/30/23/14/947302314.db2.gz XSEIMOWZIRZAOK-GFCCVEGCSA-N -1 3 389.419 3.679 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CCCC ZINC001573334872 947467670 /nfs/dbraw/zinc/46/76/70/947467670.db2.gz ITFXUMVIKICSFN-UHFFFAOYSA-N -1 3 380.500 3.718 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CCCC ZINC001573334872 947467675 /nfs/dbraw/zinc/46/76/75/947467675.db2.gz ITFXUMVIKICSFN-UHFFFAOYSA-N -1 3 380.500 3.718 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001573335478 947479180 /nfs/dbraw/zinc/47/91/80/947479180.db2.gz PFSPZJDXCJORNW-CVEARBPZSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001573335478 947479188 /nfs/dbraw/zinc/47/91/88/947479188.db2.gz PFSPZJDXCJORNW-CVEARBPZSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCN(CC=C)C(=O)Nc1cnc(Oc2ccccc2-c2nnn[n-]2)cc1C ZINC001573340919 947520551 /nfs/dbraw/zinc/52/05/51/947520551.db2.gz CKYIIMBRZYSGLY-UHFFFAOYSA-N -1 3 391.435 3.568 20 30 GHEDHM C=CCN(CC=C)C(=O)Nc1cnc(Oc2ccccc2-c2nn[n-]n2)cc1C ZINC001573340919 947520561 /nfs/dbraw/zinc/52/05/61/947520561.db2.gz CKYIIMBRZYSGLY-UHFFFAOYSA-N -1 3 391.435 3.568 20 30 GHEDHM N#CC(=C([O-])c1ccc(NC(=O)CSc2cccs2)cc1)c1ccncn1 ZINC000546860438 1016755387 /nfs/dbraw/zinc/75/53/87/1016755387.db2.gz GKPCGAWIQPDICB-HNNXBMFYSA-N -1 3 394.481 3.759 20 30 GHEDHM C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3nc(C(=O)OC)ccc3[O-])[C@@H]12 ZINC001227819710 1032628369 /nfs/dbraw/zinc/62/83/69/1032628369.db2.gz GELUVCYDXNXCHI-AUYUIXBLSA-N -1 3 381.428 3.980 20 30 GHEDHM CCCc1c([O-])ccc(C(C)=O)c1OC1CCN(c2cc(C#N)ccn2)CC1 ZINC001228135097 1032803159 /nfs/dbraw/zinc/80/31/59/1032803159.db2.gz VOOFJVBYQOBGDU-UHFFFAOYSA-N -1 3 379.460 3.862 20 30 GHEDHM C#C[C@H](CC)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000754354756 1022637004 /nfs/dbraw/zinc/63/70/04/1022637004.db2.gz VFWNGMDTIXSQGT-LJQANCHMSA-N -1 3 398.528 3.863 20 30 GHEDHM Cc1ncc(CO)c(C=NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000755030714 1023031877 /nfs/dbraw/zinc/03/18/77/1023031877.db2.gz CMGTYKBJCDUJOW-WSDLNYQXSA-N -1 3 385.464 3.597 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCN(Cc3cc(F)c([O-])c(F)c3)CC2)CC1 ZINC001140988298 1023092140 /nfs/dbraw/zinc/09/21/40/1023092140.db2.gz WCTHIOLRGTVZSS-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM C[C@@H]1Oc2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC001163765548 1026308999 /nfs/dbraw/zinc/30/89/99/1026308999.db2.gz GTVFPUGQKZLBRN-VIFPVBQESA-N -1 3 381.310 3.553 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(Nc3ccc(C(N)=O)c([O-])c3)c2)cc1 ZINC001210812680 1027661969 /nfs/dbraw/zinc/66/19/69/1027661969.db2.gz NZOJQNYGYVPIKW-UHFFFAOYSA-N -1 3 389.411 3.694 20 30 GHEDHM CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cc([O-])cc2Cl)[C@H](C#N)C1 ZINC001142105691 1028115299 /nfs/dbraw/zinc/11/52/99/1028115299.db2.gz KFUBJYKQGHYKDS-LLVKDONJSA-N -1 3 386.279 3.644 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccc1N1CCOCC1 ZINC000842682167 1029487648 /nfs/dbraw/zinc/48/76/48/1029487648.db2.gz OEVOKHUSSRNYLS-MRXNPFEDSA-N -1 3 377.469 3.931 20 30 GHEDHM N#Cc1c2c(sc1[N-]C(=O)c1nc3c(Cl)nc4ccccc4n3n1)CCC2 ZINC001149971270 1030365538 /nfs/dbraw/zinc/36/55/38/1030365538.db2.gz HRCKNRFHZVIIBD-UHFFFAOYSA-N -1 3 394.847 3.605 20 30 GHEDHM [O-]/N=C(\O[C@H]1CCN2Cc3ccccc3N=C12)c1ccccc1Br ZINC001223885203 1030787409 /nfs/dbraw/zinc/78/74/09/1030787409.db2.gz AGWBLCNJWMTANS-XMMQZVGTSA-N -1 3 386.249 3.920 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@H](CC(=O)[N-]Oc2cccc(C#N)c2)c2ccccc21 ZINC001151438081 1030909575 /nfs/dbraw/zinc/90/95/75/1030909575.db2.gz VLCKLBUOWNBAOX-INIZCTEOSA-N -1 3 393.443 3.897 20 30 GHEDHM N#Cc1ccc(F)c(F)c1NC(=O)c1nc2cc(Br)ccc2[n-]1 ZINC001151827132 1031022905 /nfs/dbraw/zinc/02/29/05/1031022905.db2.gz XAVNSNJKGXGTRX-UHFFFAOYSA-N -1 3 377.148 3.728 20 30 GHEDHM N#Cc1ccc(F)c(F)c1NC(=O)c1nc2ccc(Br)cc2[n-]1 ZINC001151827132 1031022915 /nfs/dbraw/zinc/02/29/15/1031022915.db2.gz XAVNSNJKGXGTRX-UHFFFAOYSA-N -1 3 377.148 3.728 20 30 GHEDHM C=C(C)CN1CC[C@@]2(CCCN(Cc3cc(Cl)c([O-])cc3F)CC2)C1=O ZINC001277056850 1031492406 /nfs/dbraw/zinc/49/24/06/1031492406.db2.gz KIUYEKUCTOEYJQ-FQEVSTJZSA-N -1 3 380.891 3.965 20 30 GHEDHM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@@H]3CNCc4ccsc43)c2)c1 ZINC001219828976 1031644878 /nfs/dbraw/zinc/64/48/78/1031644878.db2.gz JFURJJGNHKZVGF-LJQANCHMSA-N -1 3 375.453 3.567 20 30 GHEDHM C#Cc1ccc(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)cc1F ZINC001153878818 1031788530 /nfs/dbraw/zinc/78/85/30/1031788530.db2.gz SFOSBLNQPNOGSF-UHFFFAOYSA-N -1 3 385.192 3.663 20 30 GHEDHM Cc1cc(Br)cc2cc(C(=O)N([O-])C(=N)c3ccccc3N)[nH]c21 ZINC001153967821 1031844006 /nfs/dbraw/zinc/84/40/06/1031844006.db2.gz UIMZFEZKNBAEOO-UHFFFAOYSA-N -1 3 387.237 3.678 20 30 GHEDHM O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC001220241193 1031854149 /nfs/dbraw/zinc/85/41/49/1031854149.db2.gz KMLOSTZXERAFIB-OAHLLOKOSA-N -1 3 375.812 3.634 20 30 GHEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)C1 ZINC001231456192 1034600499 /nfs/dbraw/zinc/60/04/99/1034600499.db2.gz NHMBVFIBNAZKRU-UHFFFAOYSA-N -1 3 390.455 3.525 20 30 GHEDHM N#Cc1ccc(N2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)c(F)c1 ZINC001231525722 1034678974 /nfs/dbraw/zinc/67/89/74/1034678974.db2.gz GXWUBLHFSYXODN-UHFFFAOYSA-N -1 3 379.357 3.744 20 30 GHEDHM COC(=O)C[C@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])C1CCCCC1 ZINC001160558727 1035002631 /nfs/dbraw/zinc/00/26/31/1035002631.db2.gz UKVYPIPZFCCLAE-BEAUZRKQSA-N -1 3 386.905 3.584 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H](C(=O)N([O-])CCCCc1ccccc1)C1CCC1 ZINC001161819361 1035308128 /nfs/dbraw/zinc/30/81/28/1035308128.db2.gz QQHBNJMLQBAZBL-GOSISDBHSA-N -1 3 376.497 3.921 20 30 GHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=S)NC(=O)c1ccc(Cl)cc1 ZINC001248151548 1035575169 /nfs/dbraw/zinc/57/51/69/1035575169.db2.gz MBPVIVVWXCJFSX-UHFFFAOYSA-N -1 3 393.859 3.795 20 30 GHEDHM N#Cc1ccc([O-])c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001232674023 1038472358 /nfs/dbraw/zinc/47/23/58/1038472358.db2.gz PSIZAMBWCPOGJT-UHFFFAOYSA-N -1 3 375.394 3.600 20 30 GHEDHM N#Cc1cccc(N2C[C@]3(CCN(Cc4cccc([O-])c4Cl)C3)CC2=O)c1 ZINC001232788065 1038555058 /nfs/dbraw/zinc/55/50/58/1038555058.db2.gz ZAHNZQPCONBJAH-OAQYLSRUSA-N -1 3 381.863 3.546 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCN(Cc3cc([O-])c(F)c(F)c3)CC2)CC1 ZINC001232968276 1038741338 /nfs/dbraw/zinc/74/13/38/1038741338.db2.gz GQMOTLZUPGORKW-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM [O-]c1c(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cccc1C(F)(F)F ZINC001233415925 1039269880 /nfs/dbraw/zinc/26/98/80/1039269880.db2.gz OLUFSRTXGLPPLH-WCQYABFASA-N -1 3 375.284 3.638 20 30 GHEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001277831538 1039839948 /nfs/dbraw/zinc/83/99/48/1039839948.db2.gz YLUYQHJGGZOYHS-CQSZACIVSA-N -1 3 383.319 3.993 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1 ZINC001259124868 1044971173 /nfs/dbraw/zinc/97/11/73/1044971173.db2.gz WDBXJPITXXUEQR-UHFFFAOYSA-N -1 3 395.406 3.978 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2F)c1 ZINC001259124679 1044971178 /nfs/dbraw/zinc/97/11/78/1044971178.db2.gz DEQKLBSONHLRAZ-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001306897135 1048949909 /nfs/dbraw/zinc/94/99/09/1048949909.db2.gz ZZRZJGYIGNGDCF-CYBMUJFWSA-N -1 3 383.286 3.600 20 30 GHEDHM CC(=O)N[C@H](CC(=O)N([O-])CCCCc1ccccc1)c1c(F)cccc1F ZINC001306896496 1048949988 /nfs/dbraw/zinc/94/99/88/1048949988.db2.gz ZIIZFOFPHJZRRU-LJQANCHMSA-N -1 3 390.430 3.773 20 30 GHEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc2cc(Cl)ccc2o1 ZINC001309758212 1050958552 /nfs/dbraw/zinc/95/85/52/1050958552.db2.gz SWUOQOXRJQDNHL-UHFFFAOYSA-N -1 3 393.827 3.706 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(COC)CC1 ZINC001342380088 1053138156 /nfs/dbraw/zinc/13/81/56/1053138156.db2.gz IRPUYYVNEFYJCX-UHFFFAOYSA-N -1 3 399.520 3.699 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001343288743 1053679072 /nfs/dbraw/zinc/67/90/72/1053679072.db2.gz PGCGOQQNTKXWKF-KXBFYZLASA-N -1 3 388.475 3.764 20 30 GHEDHM N#Cc1csc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)c1 ZINC001318936205 1054956053 /nfs/dbraw/zinc/95/60/53/1054956053.db2.gz SUCMRYBZZKIRJT-UHFFFAOYSA-N -1 3 382.470 3.506 20 30 GHEDHM C=CCCc1ccccc1NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001321385562 1056241646 /nfs/dbraw/zinc/24/16/46/1056241646.db2.gz UBHMUVRMKVCHEC-UHFFFAOYSA-N -1 3 391.468 3.638 20 30 GHEDHM C=CCC[C@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001324211561 1057089904 /nfs/dbraw/zinc/08/99/04/1057089904.db2.gz ZSXDSBZYCTUEEI-INIZCTEOSA-N -1 3 390.480 3.563 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2C)c1[O-] ZINC001338686870 1058731078 /nfs/dbraw/zinc/73/10/78/1058731078.db2.gz IKOQKJCOKAEBFC-SFHVURJKSA-N -1 3 382.508 3.559 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC001339067452 1058946364 /nfs/dbraw/zinc/94/63/64/1058946364.db2.gz BKXDJIPKUKLQCJ-MAUKXSAKSA-N -1 3 390.491 3.565 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001445201075 1059478203 /nfs/dbraw/zinc/47/82/03/1059478203.db2.gz SIEOYSQAUAMCEJ-UHFFFAOYSA-N -1 3 383.879 3.563 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(C)(C)C[C@H]1c1ccccc1 ZINC001340717125 1060073417 /nfs/dbraw/zinc/07/34/17/1060073417.db2.gz YCOVJSOEMFYCIO-SFHVURJKSA-N -1 3 390.491 3.913 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1 ZINC001341817208 1060907360 /nfs/dbraw/zinc/90/73/60/1060907360.db2.gz BWJPTCPTGQHUOI-NSHDSACASA-N -1 3 378.215 3.667 20 30 GHEDHM O=C([N-]C[C@@H](O)C(F)(F)C(F)(F)F)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001455196825 1062042214 /nfs/dbraw/zinc/04/22/14/1062042214.db2.gz MPDFCAPJDXPTCZ-NAZIUFLLSA-N -1 3 395.221 3.691 20 30 GHEDHM O=C([N-]C[C@H](O)C(F)(F)C(F)(F)F)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001455196820 1062043534 /nfs/dbraw/zinc/04/35/34/1062043534.db2.gz MPDFCAPJDXPTCZ-BSKOKIOFSA-N -1 3 395.221 3.691 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC(CC)(CC)CC2)ccc1F ZINC001435899112 1062988134 /nfs/dbraw/zinc/98/81/34/1062988134.db2.gz FIPHONGLFKUEQE-UHFFFAOYSA-N -1 3 396.528 3.723 20 30 GHEDHM O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000849170141 1067751750 /nfs/dbraw/zinc/75/17/50/1067751750.db2.gz LLXPTIGJBCIXIQ-WSDLNYQXSA-N -1 3 388.855 3.680 20 30 GHEDHM N#Cc1ccc(Cn2cc(NC(=O)CCCc3ccc([O-])c(F)c3)cn2)cc1 ZINC001471309110 1073010089 /nfs/dbraw/zinc/01/00/89/1073010089.db2.gz WIXSLYXTQRHYAW-UHFFFAOYSA-N -1 3 378.407 3.609 20 30 GHEDHM C=CCCC(C)(C)CNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001479092476 1079100053 /nfs/dbraw/zinc/10/00/53/1079100053.db2.gz HATMQLUIAINCFO-HNNXBMFYSA-N -1 3 397.441 3.798 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](Cc1ccccc1)C(C)C ZINC000735419039 598830316 /nfs/dbraw/zinc/83/03/16/598830316.db2.gz PDZUXTIRAWNFEM-OAQYLSRUSA-N -1 3 389.503 3.896 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](Cc1ccccc1)C(C)C ZINC000735419039 598830319 /nfs/dbraw/zinc/83/03/19/598830319.db2.gz PDZUXTIRAWNFEM-OAQYLSRUSA-N -1 3 389.503 3.896 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1-c1nnn[n-]1 ZINC000737718743 598917953 /nfs/dbraw/zinc/91/79/53/598917953.db2.gz MRFRJKYMBPEZMW-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1-c1nn[n-]n1 ZINC000737718743 598917954 /nfs/dbraw/zinc/91/79/54/598917954.db2.gz MRFRJKYMBPEZMW-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736193423 598919698 /nfs/dbraw/zinc/91/96/98/598919698.db2.gz QXJHHSIQAHPRDB-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736193423 598919700 /nfs/dbraw/zinc/91/97/00/598919700.db2.gz QXJHHSIQAHPRDB-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000737721590 598980490 /nfs/dbraw/zinc/98/04/90/598980490.db2.gz MJCJSSFWJKXYPK-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3-c3nn[n-]n3)c2)cc1 ZINC000737721590 598980491 /nfs/dbraw/zinc/98/04/91/598980491.db2.gz MJCJSSFWJKXYPK-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM Cc1ccc(-c2n[nH]cc2C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000822214209 599113793 /nfs/dbraw/zinc/11/37/93/599113793.db2.gz ULYYVKNLSHHGFN-WJDWOHSUSA-N -1 3 382.427 3.778 20 30 GHEDHM Cc1ccc(-c2n[nH]cc2C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000822214209 599113795 /nfs/dbraw/zinc/11/37/95/599113795.db2.gz ULYYVKNLSHHGFN-WJDWOHSUSA-N -1 3 382.427 3.778 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000735418099 599147091 /nfs/dbraw/zinc/14/70/91/599147091.db2.gz AFJJYISDXMVXQP-KRWDZBQOSA-N -1 3 390.491 3.942 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000735418099 599147094 /nfs/dbraw/zinc/14/70/94/599147094.db2.gz AFJJYISDXMVXQP-KRWDZBQOSA-N -1 3 390.491 3.942 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1ccccc1C ZINC000735418664 599159270 /nfs/dbraw/zinc/15/92/70/599159270.db2.gz HYNYNBWSKLGORM-QGZVFWFLSA-N -1 3 375.476 3.884 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1ccccc1C ZINC000735418664 599159271 /nfs/dbraw/zinc/15/92/71/599159271.db2.gz HYNYNBWSKLGORM-QGZVFWFLSA-N -1 3 375.476 3.884 20 30 GHEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735964108 599199037 /nfs/dbraw/zinc/19/90/37/599199037.db2.gz VKGDJJHBCAODKR-LBPRGKRZSA-N -1 3 396.838 3.687 20 30 GHEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735964108 599199039 /nfs/dbraw/zinc/19/90/39/599199039.db2.gz VKGDJJHBCAODKR-LBPRGKRZSA-N -1 3 396.838 3.687 20 30 GHEDHM Cn1c2ccccc2c2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)sc21 ZINC000737594108 599200373 /nfs/dbraw/zinc/20/03/73/599200373.db2.gz WHKNAMOWBZFUCP-UHFFFAOYSA-N -1 3 399.439 3.697 20 30 GHEDHM Oc1cccc(C=Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)c1O ZINC000823733543 599232325 /nfs/dbraw/zinc/23/23/25/599232325.db2.gz YLJMECZELLHMOO-UHFFFAOYSA-N -1 3 391.362 3.960 20 30 GHEDHM Oc1cccc(C=Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)c1O ZINC000823733543 599232327 /nfs/dbraw/zinc/23/23/27/599232327.db2.gz YLJMECZELLHMOO-UHFFFAOYSA-N -1 3 391.362 3.960 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc2c1=O ZINC000735443071 599286984 /nfs/dbraw/zinc/28/69/84/599286984.db2.gz OORPJJVSMIOIRR-ZDUSSCGKSA-N -1 3 390.472 3.616 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc2c1=O ZINC000735443071 599286985 /nfs/dbraw/zinc/28/69/85/599286985.db2.gz OORPJJVSMIOIRR-ZDUSSCGKSA-N -1 3 390.472 3.616 20 30 GHEDHM CCCCCCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736448586 598236062 /nfs/dbraw/zinc/23/60/62/598236062.db2.gz NNGHACHBCNQKGW-UHFFFAOYSA-N -1 3 385.512 3.987 20 30 GHEDHM CCCCCCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736448586 598236064 /nfs/dbraw/zinc/23/60/64/598236064.db2.gz NNGHACHBCNQKGW-UHFFFAOYSA-N -1 3 385.512 3.987 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1ccccc1F ZINC000735418107 598364452 /nfs/dbraw/zinc/36/44/52/598364452.db2.gz ALFGSDDRTAMMTO-OAHLLOKOSA-N -1 3 379.439 3.714 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1ccccc1F ZINC000735418107 598364454 /nfs/dbraw/zinc/36/44/54/598364454.db2.gz ALFGSDDRTAMMTO-OAHLLOKOSA-N -1 3 379.439 3.714 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000737712772 598544258 /nfs/dbraw/zinc/54/42/58/598544258.db2.gz UANQRVIMKJCXRV-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000737712772 598544259 /nfs/dbraw/zinc/54/42/59/598544259.db2.gz UANQRVIMKJCXRV-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2cccc(Cl)c2)c1C ZINC000735451317 598584531 /nfs/dbraw/zinc/58/45/31/598584531.db2.gz XKXVTQHRBOTQOB-UHFFFAOYSA-N -1 3 392.854 3.850 20 30 GHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2cccc(Cl)c2)c1C ZINC000735451317 598584533 /nfs/dbraw/zinc/58/45/33/598584533.db2.gz XKXVTQHRBOTQOB-UHFFFAOYSA-N -1 3 392.854 3.850 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737719455 598647762 /nfs/dbraw/zinc/64/77/62/598647762.db2.gz QOSGSPHWWHABJC-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737719455 598647764 /nfs/dbraw/zinc/64/77/64/598647764.db2.gz QOSGSPHWWHABJC-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM CC(C)C[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735758340 598667903 /nfs/dbraw/zinc/66/79/03/598667903.db2.gz ZRBXUZUEOVWBRG-OAQYLSRUSA-N -1 3 390.447 3.717 20 30 GHEDHM CC(C)C[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735758340 598667905 /nfs/dbraw/zinc/66/79/05/598667905.db2.gz ZRBXUZUEOVWBRG-OAQYLSRUSA-N -1 3 390.447 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(SC(F)F)cc1 ZINC000737805029 599463608 /nfs/dbraw/zinc/46/36/08/599463608.db2.gz FVWOJUDSVJTXAG-QPJJXVBHSA-N -1 3 398.398 3.725 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(SC(F)F)cc1 ZINC000737805029 599463611 /nfs/dbraw/zinc/46/36/11/599463611.db2.gz FVWOJUDSVJTXAG-QPJJXVBHSA-N -1 3 398.398 3.725 20 30 GHEDHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820397502 599531385 /nfs/dbraw/zinc/53/13/85/599531385.db2.gz PJILOLVNPKDKDS-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820397502 599531386 /nfs/dbraw/zinc/53/13/86/599531386.db2.gz PJILOLVNPKDKDS-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833063248 601237119 /nfs/dbraw/zinc/23/71/19/601237119.db2.gz HNQJAZPODBUVMS-FOGDFJRCSA-N -1 3 383.231 3.532 20 30 GHEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000826045009 601868988 /nfs/dbraw/zinc/86/89/88/601868988.db2.gz OLQHYSNBSVCDGZ-MGPUTAFESA-N -1 3 399.878 3.638 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1sccc1C ZINC000823909529 607674163 /nfs/dbraw/zinc/67/41/63/607674163.db2.gz HWTUAMFEGDJARF-UHFFFAOYSA-N -1 3 381.505 3.774 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1sccc1C ZINC000823909529 607674165 /nfs/dbraw/zinc/67/41/65/607674165.db2.gz HWTUAMFEGDJARF-UHFFFAOYSA-N -1 3 381.505 3.774 20 30 GHEDHM N#CC(C(=O)CC[C@@H]1CCCN1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833962017 605491919 /nfs/dbraw/zinc/49/19/19/605491919.db2.gz WSOSBVNOIRXPLC-NWDGAFQWSA-N -1 3 376.363 3.530 20 30 GHEDHM N#CC(C(=O)CC[C@@H]1CCCN1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833962018 605492486 /nfs/dbraw/zinc/49/24/86/605492486.db2.gz WSOSBVNOIRXPLC-RYUDHWBXSA-N -1 3 376.363 3.530 20 30 GHEDHM Cn1cc(CN[C@H]2CCc3cc(NC(=O)[O-])ccc32)c(-c2ccc(C#N)cc2)n1 ZINC000833946512 605984110 /nfs/dbraw/zinc/98/41/10/605984110.db2.gz KPVXAZWKMAAZQO-FQEVSTJZSA-N -1 3 387.443 3.826 20 30 GHEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822801409 606420767 /nfs/dbraw/zinc/42/07/67/606420767.db2.gz IZCVRRPVVUWWJQ-LSDHHAIUSA-N -1 3 399.380 3.557 20 30 GHEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000822801409 606420768 /nfs/dbraw/zinc/42/07/68/606420768.db2.gz IZCVRRPVVUWWJQ-LSDHHAIUSA-N -1 3 399.380 3.557 20 30 GHEDHM C=CCN(CC=C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819739916 606773292 /nfs/dbraw/zinc/77/32/92/606773292.db2.gz KUALBBMLHOLMIA-UHFFFAOYSA-N -1 3 375.432 3.782 20 30 GHEDHM C=CCN(CC=C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819739916 606773294 /nfs/dbraw/zinc/77/32/94/606773294.db2.gz KUALBBMLHOLMIA-UHFFFAOYSA-N -1 3 375.432 3.782 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(Br)ccc1F ZINC000822922776 606836939 /nfs/dbraw/zinc/83/69/39/606836939.db2.gz JPDZZJWJVIGOTB-GORDUTHDSA-N -1 3 379.214 3.726 20 30 GHEDHM C#CC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837303 607961350 /nfs/dbraw/zinc/96/13/50/607961350.db2.gz ASKXKUQBUCHIAX-GOSISDBHSA-N -1 3 390.447 3.540 20 30 GHEDHM C#CC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837303 607961351 /nfs/dbraw/zinc/96/13/51/607961351.db2.gz ASKXKUQBUCHIAX-GOSISDBHSA-N -1 3 390.447 3.540 20 30 GHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475657 608878010 /nfs/dbraw/zinc/87/80/10/608878010.db2.gz MNEMWDWIKYBLIB-XFFZJAGNSA-N -1 3 377.354 3.839 20 30 GHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475657 608878012 /nfs/dbraw/zinc/87/80/12/608878012.db2.gz MNEMWDWIKYBLIB-XFFZJAGNSA-N -1 3 377.354 3.839 20 30 GHEDHM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399633 609272328 /nfs/dbraw/zinc/27/23/28/609272328.db2.gz AXDZAYPCNFXHKX-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399633 609272329 /nfs/dbraw/zinc/27/23/29/609272329.db2.gz AXDZAYPCNFXHKX-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823878422 609451824 /nfs/dbraw/zinc/45/18/24/609451824.db2.gz YJMCPUIKLIKEHE-NSHDSACASA-N -1 3 399.442 3.791 20 30 GHEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823878422 609451826 /nfs/dbraw/zinc/45/18/26/609451826.db2.gz YJMCPUIKLIKEHE-NSHDSACASA-N -1 3 399.442 3.791 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000180626276 837413132 /nfs/dbraw/zinc/41/31/32/837413132.db2.gz UNOWEMCIVNDHKS-NRFANRHFSA-N -1 3 377.488 3.844 20 30 GHEDHM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000329446846 835056950 /nfs/dbraw/zinc/05/69/50/835056950.db2.gz CQLXTKYAALFRIQ-MRXNPFEDSA-N -1 3 395.503 3.591 20 30 GHEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431627343 835772568 /nfs/dbraw/zinc/77/25/68/835772568.db2.gz FOLGDHJCOGIHCL-AWEZNQCLSA-N -1 3 390.333 3.862 20 30 GHEDHM CN(C(=O)Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1)c1ccccc1 ZINC000255829671 835867920 /nfs/dbraw/zinc/86/79/20/835867920.db2.gz AUJQKAYGUMYDQL-UHFFFAOYSA-N -1 3 376.412 3.760 20 30 GHEDHM CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728230191 836521077 /nfs/dbraw/zinc/52/10/77/836521077.db2.gz BDANHFYEVIILNS-ZRDIBKRKSA-N -1 3 376.412 3.959 20 30 GHEDHM CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000122189841 837981346 /nfs/dbraw/zinc/98/13/46/837981346.db2.gz LRSBAABLHJOBBM-LLVKDONJSA-N -1 3 396.827 3.739 20 30 GHEDHM Cn1cc([C@H]([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)C(F)(F)F)cn1 ZINC000683669983 838239486 /nfs/dbraw/zinc/23/94/86/838239486.db2.gz YOMUQIGYVIALFW-NSHDSACASA-N -1 3 387.230 3.751 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC(c2ccccc2)CC1 ZINC000045417654 838830421 /nfs/dbraw/zinc/83/04/21/838830421.db2.gz XMVTZANFUXJECX-UHFFFAOYSA-N -1 3 377.488 3.639 20 30 GHEDHM N#CC1(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCCC1 ZINC000183006481 838884482 /nfs/dbraw/zinc/88/44/82/838884482.db2.gz ZDKGFKOPRPHWJC-FQEVSTJZSA-N -1 3 391.471 3.596 20 30 GHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Br)cc(C)c1OC(F)F ZINC000417634943 841073100 /nfs/dbraw/zinc/07/31/00/841073100.db2.gz ZLPGVWJIJUJOJI-LBPRGKRZSA-N -1 3 378.213 3.868 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000125209474 841353877 /nfs/dbraw/zinc/35/38/77/841353877.db2.gz JSWGWXGYYSPCHD-GFCCVEGCSA-N -1 3 384.189 3.551 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cccc2c[nH]nc21 ZINC000126603457 841707176 /nfs/dbraw/zinc/70/71/76/841707176.db2.gz UHQIOMVIAHHBGM-AWEZNQCLSA-N -1 3 386.383 3.839 20 30 GHEDHM CSc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000175911954 841771343 /nfs/dbraw/zinc/77/13/43/841771343.db2.gz BLDKQVGYLNESOU-UHFFFAOYSA-N -1 3 375.881 3.810 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc(-c2ccccc2)cs1 ZINC000157345592 841871348 /nfs/dbraw/zinc/87/13/48/841871348.db2.gz LXXPUYUEWRLYCR-GFCCVEGCSA-N -1 3 387.461 3.860 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc(-c2ccccc2)cs1 ZINC000157345434 841871409 /nfs/dbraw/zinc/87/14/09/841871409.db2.gz LXXPUYUEWRLYCR-LBPRGKRZSA-N -1 3 387.461 3.860 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(OCc4ccccc4)cn3)nc21 ZINC000429113161 861364581 /nfs/dbraw/zinc/36/45/81/861364581.db2.gz JUDCHESHNYYAKD-MRXNPFEDSA-N -1 3 383.411 3.730 20 30 GHEDHM COc1cccc(CN(CC(C)C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000603530326 843489477 /nfs/dbraw/zinc/48/94/77/843489477.db2.gz VOYHABRTWJZORT-UHFFFAOYSA-N -1 3 395.503 3.902 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000513557458 845662246 /nfs/dbraw/zinc/66/22/46/845662246.db2.gz VLKZVWQUZCAUQO-UHFFFAOYSA-N -1 3 390.487 3.765 20 30 GHEDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2sc(C)c(C)c2C#N)cc1OC ZINC000028242168 851289518 /nfs/dbraw/zinc/28/95/18/851289518.db2.gz XWWFUTOQNZGEAO-UHFFFAOYSA-N -1 3 375.406 3.804 20 30 GHEDHM COC(=O)COc1c(C)cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1C ZINC000437386518 853084546 /nfs/dbraw/zinc/08/45/46/853084546.db2.gz PDKQMIDDUGXSFO-OAHLLOKOSA-N -1 3 394.452 3.955 20 30 GHEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112636096 854280266 /nfs/dbraw/zinc/28/02/66/854280266.db2.gz KOBLUJABPVSSBW-UHFFFAOYSA-N -1 3 390.281 3.693 20 30 GHEDHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000330497110 854680154 /nfs/dbraw/zinc/68/01/54/854680154.db2.gz XTRGQUZLUILGAF-ABAIWWIYSA-N -1 3 398.301 3.518 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000110100646 856446174 /nfs/dbraw/zinc/44/61/74/856446174.db2.gz VDLGUGOQFXIGIF-UHFFFAOYSA-N -1 3 399.450 3.666 20 30 GHEDHM CCCCc1nc(NC(=O)CSc2ccc(C#N)cc2)c(C(=O)OCC)[n-]1 ZINC000485675113 856915392 /nfs/dbraw/zinc/91/53/92/856915392.db2.gz SIXBILOKKXIHIM-UHFFFAOYSA-N -1 3 386.477 3.531 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000172744270 857058355 /nfs/dbraw/zinc/05/83/55/857058355.db2.gz RCSCFUJBICIENS-LIVBEALHSA-N -1 3 377.488 3.589 20 30 GHEDHM COc1ccc(CN=Nc2cc(C#N)cc(Cl)n2)c(Br)c1[O-] ZINC000761010695 857239221 /nfs/dbraw/zinc/23/92/21/857239221.db2.gz BVMMYOPNPBAAAK-UHFFFAOYSA-N -1 3 381.617 3.529 20 30 GHEDHM COc1ccc(CN=Nc2oc(C(C)(C)C)nc2C#N)c(Br)c1[O-] ZINC000761010916 857261858 /nfs/dbraw/zinc/26/18/58/857261858.db2.gz FHKXBUSYBHWSJM-UHFFFAOYSA-N -1 3 393.241 3.766 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=Cc1nc2ccccc2s1 ZINC000129840088 858351154 /nfs/dbraw/zinc/35/11/54/858351154.db2.gz ZRYWFEYDJSSOCG-NHAQELONSA-N -1 3 377.425 3.666 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593219815 859047212 /nfs/dbraw/zinc/04/72/12/859047212.db2.gz ZJBXHNQNDFRXCU-QFIPXVFZSA-N -1 3 381.451 3.538 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000118704236 859905420 /nfs/dbraw/zinc/90/54/20/859905420.db2.gz FWFSJJVCLJAYBG-UHFFFAOYSA-N -1 3 381.480 3.596 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2n1C(C)C ZINC000598233549 860158327 /nfs/dbraw/zinc/15/83/27/860158327.db2.gz PHEVSXNITULRGI-UHFFFAOYSA-N -1 3 377.448 3.778 20 30 GHEDHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1 ZINC000593565943 860388432 /nfs/dbraw/zinc/38/84/32/860388432.db2.gz DBTSEJXCCALLIX-UHFFFAOYSA-N -1 3 397.319 3.658 20 30 GHEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603045559 860455515 /nfs/dbraw/zinc/45/55/15/860455515.db2.gz VLXKNCQTOLJBCZ-AWEZNQCLSA-N -1 3 397.788 3.591 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnc(-c2ccccc2)s1 ZINC000060986658 860501155 /nfs/dbraw/zinc/50/11/55/860501155.db2.gz CNHCTUSJKQNBEE-UHFFFAOYSA-N -1 3 393.468 3.663 20 30 GHEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)nn2c1 ZINC000598802329 860583237 /nfs/dbraw/zinc/58/32/37/860583237.db2.gz VMOSIPCBBKCZLH-LBPRGKRZSA-N -1 3 394.504 3.769 20 30 GHEDHM CC[C@@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000453787564 881631380 /nfs/dbraw/zinc/63/13/80/881631380.db2.gz NLTCGOGSCXBIMP-SECBINFHSA-N -1 3 392.246 3.823 20 30 GHEDHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(F)F ZINC000453816768 881698719 /nfs/dbraw/zinc/69/87/19/881698719.db2.gz QTABAPSXOFVVLK-ZCFIWIBFSA-N -1 3 392.246 3.823 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1F ZINC000071862601 864028588 /nfs/dbraw/zinc/02/85/88/864028588.db2.gz SIOZRLHGWMWTLM-UHFFFAOYSA-N -1 3 390.480 3.974 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccc(OC)cc1 ZINC000132855125 881757476 /nfs/dbraw/zinc/75/74/76/881757476.db2.gz JGIAJXYSIYSLII-ZDUSSCGKSA-N -1 3 383.477 3.797 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(Cl)c1 ZINC000494440528 881762698 /nfs/dbraw/zinc/76/26/98/881762698.db2.gz QDJNAYLRZHDALX-UHFFFAOYSA-N -1 3 376.743 3.911 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000173952539 865248268 /nfs/dbraw/zinc/24/82/68/865248268.db2.gz HIAKHUFAPLQCED-ZDUSSCGKSA-N -1 3 397.740 3.637 20 30 GHEDHM COC(=O)Nc1ccc(CCN=Cc2cc(Br)ccc2[O-])cc1 ZINC000737440441 865390107 /nfs/dbraw/zinc/39/01/07/865390107.db2.gz JGYHZTBXVCKDED-ODLFYWEKSA-N -1 3 377.238 3.995 20 30 GHEDHM Fc1cccc(F)c1N=NCc1c(Br)n[n-]c1Br ZINC000793015304 881876977 /nfs/dbraw/zinc/87/69/77/881876977.db2.gz HUWKKRDRKKVLOG-UHFFFAOYSA-N -1 3 379.990 3.659 20 30 GHEDHM N#Cc1ccccc1OCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000608912994 865812257 /nfs/dbraw/zinc/81/22/57/865812257.db2.gz HPIMNLWEKBOHCW-UHFFFAOYSA-N -1 3 387.226 3.695 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)cc1 ZINC000793124381 881932644 /nfs/dbraw/zinc/93/26/44/881932644.db2.gz LJMMNHOQOSXWOD-GOSISDBHSA-N -1 3 392.459 3.569 20 30 GHEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000665820469 866453475 /nfs/dbraw/zinc/45/34/75/866453475.db2.gz JZWDPJAHYCGGKB-UHFFFAOYSA-N -1 3 392.463 3.786 20 30 GHEDHM C=CC[C@@H]1N(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)CCCC1(C)C ZINC000444777142 867220376 /nfs/dbraw/zinc/22/03/76/867220376.db2.gz DSVDMEJDAILXBY-ZDUSSCGKSA-N -1 3 389.521 3.646 20 30 GHEDHM O=C1C[C@H](/N=C\c2cc(Br)ccc2[O-])CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000743045198 867779678 /nfs/dbraw/zinc/77/96/78/867779678.db2.gz ZFBSMVSWFUYYBC-CPKGQHRLSA-N -1 3 399.288 3.731 20 30 GHEDHM Cc1nc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)sc1SCC#N ZINC000155606318 867974870 /nfs/dbraw/zinc/97/48/70/867974870.db2.gz SBVNGZLBBOAMLZ-UHFFFAOYSA-N -1 3 388.449 3.609 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)s1 ZINC000462443782 869439251 /nfs/dbraw/zinc/43/92/51/869439251.db2.gz ZSWBMCHPDISLAV-SNVBAGLBSA-N -1 3 385.308 3.730 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)N[C@@H](C)c2cccc(OC)c2)c(C)c1[O-] ZINC001192886904 870744983 /nfs/dbraw/zinc/74/49/83/870744983.db2.gz QZEKOACSWIDGRW-ZDUSSCGKSA-N -1 3 397.431 3.640 20 30 GHEDHM CCCCCCC[C@H](C)NC(=O)Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001192919939 870773651 /nfs/dbraw/zinc/77/36/51/870773651.db2.gz KOHAFKBPOWFJKQ-HNNXBMFYSA-N -1 3 396.532 3.994 20 30 GHEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC001193150884 870920363 /nfs/dbraw/zinc/92/03/63/870920363.db2.gz KNEYJZLENWQEKG-JTQLQIEISA-N -1 3 377.263 3.674 20 30 GHEDHM N#Cc1ncc(NC(=O)c2ccc([O-])cc2C(F)(F)F)cc1C(F)(F)F ZINC001193735270 871254899 /nfs/dbraw/zinc/25/48/99/871254899.db2.gz MMOMEQDIHUHJNB-UHFFFAOYSA-N -1 3 375.228 3.949 20 30 GHEDHM N#Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc([O-])cc3C(F)(F)F)C2)cc1 ZINC001193746660 871288868 /nfs/dbraw/zinc/28/88/68/871288868.db2.gz WSKCSADFRDMAID-INIZCTEOSA-N -1 3 390.361 3.966 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)cc(=O)[n-]1 ZINC000618668196 871816445 /nfs/dbraw/zinc/81/64/45/871816445.db2.gz SBLRHQYUZQSBEE-IBGZPJMESA-N -1 3 385.427 3.838 20 30 GHEDHM C=CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccncc1 ZINC000767018147 872175615 /nfs/dbraw/zinc/17/56/15/872175615.db2.gz GOARZBPIFZJTRA-HNNXBMFYSA-N -1 3 376.254 3.666 20 30 GHEDHM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000767233882 872340843 /nfs/dbraw/zinc/34/08/43/872340843.db2.gz WDAHOSJDSYBPFH-UHFFFAOYSA-N -1 3 391.240 3.639 20 30 GHEDHM C=CCc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc(OC)c1OC ZINC000463698959 872361548 /nfs/dbraw/zinc/36/15/48/872361548.db2.gz OZZGQPFCUICERP-UHFFFAOYSA-N -1 3 399.871 3.703 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000619461518 872655777 /nfs/dbraw/zinc/65/57/77/872655777.db2.gz ORSGEENWXOBXAG-UHFFFAOYSA-N -1 3 388.452 3.892 20 30 GHEDHM C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000122704443 882670285 /nfs/dbraw/zinc/67/02/85/882670285.db2.gz MHLPUCLCNUOLIJ-AWEZNQCLSA-N -1 3 383.477 3.700 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnccc1OCC1CCOCC1 ZINC001198848338 874653130 /nfs/dbraw/zinc/65/31/30/874653130.db2.gz MJJYFYMPIFTTCB-UHFFFAOYSA-N -1 3 377.400 3.757 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000775931697 874790616 /nfs/dbraw/zinc/79/06/16/874790616.db2.gz ABYKMZLWPXLGBD-GFCCVEGCSA-N -1 3 390.798 3.677 20 30 GHEDHM CCOc1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000550960989 882920878 /nfs/dbraw/zinc/92/08/78/882920878.db2.gz UXAFKDINYVESOA-LJQANCHMSA-N -1 3 385.895 3.827 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)c(F)c1F ZINC001201619516 875793911 /nfs/dbraw/zinc/79/39/11/875793911.db2.gz OMXMAXUZJOVWIM-UHFFFAOYSA-N -1 3 387.367 3.825 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000776280560 876170236 /nfs/dbraw/zinc/17/02/36/876170236.db2.gz UIFDCSYTNWLJNA-GFCCVEGCSA-N -1 3 393.424 3.571 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786034926 876421375 /nfs/dbraw/zinc/42/13/75/876421375.db2.gz YDBXQEZFSBCTSM-GFCCVEGCSA-N -1 3 383.429 3.808 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000443972819 877217438 /nfs/dbraw/zinc/21/74/38/877217438.db2.gz YQFNTIVXDGDKCS-AWEZNQCLSA-N -1 3 392.761 3.933 20 30 GHEDHM C#CCSc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000788416891 878069969 /nfs/dbraw/zinc/06/99/69/878069969.db2.gz GNXRVTFPZXJMCZ-UHFFFAOYSA-N -1 3 380.469 3.677 20 30 GHEDHM COc1ccc2c(c1)C(C)(C)CC2N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000788715743 878273186 /nfs/dbraw/zinc/27/31/86/878273186.db2.gz REMNCABGBFYJIT-UHFFFAOYSA-N -1 3 394.479 3.793 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c(C(F)(F)F)c1 ZINC000451638761 878280592 /nfs/dbraw/zinc/28/05/92/878280592.db2.gz FRRBFHCIWJHVNK-LLVKDONJSA-N -1 3 382.354 3.681 20 30 GHEDHM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc2)n1 ZINC000182853321 880029810 /nfs/dbraw/zinc/02/98/10/880029810.db2.gz AXTANQNGBAJVIZ-CQSZACIVSA-N -1 3 392.369 3.717 20 30 GHEDHM C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000116863566 883950046 /nfs/dbraw/zinc/95/00/46/883950046.db2.gz YSFRCHQWWNUSCF-LLVKDONJSA-N -1 3 393.336 3.622 20 30 GHEDHM C=CCCC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000476333998 884428160 /nfs/dbraw/zinc/42/81/60/884428160.db2.gz HYWSQTLOWUOKMQ-UHFFFAOYSA-N -1 3 376.884 3.969 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000860469811 884708996 /nfs/dbraw/zinc/70/89/96/884708996.db2.gz KZAHRAFXJYNEMU-UZFJHSOTSA-N -1 3 396.487 3.581 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000130707287 885030017 /nfs/dbraw/zinc/03/00/17/885030017.db2.gz PALYMRCNDSYDII-NSHDSACASA-N -1 3 380.516 3.798 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@@H]1C(C)C ZINC000610790733 885228942 /nfs/dbraw/zinc/22/89/42/885228942.db2.gz FUTKAHXYSXDJSE-QFIPXVFZSA-N -1 3 377.488 3.990 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001130903829 885358341 /nfs/dbraw/zinc/35/83/41/885358341.db2.gz AGTAFKGNQCVQGR-RHSMWYFYSA-N -1 3 396.528 3.767 20 30 GHEDHM O=C(c1cncc(N2CCCC2=O)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235876 913093589 /nfs/dbraw/zinc/09/35/89/913093589.db2.gz OGIVYCZWBANYID-UHFFFAOYSA-N -1 3 380.231 3.547 20 30 GHEDHM COc1cc(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)c(OC)cc1[O-] ZINC000763104289 887664704 /nfs/dbraw/zinc/66/47/04/887664704.db2.gz CHBBUHWEANKKSJ-YVMONPNESA-N -1 3 378.384 3.888 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000130427175 888138877 /nfs/dbraw/zinc/13/88/77/888138877.db2.gz ZGAQSBRSEYIFAJ-CQSZACIVSA-N -1 3 378.171 3.863 20 30 GHEDHM C=CCCc1ccccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810234363 888312119 /nfs/dbraw/zinc/31/21/19/888312119.db2.gz BFZIEADDOAEVJZ-AWEZNQCLSA-N -1 3 383.414 3.728 20 30 GHEDHM Fc1cccc2[nH]cc(C=Nn3c(=S)[n-]nc3[C@@H]3COc4ccccc4O3)c21 ZINC000763344917 888529589 /nfs/dbraw/zinc/52/95/89/888529589.db2.gz GVZTVQRRYLQLND-INIZCTEOSA-N -1 3 395.419 3.582 20 30 GHEDHM COc1cc(C=NNC(=S)Nc2ccc(F)cc2)cc(Br)c1[O-] ZINC000915924492 888558677 /nfs/dbraw/zinc/55/86/77/888558677.db2.gz MWRRUUQJYPEEDT-UHFFFAOYSA-N -1 3 398.257 3.623 20 30 GHEDHM CCCCC1N=NC(=S)N1N=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000916302093 888901865 /nfs/dbraw/zinc/90/18/65/888901865.db2.gz JRMDNIDJXXMQGR-UHFFFAOYSA-N -1 3 399.314 3.658 20 30 GHEDHM N#CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000124503058 889651002 /nfs/dbraw/zinc/65/10/02/889651002.db2.gz NQNNGWDNJQMJKG-CQSZACIVSA-N -1 3 379.825 3.572 20 30 GHEDHM CC(C)(C)C[C@H]([N-]C(=O)C(=O)Nc1cc(F)c(F)c(F)c1F)C(F)(F)F ZINC000873794131 891810509 /nfs/dbraw/zinc/81/05/09/891810509.db2.gz MVPNYCAIXCILSE-QMMMGPOBSA-N -1 3 388.283 3.665 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(NC(=O)c3cccc(F)c3)c2)c1[O-] ZINC000917558805 892167082 /nfs/dbraw/zinc/16/70/82/892167082.db2.gz ZAIIRNBQSWIYOS-WYMPLXKRSA-N -1 3 393.418 3.598 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000815800367 894218164 /nfs/dbraw/zinc/21/81/64/894218164.db2.gz UEKCTAZCQSBUMR-SECBINFHSA-N -1 3 386.196 3.888 20 30 GHEDHM CC(=O)c1cc(Cl)cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1[O-] ZINC000748051389 894605372 /nfs/dbraw/zinc/60/53/72/894605372.db2.gz TXJZKAMIQMQCDL-UHFFFAOYSA-N -1 3 397.906 3.828 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000816757265 895052344 /nfs/dbraw/zinc/05/23/44/895052344.db2.gz PEBUPEKLAITXAD-GOSISDBHSA-N -1 3 395.846 3.665 20 30 GHEDHM Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1[O-] ZINC000218329776 895399293 /nfs/dbraw/zinc/39/92/93/895399293.db2.gz QDIOKLJESKCFDO-UHFFFAOYSA-N -1 3 382.470 3.968 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)Cc1cccs1 ZINC000819743849 896968798 /nfs/dbraw/zinc/96/87/98/896968798.db2.gz RAPWRCKJJUXPTB-OAHLLOKOSA-N -1 3 396.520 3.505 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)Cc1cccs1 ZINC000819743849 896968809 /nfs/dbraw/zinc/96/88/09/896968809.db2.gz RAPWRCKJJUXPTB-OAHLLOKOSA-N -1 3 396.520 3.505 20 30 GHEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCN1c1c(F)cccc1F ZINC000132475948 897794183 /nfs/dbraw/zinc/79/41/83/897794183.db2.gz RFBDXFZWXBKOQL-SCDDIDHTSA-N -1 3 395.203 3.657 20 30 GHEDHM C=C(C)COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC ZINC000823878105 899301759 /nfs/dbraw/zinc/30/17/59/899301759.db2.gz OSQMOWJACQSPKS-XBXARRHUSA-N -1 3 394.406 3.865 20 30 GHEDHM C=C(C)COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC ZINC000823878105 899301775 /nfs/dbraw/zinc/30/17/75/899301775.db2.gz OSQMOWJACQSPKS-XBXARRHUSA-N -1 3 394.406 3.865 20 30 GHEDHM Cc1ccc([C@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000126923739 902391215 /nfs/dbraw/zinc/39/12/15/902391215.db2.gz FCHYVAGPJPYHTM-OAQYLSRUSA-N -1 3 377.488 3.858 20 30 GHEDHM CC1(C=CC(=O)C(C#N)=C([O-])c2sccc2Br)CCOCC1 ZINC000845843260 902409906 /nfs/dbraw/zinc/40/99/06/902409906.db2.gz BFYAWIWFOCJAHK-MORRKMRCSA-N -1 3 382.279 3.775 20 30 GHEDHM CC1(C=CC([O-])=C(C#N)C(=O)c2sccc2Br)CCOCC1 ZINC000845843260 902409912 /nfs/dbraw/zinc/40/99/12/902409912.db2.gz BFYAWIWFOCJAHK-MORRKMRCSA-N -1 3 382.279 3.775 20 30 GHEDHM CCCOc1ccc(OCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845835924 902449083 /nfs/dbraw/zinc/44/90/83/902449083.db2.gz GHSCBRQVIYXRLY-HXUWFJFHSA-N -1 3 377.440 3.864 20 30 GHEDHM CCCOc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1 ZINC000845835924 902449094 /nfs/dbraw/zinc/44/90/94/902449094.db2.gz GHSCBRQVIYXRLY-HXUWFJFHSA-N -1 3 377.440 3.864 20 30 GHEDHM Cc1cnn(Cc2cc(C(=O)[N-]c3ccccc3SC[C@H](C)C#N)no2)c1 ZINC000132634621 903287786 /nfs/dbraw/zinc/28/77/86/903287786.db2.gz BYLFMJZYXOBRBT-CYBMUJFWSA-N -1 3 381.461 3.732 20 30 GHEDHM CO[C@H](c1ccc(Br)cc1)[C@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000773149800 904489742 /nfs/dbraw/zinc/48/97/42/904489742.db2.gz MIQALFZEEFYPNB-QBBLCABPSA-N -1 3 393.281 3.546 20 30 GHEDHM CC(C)([N-]C(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC001175106284 907360793 /nfs/dbraw/zinc/36/07/93/907360793.db2.gz CXKAOGGGKHPBJM-XTOZHPGHSA-N -1 3 391.258 3.973 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000299449506 921336306 /nfs/dbraw/zinc/33/63/06/921336306.db2.gz SFOVJEPIVMCDBB-UHFFFAOYSA-N -1 3 385.895 3.956 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C(C)(C)C ZINC000193476555 908423564 /nfs/dbraw/zinc/42/35/64/908423564.db2.gz KRXZLDCYNWQZSN-LBPRGKRZSA-N -1 3 376.819 3.700 20 30 GHEDHM CC(C)(C)OC(=O)c1c([N-]C(=O)C#Cc2ccccn2)onc1-c1ccccc1 ZINC001177800778 908763340 /nfs/dbraw/zinc/76/33/40/908763340.db2.gz IQSYXYGVQYBXOJ-UHFFFAOYSA-N -1 3 389.411 3.682 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C2(C(F)(F)F)CCCC2)c(C)c1[O-] ZINC001180478049 910163281 /nfs/dbraw/zinc/16/32/81/910163281.db2.gz OICSXQSETVLMLH-UHFFFAOYSA-N -1 3 384.354 3.810 20 30 GHEDHM C[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001182520898 911849621 /nfs/dbraw/zinc/84/96/21/911849621.db2.gz VAPRMDWXYSKSOW-KKUMJFAQSA-N -1 3 387.480 3.874 20 30 GHEDHM Cc1ncn(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)c1C ZINC000291132256 914998344 /nfs/dbraw/zinc/99/83/44/914998344.db2.gz DZOCJLZOGLBYEO-UHFFFAOYSA-N -1 3 389.459 3.650 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1nc(Br)cnc1Cl ZINC001187993282 915670152 /nfs/dbraw/zinc/67/01/52/915670152.db2.gz RILCJFIMPAAJPL-UHFFFAOYSA-N -1 3 384.727 3.995 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1cnc2c(C3CCOCC3)cnn2c1 ZINC001188001543 915677377 /nfs/dbraw/zinc/67/73/77/915677377.db2.gz NMIYBDAQNJIYBI-UHFFFAOYSA-N -1 3 394.541 3.726 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(OC(C)(C)C)cn2)no1 ZINC000292959273 915922420 /nfs/dbraw/zinc/92/24/20/915922420.db2.gz HSNMWSBQJGXPQO-UHFFFAOYSA-N -1 3 393.447 3.683 20 30 GHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1ccc(CN2CCCCC2)o1 ZINC001189742117 916865393 /nfs/dbraw/zinc/86/53/93/916865393.db2.gz OFDBXDRWMCZTTA-UHFFFAOYSA-N -1 3 387.443 3.846 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001190669353 917457681 /nfs/dbraw/zinc/45/76/81/917457681.db2.gz OGKMFULHBINDNV-UHFFFAOYSA-N -1 3 384.354 3.684 20 30 GHEDHM CCN(Cc1cc(Br)ccc1[O-])Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191266990 917880787 /nfs/dbraw/zinc/88/07/87/917880787.db2.gz CAXOETRGWGMFTL-UHFFFAOYSA-N -1 3 390.237 3.957 20 30 GHEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001191363648 917965179 /nfs/dbraw/zinc/96/51/79/917965179.db2.gz VIQVJQKUNNEZOX-UHFFFAOYSA-N -1 3 386.820 3.702 20 30 GHEDHM CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1[N-]C(=O)c1ncon1 ZINC001192015058 918358771 /nfs/dbraw/zinc/35/87/71/918358771.db2.gz AUYUFIBFACBDAC-UHFFFAOYSA-N -1 3 386.415 3.965 20 30 GHEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901377903 921055099 /nfs/dbraw/zinc/05/50/99/921055099.db2.gz BUHCMERFOGKPLR-ZDUSSCGKSA-N -1 3 387.307 3.996 20 30 GHEDHM Cc1ccc(C(=O)NCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1C ZINC000901380137 921058393 /nfs/dbraw/zinc/05/83/93/921058393.db2.gz ZIGGJGWPFGHORP-UHFFFAOYSA-N -1 3 381.259 3.758 20 30 GHEDHM CON(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCCOc2ccccc21 ZINC000370611974 924204476 /nfs/dbraw/zinc/20/44/76/924204476.db2.gz GRIWGWLTOUBJGR-LJQANCHMSA-N -1 3 395.459 3.512 20 30 GHEDHM N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3[O-])n2)c1 ZINC000409965979 925181761 /nfs/dbraw/zinc/18/17/61/925181761.db2.gz KDJRPUFSWZCXLI-UHFFFAOYSA-N -1 3 388.305 3.600 20 30 GHEDHM N#CCSc1ccccc1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011809892 925636096 /nfs/dbraw/zinc/63/60/96/925636096.db2.gz JNZAIJDIIJGVFC-UHFFFAOYSA-N -1 3 384.244 3.733 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1 ZINC000726319524 926623994 /nfs/dbraw/zinc/62/39/94/926623994.db2.gz JRIXTQMFFURCFE-MRXNPFEDSA-N -1 3 395.415 3.689 20 30 GHEDHM CC(=NNc1ccc(OC(F)F)cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000726427151 926658132 /nfs/dbraw/zinc/65/81/32/926658132.db2.gz RKMKFJAZYLNEDI-UHFFFAOYSA-N -1 3 391.418 3.662 20 30 GHEDHM Cc1ccc(NC(=O)C2(C/N=C\c3c([O-])c(C)ncc3CO)CCCC2)cc1C ZINC000749846687 927311566 /nfs/dbraw/zinc/31/15/66/927311566.db2.gz ZOPFLRUYSRWCEK-MSXFZWOLSA-N -1 3 395.503 3.823 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000374818697 927559434 /nfs/dbraw/zinc/55/94/34/927559434.db2.gz LLTLTJVHHNYQDP-VYENPZKTSA-N -1 3 375.472 3.913 20 30 GHEDHM COC(=O)Nc1ccc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000750890867 927923932 /nfs/dbraw/zinc/92/39/32/927923932.db2.gz OMSNKRWFQJCDNM-UHFFFAOYSA-N -1 3 393.317 3.798 20 30 GHEDHM Cc1nn(-c2ccc(C([O-])=C(C#N)c3ccncn3)cc2)c(C)c1Br ZINC000546154473 929911796 /nfs/dbraw/zinc/91/17/96/929911796.db2.gz YLPPZZBHOAKASX-OAHLLOKOSA-N -1 3 396.248 3.532 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000546429080 930157124 /nfs/dbraw/zinc/15/71/24/930157124.db2.gz YKJZTJYCJTVPHT-LLVKDONJSA-N -1 3 384.386 3.874 20 30 GHEDHM COc1ccc(NN=C(C)c2ccc([O-])c(CN3CCOCC3)c2)cc1Cl ZINC000782233174 931131635 /nfs/dbraw/zinc/13/16/35/931131635.db2.gz ZORMTUGDHCATEU-UHFFFAOYSA-N -1 3 389.883 3.723 20 30 GHEDHM CCCCCCCS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000799769582 933112094 /nfs/dbraw/zinc/11/20/94/933112094.db2.gz VSGAVVHUFOIZTC-MRXNPFEDSA-N -1 3 380.514 3.719 20 30 GHEDHM COc1cccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)c1 ZINC001115822968 933212453 /nfs/dbraw/zinc/21/24/53/933212453.db2.gz CCOHPDYJDHBZQC-UHFFFAOYSA-N -1 3 381.457 3.582 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=NCC(F)(F)F)n1N=Cc1ccoc1 ZINC001115960922 933259504 /nfs/dbraw/zinc/25/95/04/933259504.db2.gz CLEMHPLTEKOUCY-UHFFFAOYSA-N -1 3 383.351 3.566 20 30 GHEDHM C#Cc1ccc(NC(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(Cl)c1 ZINC001573290174 946897350 /nfs/dbraw/zinc/89/73/50/946897350.db2.gz GGFHDTWZKKTSKD-KRWDZBQOSA-N -1 3 392.850 3.701 20 30 GHEDHM C#Cc1ccc(NC(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(Cl)c1 ZINC001573290174 946897362 /nfs/dbraw/zinc/89/73/62/946897362.db2.gz GGFHDTWZKKTSKD-KRWDZBQOSA-N -1 3 392.850 3.701 20 30 GHEDHM C=C(CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2)c1ccccc1 ZINC001573294540 946992672 /nfs/dbraw/zinc/99/26/72/946992672.db2.gz HDLNGGKSDPWAPC-UHFFFAOYSA-N -1 3 385.475 3.918 20 30 GHEDHM C=C(CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2)c1ccccc1 ZINC001573294540 946992677 /nfs/dbraw/zinc/99/26/77/946992677.db2.gz HDLNGGKSDPWAPC-UHFFFAOYSA-N -1 3 385.475 3.918 20 30 GHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001573330113 947430172 /nfs/dbraw/zinc/43/01/72/947430172.db2.gz UPWYYDMRLXCMFY-APWZRJJASA-N -1 3 383.496 3.667 20 30 GHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001573330113 947430179 /nfs/dbraw/zinc/43/01/79/947430179.db2.gz UPWYYDMRLXCMFY-APWZRJJASA-N -1 3 383.496 3.667 20 30 GHEDHM C=CCN(CC=C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1[C@@H]1C[C@H]1CCC ZINC001573340913 947520387 /nfs/dbraw/zinc/52/03/87/947520387.db2.gz CIXLDTZSIOISBO-QZTJIDSGSA-N -1 3 390.495 3.665 20 30 GHEDHM C=CCN(CC=C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1[C@@H]1C[C@H]1CCC ZINC001573340913 947520401 /nfs/dbraw/zinc/52/04/01/947520401.db2.gz CIXLDTZSIOISBO-QZTJIDSGSA-N -1 3 390.495 3.665 20 30 GHEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC001154441183 1032104988 /nfs/dbraw/zinc/10/49/88/1032104988.db2.gz SEIRMICFNQVUQW-UHFFFAOYSA-N -1 3 391.240 3.867 20 30 GHEDHM C=C[C@@H](NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(=O)[O-] ZINC001588701612 983915127 /nfs/dbraw/zinc/91/51/27/983915127.db2.gz UEUMGTJCDYWRJV-CQSZACIVSA-N -1 3 380.759 3.908 20 30 GHEDHM C[C@H](C#N)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001589335759 986214584 /nfs/dbraw/zinc/21/45/84/986214584.db2.gz TZSYFRTYVKWESU-PXAZEXFGSA-N -1 3 378.350 3.912 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2cccc(Cl)c2F)no1 ZINC000545706610 1016272260 /nfs/dbraw/zinc/27/22/60/1016272260.db2.gz XTOJFPHRIBZAEY-UHFFFAOYSA-N -1 3 386.814 3.827 20 30 GHEDHM C[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC001154560116 1032182445 /nfs/dbraw/zinc/18/24/45/1032182445.db2.gz WZRWMKBUBUIRLS-FEEZOXBCSA-N -1 3 375.472 3.734 20 30 GHEDHM C=CCc1c([O-])ccc(C(C)=O)c1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001227120099 1032277175 /nfs/dbraw/zinc/27/71/75/1032277175.db2.gz DJTZYVGFKBWIKO-HXUWFJFHSA-N -1 3 395.499 3.993 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccc(F)c1)C1CCC1 ZINC000928668552 1017544039 /nfs/dbraw/zinc/54/40/39/1017544039.db2.gz WDQFWDPBRISRSD-UHFFFAOYSA-N -1 3 381.451 3.929 20 30 GHEDHM N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)C2)c(F)c1 ZINC000561228869 1017811551 /nfs/dbraw/zinc/81/15/51/1017811551.db2.gz GJJJOBIPIAYMQO-LBPRGKRZSA-N -1 3 393.340 3.887 20 30 GHEDHM [O-]N=C(Nc1ccc(N2CCCCC2)nn1)c1ccc(OC(F)(F)F)cc1 ZINC001155907314 1032781260 /nfs/dbraw/zinc/78/12/60/1032781260.db2.gz UVZFBNQKDMHALS-UHFFFAOYSA-N -1 3 381.358 3.613 20 30 GHEDHM C[C@H]1CCCN(c2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ncn2)C1 ZINC001155914449 1032790796 /nfs/dbraw/zinc/79/07/96/1032790796.db2.gz QZVCBYCWDIIGNE-LBPRGKRZSA-N -1 3 395.385 3.859 20 30 GHEDHM Cc1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc(-c2ccco2)n1 ZINC001155914305 1032792071 /nfs/dbraw/zinc/79/20/71/1032792071.db2.gz MFQMDDXGFOIELG-UHFFFAOYSA-N -1 3 378.310 3.613 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccnc1Oc1ccccc1 ZINC000047890771 1020146049 /nfs/dbraw/zinc/14/60/49/1020146049.db2.gz DYUWBWTXYYPLCL-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM Cc1nc(-c2c(C)noc2C)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000835064711 1021844148 /nfs/dbraw/zinc/84/41/48/1021844148.db2.gz YHOHDJVOAMUOAA-HNNXBMFYSA-N -1 3 394.456 3.993 20 30 GHEDHM CCSc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)ccn1 ZINC000755603004 1023309468 /nfs/dbraw/zinc/30/94/68/1023309468.db2.gz HJJAXCQWDLSECW-CYBMUJFWSA-N -1 3 389.864 3.817 20 30 GHEDHM CSc1ncc2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)nc2n1 ZINC001163764997 1026307501 /nfs/dbraw/zinc/30/75/01/1026307501.db2.gz JIVFNYFDQDNNNE-UHFFFAOYSA-N -1 3 395.366 3.893 20 30 GHEDHM C=CCn1ccc2c1ncnc2NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765704 1026309113 /nfs/dbraw/zinc/30/91/13/1026309113.db2.gz WEFBAVITEUYMTQ-UHFFFAOYSA-N -1 3 377.326 3.764 20 30 GHEDHM COC(=O)[C@H](C)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001163765846 1026309224 /nfs/dbraw/zinc/30/92/24/1026309224.db2.gz LIYHPCPTQNPPIA-SNVBAGLBSA-N -1 3 383.326 3.505 20 30 GHEDHM COC(=O)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc(OC)c1 ZINC001163768940 1026310446 /nfs/dbraw/zinc/31/04/46/1026310446.db2.gz HCBWXLGVACKFGK-UHFFFAOYSA-N -1 3 384.310 3.628 20 30 GHEDHM CN(CCC#N)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000841801730 1028947020 /nfs/dbraw/zinc/94/70/20/1028947020.db2.gz WICCIUDYRWLQJQ-GOSISDBHSA-N -1 3 375.831 3.744 20 30 GHEDHM C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142649845 1029206229 /nfs/dbraw/zinc/20/62/29/1029206229.db2.gz LZVNUVMIFSBXMT-AZUAARDMSA-N -1 3 379.884 3.612 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1 ZINC000842684472 1029489406 /nfs/dbraw/zinc/48/94/06/1029489406.db2.gz LHLCICPOZWHQKR-OAHLLOKOSA-N -1 3 399.834 3.651 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nccc3ccccc32)c(C)c1[O-] ZINC001149150840 1030077173 /nfs/dbraw/zinc/07/71/73/1030077173.db2.gz JWODVDVJUAWQJE-UHFFFAOYSA-N -1 3 375.384 3.550 20 30 GHEDHM C=CCCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC001153523663 1031633703 /nfs/dbraw/zinc/63/37/03/1031633703.db2.gz JVAITTSDXWRGPF-GOSISDBHSA-N -1 3 388.489 3.591 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226534932 1031999868 /nfs/dbraw/zinc/99/98/68/1031999868.db2.gz OIZKDCWMIJFDBQ-SFHVURJKSA-N -1 3 387.432 3.751 20 30 GHEDHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[n-]n1 ZINC001157105742 1033416378 /nfs/dbraw/zinc/41/63/78/1033416378.db2.gz WHXQMFPAIYOLPF-UHFFFAOYSA-N -1 3 389.415 3.842 20 30 GHEDHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n[n-]1 ZINC001157105742 1033416383 /nfs/dbraw/zinc/41/63/83/1033416383.db2.gz WHXQMFPAIYOLPF-UHFFFAOYSA-N -1 3 389.415 3.842 20 30 GHEDHM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O[C@@H]1CN2CCC1CC2 ZINC001229407310 1033465224 /nfs/dbraw/zinc/46/52/24/1033465224.db2.gz JLYPHOPQATXCLI-AVAOGFIGSA-N -1 3 379.456 3.770 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)CC1 ZINC001231455998 1034597985 /nfs/dbraw/zinc/59/79/85/1034597985.db2.gz GZMWPNJXPDCXQA-UHFFFAOYSA-N -1 3 390.455 3.525 20 30 GHEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001231680695 1034831959 /nfs/dbraw/zinc/83/19/59/1034831959.db2.gz UEJWICKMAILWAF-SFHVURJKSA-N -1 3 394.471 3.928 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001160175062 1034889303 /nfs/dbraw/zinc/88/93/03/1034889303.db2.gz XGFHHNWGVPLZKY-LRDDRELGSA-N -1 3 395.850 3.507 20 30 GHEDHM O=C(c1cc2nccc(C(F)(F)F)n2n1)N([O-])Cc1cccc2ccccc21 ZINC001161842330 1035313855 /nfs/dbraw/zinc/31/38/55/1035313855.db2.gz BDLSDILNHIETLS-UHFFFAOYSA-N -1 3 386.333 3.933 20 30 GHEDHM COc1ncc(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)cc1C(F)(F)F ZINC001243742989 1036263973 /nfs/dbraw/zinc/26/39/73/1036263973.db2.gz VWWJNNHHMDRBRD-NUGSKGIGSA-N -1 3 396.369 3.964 20 30 GHEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3cc([O-])c(F)c(F)c3)CC2)C1 ZINC001232967997 1038741510 /nfs/dbraw/zinc/74/15/10/1038741510.db2.gz DMPYWOUWFZPFFN-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001233803969 1039629179 /nfs/dbraw/zinc/62/91/79/1039629179.db2.gz VQHCAIZWNSGANF-YODDIOPGSA-N -1 3 391.265 3.924 20 30 GHEDHM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1ccc(/C=N/[O-])cc1OC ZINC001233807637 1039632200 /nfs/dbraw/zinc/63/22/00/1039632200.db2.gz WVBHHQLNUDSFIS-QHBIDGPYSA-N -1 3 379.334 3.982 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1F ZINC001255808506 1041315085 /nfs/dbraw/zinc/31/50/85/1041315085.db2.gz DBWPSWDPDDSNSW-UHFFFAOYSA-N -1 3 396.268 3.675 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1c([O-])cc(OC)cc1Cl)CCO2 ZINC001236798927 1041902544 /nfs/dbraw/zinc/90/25/44/1041902544.db2.gz JRNJMAHASQLRSF-FOIQADDNSA-N -1 3 381.900 3.628 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2C(F)(F)F)c(Cl)c1 ZINC001259114986 1044968636 /nfs/dbraw/zinc/96/86/36/1044968636.db2.gz OJWHRCSABFPIMR-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2c(O)cc(C(F)(F)F)cc2Cl)c1 ZINC001259125268 1044972057 /nfs/dbraw/zinc/97/20/57/1044972057.db2.gz SEQLWBCCUDVZKQ-UHFFFAOYSA-N -1 3 376.743 3.737 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c(F)c1Cl ZINC001259446383 1045162777 /nfs/dbraw/zinc/16/27/77/1045162777.db2.gz XTNLOTUQDUJAJP-UHFFFAOYSA-N -1 3 376.743 3.753 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1F ZINC001260033387 1045365308 /nfs/dbraw/zinc/36/53/08/1045365308.db2.gz PFQQXDQZBXESKK-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)cc1C#N ZINC001260145744 1045395836 /nfs/dbraw/zinc/39/58/36/1045395836.db2.gz AKWALFHTQCQJMU-UHFFFAOYSA-N -1 3 381.413 3.555 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC001262987602 1046471038 /nfs/dbraw/zinc/47/10/38/1046471038.db2.gz BUZGXUCGQFDDCV-IBGZPJMESA-N -1 3 390.491 3.893 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1cccc(C)c1C ZINC001262987603 1046471363 /nfs/dbraw/zinc/47/13/63/1046471363.db2.gz BUZGXUCGQFDDCV-LJQANCHMSA-N -1 3 390.491 3.893 20 30 GHEDHM O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001306893865 1048949002 /nfs/dbraw/zinc/94/90/02/1048949002.db2.gz AVKKSODDVIBYFT-QGZVFWFLSA-N -1 3 388.851 3.717 20 30 GHEDHM CC(C)(C)OC(=O)NCCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001306898563 1048950581 /nfs/dbraw/zinc/95/05/81/1048950581.db2.gz ISXADELIJATEEM-UHFFFAOYSA-N -1 3 388.439 3.925 20 30 GHEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001306900810 1048952572 /nfs/dbraw/zinc/95/25/72/1048952572.db2.gz SAKUEZOBHCZWFR-UHFFFAOYSA-N -1 3 399.454 3.722 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC001309469130 1050743460 /nfs/dbraw/zinc/74/34/60/1050743460.db2.gz GWZMCLOCHXTEDD-SECBINFHSA-N -1 3 376.381 3.558 20 30 GHEDHM CCCn1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C ZINC001343508946 1053825852 /nfs/dbraw/zinc/82/58/52/1053825852.db2.gz KKZCOOYAJQXLCH-AWEZNQCLSA-N -1 3 379.247 3.870 20 30 GHEDHM O=C(c1ccccc1)N1CCC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC001318166254 1054465457 /nfs/dbraw/zinc/46/54/57/1054465457.db2.gz LLDUUDFILGMQCX-CTPANLQCSA-N -1 3 387.277 3.878 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H]4C[C@@H]4C3)n2C[C@H]2CCOC2)c1[O-] ZINC001345281719 1054971853 /nfs/dbraw/zinc/97/18/53/1054971853.db2.gz ZKVCEVBYMBSNKC-ZHALLVOQSA-N -1 3 394.519 3.652 20 30 GHEDHM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N([O-])CCCCc2ccccc2)C1 ZINC001472619283 1056573821 /nfs/dbraw/zinc/57/38/21/1056573821.db2.gz FYQJVWHQNXHBAK-GOSISDBHSA-N -1 3 376.497 3.874 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@H](CC#N)C3)n2CCOC)c1[O-] ZINC001354944330 1056991324 /nfs/dbraw/zinc/99/13/24/1056991324.db2.gz UEPGCUOEXPZOQJ-KRWDZBQOSA-N -1 3 395.507 3.546 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001324001522 1057053280 /nfs/dbraw/zinc/05/32/80/1057053280.db2.gz QATBZLULAPNICB-LLVKDONJSA-N -1 3 397.300 3.595 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@H](CC#N)C1 ZINC001339118648 1058968139 /nfs/dbraw/zinc/96/81/39/1058968139.db2.gz QSOTXEVIMXQIKN-HNNXBMFYSA-N -1 3 385.899 3.738 20 30 GHEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](c2ccccc2OC)CC1 ZINC001340500297 1059954078 /nfs/dbraw/zinc/95/40/78/1059954078.db2.gz FNNRDQGOKNSJHF-OAHLLOKOSA-N -1 3 395.463 3.607 20 30 GHEDHM CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)CC(F)(F)F ZINC001475398468 1074861094 /nfs/dbraw/zinc/86/10/94/1074861094.db2.gz ZLQJURXCYPJEQU-SECBINFHSA-N -1 3 399.232 3.578 20 30 GHEDHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1C(C)C ZINC000737278212 598914964 /nfs/dbraw/zinc/91/49/64/598914964.db2.gz GNCWCVACXLLNQR-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1C(C)C ZINC000737278212 598914966 /nfs/dbraw/zinc/91/49/66/598914966.db2.gz GNCWCVACXLLNQR-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM COc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1-c1nnn[n-]1 ZINC000737081231 599125438 /nfs/dbraw/zinc/12/54/38/599125438.db2.gz LTZMJTGTRVNUDW-UHFFFAOYSA-N -1 3 380.411 3.727 20 30 GHEDHM COc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1-c1nn[n-]n1 ZINC000737081231 599125441 /nfs/dbraw/zinc/12/54/41/599125441.db2.gz LTZMJTGTRVNUDW-UHFFFAOYSA-N -1 3 380.411 3.727 20 30 GHEDHM CC(N=Nc1c(F)cc(F)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000735451037 599130204 /nfs/dbraw/zinc/13/02/04/599130204.db2.gz NDCYPIJTERWNNM-UHFFFAOYSA-N -1 3 393.195 3.744 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000735419951 599146815 /nfs/dbraw/zinc/14/68/15/599146815.db2.gz KUWIFJFZNXVCEA-SJORKVTESA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000735419951 599146818 /nfs/dbraw/zinc/14/68/18/599146818.db2.gz KUWIFJFZNXVCEA-SJORKVTESA-N -1 3 382.512 3.781 20 30 GHEDHM COc1ccc(C=C2CSc3ccc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737082989 599153599 /nfs/dbraw/zinc/15/35/99/599153599.db2.gz MBODPQLBNPADQC-IZZDOVSWSA-N -1 3 384.848 3.901 20 30 GHEDHM COc1ccc(C=C2CSc3ccc(Cl)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737082989 599153601 /nfs/dbraw/zinc/15/36/01/599153601.db2.gz MBODPQLBNPADQC-IZZDOVSWSA-N -1 3 384.848 3.901 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1cc(C)ccc1C ZINC000737319267 599157413 /nfs/dbraw/zinc/15/74/13/599157413.db2.gz GXODEKFTSCOEOZ-DHZHZOJOSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cc(C)ccc1C ZINC000737319267 599157415 /nfs/dbraw/zinc/15/74/15/599157415.db2.gz GXODEKFTSCOEOZ-DHZHZOJOSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737321629 599157885 /nfs/dbraw/zinc/15/78/85/599157885.db2.gz GUTQLUDWWGWYQP-FLIBITNWSA-N -1 3 384.443 3.874 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000735419915 599183483 /nfs/dbraw/zinc/18/34/83/599183483.db2.gz JYVBFANWYMCLJD-UHFFFAOYSA-N -1 3 398.470 3.701 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000735419915 599183485 /nfs/dbraw/zinc/18/34/85/599183485.db2.gz JYVBFANWYMCLJD-UHFFFAOYSA-N -1 3 398.470 3.701 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737717077 599195056 /nfs/dbraw/zinc/19/50/56/599195056.db2.gz YJYNKWINFSFIJI-LSDHHAIUSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737717077 599195059 /nfs/dbraw/zinc/19/50/59/599195059.db2.gz YJYNKWINFSFIJI-LSDHHAIUSA-N -1 3 399.241 3.787 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1C(F)(F)F ZINC000735448591 599195752 /nfs/dbraw/zinc/19/57/52/599195752.db2.gz SMAIZVGQGQAQIY-FLIBITNWSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1C(F)(F)F ZINC000735448591 599195754 /nfs/dbraw/zinc/19/57/54/599195754.db2.gz SMAIZVGQGQAQIY-FLIBITNWSA-N -1 3 398.348 3.799 20 30 GHEDHM FC(F)Oc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737639359 598315946 /nfs/dbraw/zinc/31/59/46/598315946.db2.gz RXYLFDHJPGFEFT-UHFFFAOYSA-N -1 3 398.295 3.933 20 30 GHEDHM FC(F)Oc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737639359 598315947 /nfs/dbraw/zinc/31/59/47/598315947.db2.gz RXYLFDHJPGFEFT-UHFFFAOYSA-N -1 3 398.295 3.933 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(COCC)c1 ZINC000735420951 598360079 /nfs/dbraw/zinc/36/00/79/598360079.db2.gz VVKVAOXCIQAJBL-UHFFFAOYSA-N -1 3 392.463 3.623 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(COCC)c1 ZINC000735420951 598360082 /nfs/dbraw/zinc/36/00/82/598360082.db2.gz VVKVAOXCIQAJBL-UHFFFAOYSA-N -1 3 392.463 3.623 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202361 598378511 /nfs/dbraw/zinc/37/85/11/598378511.db2.gz LRTNDMVRZCQISJ-CMDGGOBGSA-N -1 3 387.365 3.838 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202361 598378512 /nfs/dbraw/zinc/37/85/12/598378512.db2.gz LRTNDMVRZCQISJ-CMDGGOBGSA-N -1 3 387.365 3.838 20 30 GHEDHM CC(Cc1ccc(Br)cc1F)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736058047 598491990 /nfs/dbraw/zinc/49/19/90/598491990.db2.gz ZNMLILSLQKKRQL-UHFFFAOYSA-N -1 3 389.232 3.799 20 30 GHEDHM CC(Cc1ccc(Br)cc1F)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736058047 598491992 /nfs/dbraw/zinc/49/19/92/598491992.db2.gz ZNMLILSLQKKRQL-UHFFFAOYSA-N -1 3 389.232 3.799 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289084 598513329 /nfs/dbraw/zinc/51/33/29/598513329.db2.gz GHEFTXALASUHAM-VZUCSPMQSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289084 598513331 /nfs/dbraw/zinc/51/33/31/598513331.db2.gz GHEFTXALASUHAM-VZUCSPMQSA-N -1 3 385.196 3.591 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)Cc1ccccc1 ZINC000735420765 598534155 /nfs/dbraw/zinc/53/41/55/598534155.db2.gz TWCGGKRMHIPJBJ-FQEVSTJZSA-N -1 3 390.491 3.586 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)Cc1ccccc1 ZINC000735420765 598534157 /nfs/dbraw/zinc/53/41/57/598534157.db2.gz TWCGGKRMHIPJBJ-FQEVSTJZSA-N -1 3 390.491 3.586 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737730753 598543967 /nfs/dbraw/zinc/54/39/67/598543967.db2.gz RIBQRMXLXUALLH-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737730753 598543969 /nfs/dbraw/zinc/54/39/69/598543969.db2.gz RIBQRMXLXUALLH-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccnc3ccccc23)ccc1-c1nnn[n-]1 ZINC000737634230 598546679 /nfs/dbraw/zinc/54/66/79/598546679.db2.gz ZLVBTVABDGSHSC-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccnc3ccccc23)ccc1-c1nn[n-]n1 ZINC000737634230 598546680 /nfs/dbraw/zinc/54/66/80/598546680.db2.gz ZLVBTVABDGSHSC-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000737675790 598591206 /nfs/dbraw/zinc/59/12/06/598591206.db2.gz SDKZYYHIINKYHY-IQIBNGDESA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000737675790 598591207 /nfs/dbraw/zinc/59/12/07/598591207.db2.gz SDKZYYHIINKYHY-IQIBNGDESA-N -1 3 399.241 3.568 20 30 GHEDHM Cc1cc(C(=O)Nc2ccc(CC#N)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236803 598611136 /nfs/dbraw/zinc/61/11/36/598611136.db2.gz SCOAGWBMAYSLBO-UHFFFAOYSA-N -1 3 397.442 3.593 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000737720979 598648099 /nfs/dbraw/zinc/64/80/99/598648099.db2.gz DSLPYNRFRBCHJX-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3-c3nn[n-]n3)c2)cc1 ZINC000737720979 598648101 /nfs/dbraw/zinc/64/81/01/598648101.db2.gz DSLPYNRFRBCHJX-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736742225 598656713 /nfs/dbraw/zinc/65/67/13/598656713.db2.gz YCUSKVFFUCFKEV-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736742225 598656715 /nfs/dbraw/zinc/65/67/15/598656715.db2.gz YCUSKVFFUCFKEV-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737722510 598821755 /nfs/dbraw/zinc/82/17/55/598821755.db2.gz VSDMMMHDCPLWCS-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737722510 598821757 /nfs/dbraw/zinc/82/17/57/598821757.db2.gz VSDMMMHDCPLWCS-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(SC(F)F)cc1 ZINC000737805027 599464279 /nfs/dbraw/zinc/46/42/79/599464279.db2.gz FVWOJUDSVJTXAG-DAXSKMNVSA-N -1 3 398.398 3.725 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(SC(F)F)cc1 ZINC000737805027 599464281 /nfs/dbraw/zinc/46/42/81/599464281.db2.gz FVWOJUDSVJTXAG-DAXSKMNVSA-N -1 3 398.398 3.725 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc3c2OC(C)(C)C3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203415 599536805 /nfs/dbraw/zinc/53/68/05/599536805.db2.gz UDUZNYJMEHFKCB-MDZDMXLPSA-N -1 3 389.459 3.532 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc3c2OC(C)(C)C3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203415 599536807 /nfs/dbraw/zinc/53/68/07/599536807.db2.gz UDUZNYJMEHFKCB-MDZDMXLPSA-N -1 3 389.459 3.532 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000819744096 599677762 /nfs/dbraw/zinc/67/77/62/599677762.db2.gz WDIVQDOMXLTNBV-ZIFCJYIRSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000819744096 599677763 /nfs/dbraw/zinc/67/77/63/599677763.db2.gz WDIVQDOMXLTNBV-ZIFCJYIRSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819733869 607391705 /nfs/dbraw/zinc/39/17/05/607391705.db2.gz DHAWNBNKKCQYJC-LJQANCHMSA-N -1 3 376.464 3.716 20 30 GHEDHM C=CCC[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733869 607391706 /nfs/dbraw/zinc/39/17/06/607391706.db2.gz DHAWNBNKKCQYJC-LJQANCHMSA-N -1 3 376.464 3.716 20 30 GHEDHM C=CCC[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819733854 607404627 /nfs/dbraw/zinc/40/46/27/607404627.db2.gz CPWHGNAAJMPZJM-LJQANCHMSA-N -1 3 393.516 3.924 20 30 GHEDHM C=CCC[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733854 607404628 /nfs/dbraw/zinc/40/46/28/607404628.db2.gz CPWHGNAAJMPZJM-LJQANCHMSA-N -1 3 393.516 3.924 20 30 GHEDHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000737949891 600591048 /nfs/dbraw/zinc/59/10/48/600591048.db2.gz PFYKLSSDJGGIOZ-PIGZYNQJSA-N -1 3 389.249 3.806 20 30 GHEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821723564 607455949 /nfs/dbraw/zinc/45/59/49/607455949.db2.gz FIVKKNXUTYCVIG-AATRIKPKSA-N -1 3 388.786 3.573 20 30 GHEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821723564 607455950 /nfs/dbraw/zinc/45/59/50/607455950.db2.gz FIVKKNXUTYCVIG-AATRIKPKSA-N -1 3 388.786 3.573 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc(Br)ccc1F ZINC000822923837 607462221 /nfs/dbraw/zinc/46/22/21/607462221.db2.gz VTSRDMYPIWDGDB-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc(Br)ccc1F ZINC000822923837 607462223 /nfs/dbraw/zinc/46/22/23/607462223.db2.gz VTSRDMYPIWDGDB-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000739303937 602671090 /nfs/dbraw/zinc/67/10/90/602671090.db2.gz NCDCMCMMUAFMTN-JOYOIKCWSA-N -1 3 379.388 3.701 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000826847394 604221106 /nfs/dbraw/zinc/22/11/06/604221106.db2.gz IGAKZIIZBCGFMV-RYQLBKOJSA-N -1 3 385.464 3.503 20 30 GHEDHM COc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1NC(=O)[O-] ZINC000833888261 605348132 /nfs/dbraw/zinc/34/81/32/605348132.db2.gz ZDJIYJONPRYIED-UHFFFAOYSA-N -1 3 380.448 3.733 20 30 GHEDHM N#Cc1cccc(-c2csc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000826386932 607769517 /nfs/dbraw/zinc/76/95/17/607769517.db2.gz YTQVRHQJAVHUCR-HJWRWDBZSA-N -1 3 399.439 3.514 20 30 GHEDHM N#Cc1cccc(-c2csc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000826386932 607769518 /nfs/dbraw/zinc/76/95/18/607769518.db2.gz YTQVRHQJAVHUCR-HJWRWDBZSA-N -1 3 399.439 3.514 20 30 GHEDHM C=CCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000819734498 606314193 /nfs/dbraw/zinc/31/41/93/606314193.db2.gz PGQJRKUKIHUDME-UHFFFAOYSA-N -1 3 379.439 3.891 20 30 GHEDHM C=CCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000819734498 606314194 /nfs/dbraw/zinc/31/41/94/606314194.db2.gz PGQJRKUKIHUDME-UHFFFAOYSA-N -1 3 379.439 3.891 20 30 GHEDHM N#Cc1cnccc1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822842351 606322357 /nfs/dbraw/zinc/32/23/57/606322357.db2.gz DMUATVVXTSAOQR-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM N#Cc1cnccc1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822842351 606322359 /nfs/dbraw/zinc/32/23/59/606322359.db2.gz DMUATVVXTSAOQR-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820555083 606325151 /nfs/dbraw/zinc/32/51/51/606325151.db2.gz FXIWFUSCJJMWJM-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820555083 606325153 /nfs/dbraw/zinc/32/51/53/606325153.db2.gz FXIWFUSCJJMWJM-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)c(Br)c1 ZINC000822922225 606389146 /nfs/dbraw/zinc/38/91/46/606389146.db2.gz DQDJILCUJRCWCA-GORDUTHDSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1F ZINC000822923329 607123026 /nfs/dbraw/zinc/12/30/26/607123026.db2.gz PVQBXAIZZCXFMC-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1F ZINC000822923329 607123027 /nfs/dbraw/zinc/12/30/27/607123027.db2.gz PVQBXAIZZCXFMC-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM Cc1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cnc1Cl ZINC000822198596 607148883 /nfs/dbraw/zinc/14/88/83/607148883.db2.gz BHRCZWKFSJJRJJ-UHFFFAOYSA-N -1 3 381.749 3.688 20 30 GHEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cnc1Cl ZINC000822198596 607148884 /nfs/dbraw/zinc/14/88/84/607148884.db2.gz BHRCZWKFSJJRJJ-UHFFFAOYSA-N -1 3 381.749 3.688 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475529 607843060 /nfs/dbraw/zinc/84/30/60/607843060.db2.gz ITKXFOZHVROTHB-FNORWQNLSA-N -1 3 393.291 3.965 20 30 GHEDHM C=C[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000823883293 607979235 /nfs/dbraw/zinc/97/92/35/607979235.db2.gz NTPAIMGEJOCELW-GOSISDBHSA-N -1 3 375.476 3.964 20 30 GHEDHM C=C[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000823883293 607979236 /nfs/dbraw/zinc/97/92/36/607979236.db2.gz NTPAIMGEJOCELW-GOSISDBHSA-N -1 3 375.476 3.964 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1 ZINC000826382467 608000279 /nfs/dbraw/zinc/00/02/79/608000279.db2.gz GBSYHYWZHVKYFH-UHFFFAOYSA-N -1 3 378.461 3.515 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1 ZINC000826382467 608000280 /nfs/dbraw/zinc/00/02/80/608000280.db2.gz GBSYHYWZHVKYFH-UHFFFAOYSA-N -1 3 378.461 3.515 20 30 GHEDHM N#Cc1ccccc1COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387041 608866373 /nfs/dbraw/zinc/86/63/73/608866373.db2.gz CZDBGWRVZQXILB-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400312 609272233 /nfs/dbraw/zinc/27/22/33/609272233.db2.gz VIXPHNOPCCMTKQ-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400312 609272235 /nfs/dbraw/zinc/27/22/35/609272235.db2.gz VIXPHNOPCCMTKQ-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962584 609277740 /nfs/dbraw/zinc/27/77/40/609277740.db2.gz LODVWTJUECCNLO-UHFFFAOYSA-N -1 3 398.789 3.545 20 30 GHEDHM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962584 609277742 /nfs/dbraw/zinc/27/77/42/609277742.db2.gz LODVWTJUECCNLO-UHFFFAOYSA-N -1 3 398.789 3.545 20 30 GHEDHM N#Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826387078 609303310 /nfs/dbraw/zinc/30/33/10/609303310.db2.gz FUBUBRDSCLUZBW-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826387078 609303312 /nfs/dbraw/zinc/30/33/12/609303312.db2.gz FUBUBRDSCLUZBW-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM Cn1cc(C=NNc2cccc3ccccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360617 609306618 /nfs/dbraw/zinc/30/66/18/609306618.db2.gz RFNLNXRRZZQYAR-UHFFFAOYSA-N -1 3 394.442 3.866 20 30 GHEDHM Cn1cc(C=NNc2cccc3ccccc32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360617 609306621 /nfs/dbraw/zinc/30/66/21/609306621.db2.gz RFNLNXRRZZQYAR-UHFFFAOYSA-N -1 3 394.442 3.866 20 30 GHEDHM COc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826176734 609368693 /nfs/dbraw/zinc/36/86/93/609368693.db2.gz BENYXAYGGFRQRN-VQHVLOKHSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826176734 609368695 /nfs/dbraw/zinc/36/86/95/609368695.db2.gz BENYXAYGGFRQRN-VQHVLOKHSA-N -1 3 385.221 3.534 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(Cl)nc2ccccn21 ZINC000823958541 609471105 /nfs/dbraw/zinc/47/11/05/609471105.db2.gz PYWMBDOUFHCCHM-UHFFFAOYSA-N -1 3 387.234 3.657 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(Cl)nc2ccccn21 ZINC000823958541 609471107 /nfs/dbraw/zinc/47/11/07/609471107.db2.gz PYWMBDOUFHCCHM-UHFFFAOYSA-N -1 3 387.234 3.657 20 30 GHEDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000186613579 837315521 /nfs/dbraw/zinc/31/55/21/837315521.db2.gz OLLCZALTJDBGFE-UHFFFAOYSA-N -1 3 389.908 3.917 20 30 GHEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1C ZINC000177600969 837989265 /nfs/dbraw/zinc/98/92/65/837989265.db2.gz HLZBPHJELKAKIU-NSHDSACASA-N -1 3 379.247 3.811 20 30 GHEDHM C=CCn1c(=O)c2ccsc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000364007613 840401768 /nfs/dbraw/zinc/40/17/68/840401768.db2.gz GVVPSCWYANGAJJ-UHFFFAOYSA-N -1 3 398.469 3.692 20 30 GHEDHM COC(=O)c1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[n-]1 ZINC000431998208 840507292 /nfs/dbraw/zinc/50/72/92/840507292.db2.gz LEUIKALZPCZUOP-UHFFFAOYSA-N -1 3 375.384 3.504 20 30 GHEDHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000417589896 841037962 /nfs/dbraw/zinc/03/79/62/841037962.db2.gz QQQXMZWJMHQNCP-MRXNPFEDSA-N -1 3 378.350 3.891 20 30 GHEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000255290038 841098140 /nfs/dbraw/zinc/09/81/40/841098140.db2.gz LMGRVYUCFUKJCA-IOBAAEILSA-N -1 3 379.416 3.893 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccc2c1OCO2 ZINC000123445054 841774250 /nfs/dbraw/zinc/77/42/50/841774250.db2.gz PRSPGVQPCIIGHQ-LLVKDONJSA-N -1 3 377.183 3.683 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2sc([C@H](C)OC)nc2C)c(C#N)c1C ZINC000610519406 841851675 /nfs/dbraw/zinc/85/16/75/841851675.db2.gz SVSUMOFPESFQAV-JTQLQIEISA-N -1 3 393.490 3.830 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cccc(Cl)c3)n2)c1 ZINC000125520892 842034618 /nfs/dbraw/zinc/03/46/18/842034618.db2.gz YKDADABWRGDUPA-QGZVFWFLSA-N -1 3 378.819 3.795 20 30 GHEDHM COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1[O-] ZINC000006338599 842471692 /nfs/dbraw/zinc/47/16/92/842471692.db2.gz AWNZPPJZBKJCNO-FARCUNLSSA-N -1 3 378.178 3.968 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(-c2ccoc2)n1 ZINC000731069876 861447023 /nfs/dbraw/zinc/44/70/23/861447023.db2.gz MZZQXHZQWFREMB-UHFFFAOYSA-N -1 3 383.429 3.668 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000899748810 861710429 /nfs/dbraw/zinc/71/04/29/861710429.db2.gz FYXGCKRFVFUCQO-GOSISDBHSA-N -1 3 399.535 3.675 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cnn(Cc3ccc(F)cc3)c2)c(OC)cc1[O-] ZINC000588534946 847812596 /nfs/dbraw/zinc/81/25/96/847812596.db2.gz BRUGSKRSVBTCCE-YVMONPNESA-N -1 3 382.391 3.689 20 30 GHEDHM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1Cl ZINC000566310904 847844179 /nfs/dbraw/zinc/84/41/79/847844179.db2.gz WZFOBPYUXAKGRT-UHFFFAOYSA-N -1 3 385.917 3.504 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(-c2ccccc2)cs1 ZINC000435445067 850534401 /nfs/dbraw/zinc/53/44/01/850534401.db2.gz URTDKGLNAICGLE-NSHDSACASA-N -1 3 375.500 3.783 20 30 GHEDHM N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132687728 862225480 /nfs/dbraw/zinc/22/54/80/862225480.db2.gz VFAXFWHIKFPPCP-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cc(F)ccc2C)CCCC1 ZINC000329757688 862295998 /nfs/dbraw/zinc/29/59/98/862295998.db2.gz ZMSMODCLSYNRRS-UHFFFAOYSA-N -1 3 395.456 3.618 20 30 GHEDHM [O-]C(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC1=NCCS1 ZINC000057960098 862297714 /nfs/dbraw/zinc/29/77/14/862297714.db2.gz XDTIJJOHVJMISY-UHFFFAOYSA-N -1 3 396.903 3.954 20 30 GHEDHM C=CCC[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436795474 852354116 /nfs/dbraw/zinc/35/41/16/852354116.db2.gz RECLKCISLSZNRB-HXUWFJFHSA-N -1 3 392.499 3.863 20 30 GHEDHM O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029388789 862511885 /nfs/dbraw/zinc/51/18/85/862511885.db2.gz SHHFOFNEQQDMGV-UHFFFAOYSA-N -1 3 390.321 3.722 20 30 GHEDHM O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029388789 862511901 /nfs/dbraw/zinc/51/19/01/862511901.db2.gz SHHFOFNEQQDMGV-UHFFFAOYSA-N -1 3 390.321 3.722 20 30 GHEDHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(=O)[n-]1 ZINC000056470255 854745333 /nfs/dbraw/zinc/74/53/33/854745333.db2.gz GNCZWQIPKIWQPG-UHFFFAOYSA-N -1 3 388.427 3.540 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000105909237 855153025 /nfs/dbraw/zinc/15/30/25/855153025.db2.gz TVCDEPUXGPVUPV-JOCHJYFZSA-N -1 3 389.499 3.865 20 30 GHEDHM CCOc1ccc(C[C@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000590891959 855629074 /nfs/dbraw/zinc/62/90/74/855629074.db2.gz YAXLBOLSKGJURR-HNNXBMFYSA-N -1 3 395.503 3.602 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(F)cc3)n2)cc1 ZINC000131701997 855827567 /nfs/dbraw/zinc/82/75/67/855827567.db2.gz FMHRJUNBERYMRQ-MRXNPFEDSA-N -1 3 395.415 3.919 20 30 GHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509221251 856097840 /nfs/dbraw/zinc/09/78/40/856097840.db2.gz XZPNGKLITQWGNW-CYBMUJFWSA-N -1 3 379.707 3.709 20 30 GHEDHM N#Cc1ccccc1OCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000060422606 856293465 /nfs/dbraw/zinc/29/34/65/856293465.db2.gz MFCAPCTZYANQEX-UHFFFAOYSA-N -1 3 389.440 3.564 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000482204554 862804522 /nfs/dbraw/zinc/80/45/22/862804522.db2.gz DSWVBPJGINVULH-CJNGLKHVSA-N -1 3 383.414 3.693 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000173837259 857165967 /nfs/dbraw/zinc/16/59/67/857165967.db2.gz HOKNFEYVWVXYKM-NSHDSACASA-N -1 3 393.387 3.602 20 30 GHEDHM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000442955584 858253223 /nfs/dbraw/zinc/25/32/23/858253223.db2.gz XVMQLVNKTZHNOK-OAQYLSRUSA-N -1 3 377.488 3.781 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000129867178 859000070 /nfs/dbraw/zinc/00/00/70/859000070.db2.gz KTXXVLLXQPKAAO-AWEZNQCLSA-N -1 3 395.415 3.862 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000499703185 859102176 /nfs/dbraw/zinc/10/21/76/859102176.db2.gz FVGHTUIZWWKCNA-LLVKDONJSA-N -1 3 382.354 3.681 20 30 GHEDHM C=CCCC[C@@H](C)OC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000765490963 859999897 /nfs/dbraw/zinc/99/98/97/859999897.db2.gz BORVOJQEFVBKPO-SNVBAGLBSA-N -1 3 380.293 3.803 20 30 GHEDHM CCC[C@H](CCCS(C)(=O)=O)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180009 860188052 /nfs/dbraw/zinc/18/80/52/860188052.db2.gz GVKAIPDSUXJATD-CYBMUJFWSA-N -1 3 396.336 3.952 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1[O-] ZINC000727973164 860346110 /nfs/dbraw/zinc/34/61/10/860346110.db2.gz SVWNFQTZUCACDD-UHFFFAOYSA-N -1 3 393.418 3.659 20 30 GHEDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000509102496 861047487 /nfs/dbraw/zinc/04/74/87/861047487.db2.gz HRDJJWPNTYBAII-DYVFJYSZSA-N -1 3 378.881 3.772 20 30 GHEDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000509102495 861047734 /nfs/dbraw/zinc/04/77/34/861047734.db2.gz HRDJJWPNTYBAII-CXAGYDPISA-N -1 3 378.881 3.772 20 30 GHEDHM O=C(c1ccoc1)N1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901380368 863326068 /nfs/dbraw/zinc/32/60/68/863326068.db2.gz WNCRFUFWIMPOIL-UHFFFAOYSA-N -1 3 397.258 3.857 20 30 GHEDHM Cc1[nH]nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1-c1ccccc1 ZINC000522813607 863433941 /nfs/dbraw/zinc/43/39/41/863433941.db2.gz SBCXJGMAYOKVAW-UHFFFAOYSA-N -1 3 375.432 3.546 20 30 GHEDHM C=C(C)COc1cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)ccc1OC ZINC000671162813 864685127 /nfs/dbraw/zinc/68/51/27/864685127.db2.gz DAJWFJJXZDQQLB-QFIPXVFZSA-N -1 3 385.435 3.805 20 30 GHEDHM CCOc1ccc(NC(=O)C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000063427718 864737255 /nfs/dbraw/zinc/73/72/55/864737255.db2.gz BXYRKJAWMFKQGG-VXLYETTFSA-N -1 3 377.238 3.611 20 30 GHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000554727564 864777374 /nfs/dbraw/zinc/77/73/74/864777374.db2.gz VNQANDUNCWIPDF-CYBMUJFWSA-N -1 3 379.707 3.709 20 30 GHEDHM C=CCOc1c(Cl)cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1OC ZINC000628375116 864813084 /nfs/dbraw/zinc/81/30/84/864813084.db2.gz AITUISVBGNGUKS-UHFFFAOYSA-N -1 3 377.872 3.742 20 30 GHEDHM CC(N=Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(F)cc1[O-] ZINC000735976026 865079827 /nfs/dbraw/zinc/07/98/27/865079827.db2.gz HVBMIFWGCBENCB-UHFFFAOYSA-N -1 3 391.328 3.660 20 30 GHEDHM CCO[C@H](C)c1nc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000736767178 865275261 /nfs/dbraw/zinc/27/52/61/865275261.db2.gz XEQRXJCFRIKOLX-CYBMUJFWSA-N -1 3 389.477 3.506 20 30 GHEDHM C=C[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301611867 865454937 /nfs/dbraw/zinc/45/49/37/865454937.db2.gz RUPDURZBIITCGB-CQSZACIVSA-N -1 3 375.450 3.999 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)CCCCC1 ZINC000475570891 866365298 /nfs/dbraw/zinc/36/52/98/866365298.db2.gz KIVFLSZNRKNUOH-UHFFFAOYSA-N -1 3 383.926 3.843 20 30 GHEDHM COc1c(C)cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1C ZINC000920366605 882068040 /nfs/dbraw/zinc/06/80/40/882068040.db2.gz XJFODIADQSROAT-QGZVFWFLSA-N -1 3 396.472 3.587 20 30 GHEDHM O=C1Nc2cc([O-])ccc2C1=NN=c1[nH]c2cc(C(F)(F)F)ccc2s1 ZINC000743445210 868194674 /nfs/dbraw/zinc/19/46/74/868194674.db2.gz JONNHAWLUOOJPC-UHFFFAOYSA-N -1 3 378.335 3.789 20 30 GHEDHM Cc1c(F)cccc1-c1ccc(C=N[N-]S(=O)(=O)CCc2ccccc2)o1 ZINC000743449458 868198792 /nfs/dbraw/zinc/19/87/92/868198792.db2.gz XXDLFJFWXNDFJI-UHFFFAOYSA-N -1 3 386.448 3.890 20 30 GHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000523879561 868222324 /nfs/dbraw/zinc/22/23/24/868222324.db2.gz SGGZJDXQRPCLFK-JTQLQIEISA-N -1 3 387.324 3.816 20 30 GHEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2Cl)c(Cl)c1 ZINC001193350001 871036342 /nfs/dbraw/zinc/03/63/42/871036342.db2.gz KVJKFTFDVCLZBO-UHFFFAOYSA-N -1 3 398.271 3.933 20 30 GHEDHM N#Cc1sc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc1Cl ZINC000804357537 872672847 /nfs/dbraw/zinc/67/28/47/872672847.db2.gz FRQOXLAYOYQZGP-UHFFFAOYSA-N -1 3 397.287 3.882 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)cc1Cl ZINC001197725586 874010511 /nfs/dbraw/zinc/01/05/11/874010511.db2.gz GAVBTEWNYRDOGM-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM COc1ccccc1CC(=O)N1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000121492922 874158460 /nfs/dbraw/zinc/15/84/60/874158460.db2.gz MRPKEGBMORPYCP-OEAKJJBVSA-N -1 3 386.879 3.707 20 30 GHEDHM CCCOc1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)ccc1OC ZINC000769807748 874300167 /nfs/dbraw/zinc/30/01/67/874300167.db2.gz SNJZCCNQGHPXJQ-UHFFFAOYSA-N -1 3 398.467 3.530 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000464722659 874381553 /nfs/dbraw/zinc/38/15/53/874381553.db2.gz ABCRSANBXLCMHV-UHFFFAOYSA-N -1 3 375.472 3.824 20 30 GHEDHM CON=Cc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000770284277 874568679 /nfs/dbraw/zinc/56/86/79/874568679.db2.gz RUQSWBFUWDGDGT-NSHDSACASA-N -1 3 385.445 3.912 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1 ZINC000776274289 876139234 /nfs/dbraw/zinc/13/92/34/876139234.db2.gz MZYNJVRTMWRYDQ-UHFFFAOYSA-N -1 3 384.388 3.795 20 30 GHEDHM C[C@@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000776280614 876170248 /nfs/dbraw/zinc/17/02/48/876170248.db2.gz VEQBJQPODKMAMF-SNVBAGLBSA-N -1 3 393.226 3.605 20 30 GHEDHM N#C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1c(Cl)cccc1Cl ZINC001183091833 912249929 /nfs/dbraw/zinc/24/99/29/912249929.db2.gz ONEHXYJMNVTDKQ-LURJTMIESA-N -1 3 378.141 3.766 20 30 GHEDHM N#C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1c(Cl)cccc1Cl ZINC001183091833 912249957 /nfs/dbraw/zinc/24/99/57/912249957.db2.gz ONEHXYJMNVTDKQ-LURJTMIESA-N -1 3 378.141 3.766 20 30 GHEDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)on1 ZINC000451243309 877643656 /nfs/dbraw/zinc/64/36/56/877643656.db2.gz BCOCXFBICRDIHG-UHFFFAOYSA-N -1 3 381.885 3.776 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1c(Cl)nc2ccccn21 ZINC000130205510 877734526 /nfs/dbraw/zinc/73/45/26/877734526.db2.gz VGBOMIJKPANVDS-JTQLQIEISA-N -1 3 391.189 3.741 20 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/nfs/dbraw/zinc/02/98/21/881029821.db2.gz YRBBNCYXIMOQOH-FPLPWBNLSA-N -1 3 390.819 3.892 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000194723309 884209040 /nfs/dbraw/zinc/20/90/40/884209040.db2.gz FSAUWABODDBWNC-UHFFFAOYSA-N -1 3 393.462 3.794 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000860472285 884712865 /nfs/dbraw/zinc/71/28/65/884712865.db2.gz GYFOTAXLJZZZFB-OQUCYHQFSA-N -1 3 396.487 3.969 20 30 GHEDHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000914892256 885119645 /nfs/dbraw/zinc/11/96/45/885119645.db2.gz WIHFWNXZTSFEFY-SECBINFHSA-N -1 3 385.470 3.835 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001130903831 885359018 /nfs/dbraw/zinc/35/90/18/885359018.db2.gz AGTAFKGNQCVQGR-YOEHRIQHSA-N -1 3 396.528 3.767 20 30 GHEDHM C[C@@H]([N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC000862032054 886069181 /nfs/dbraw/zinc/06/91/81/886069181.db2.gz XDBDBRFEHAFNPH-MUWHJKNJSA-N -1 3 385.239 3.995 20 30 GHEDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000122683421 887094160 /nfs/dbraw/zinc/09/41/60/887094160.db2.gz LJXKPPFIDLFMFY-UHFFFAOYSA-N -1 3 377.853 3.751 20 30 GHEDHM COc1cc(CCC(=O)N([O-])Cc2cccc3ccccc32)cc(OC)c1O ZINC001184340524 913158207 /nfs/dbraw/zinc/15/82/07/913158207.db2.gz PMHJSPICNPKKEQ-UHFFFAOYSA-N -1 3 381.428 3.913 20 30 GHEDHM Cc1ccc(-n2nc(Br)cc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000119953755 887661616 /nfs/dbraw/zinc/66/16/16/887661616.db2.gz QZHROLZXYAVFKS-AWEZNQCLSA-N -1 3 381.233 3.828 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cccc(OC)c2OC(F)F)c(OC)cc1[O-] ZINC000763104267 887664729 /nfs/dbraw/zinc/66/47/29/887664729.db2.gz KKXMXEXDBRBGCK-BQYQJAHWSA-N -1 3 380.343 3.916 20 30 GHEDHM COc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1OCCCC#N ZINC000763107460 887670359 /nfs/dbraw/zinc/67/03/59/887670359.db2.gz UFQPTLZYRFHSDN-VURMDHGXSA-N -1 3 397.427 3.997 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)cc(Br)c1[O-] ZINC000794716841 887965521 /nfs/dbraw/zinc/96/55/21/887965521.db2.gz WJYGDWXBORZRIS-DJWKRKHSSA-N -1 3 390.189 3.906 20 30 GHEDHM C=CCCc1ccccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810234364 888312071 /nfs/dbraw/zinc/31/20/71/888312071.db2.gz BFZIEADDOAEVJZ-CQSZACIVSA-N -1 3 383.414 3.728 20 30 GHEDHM CC(C)Oc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000915946514 888568993 /nfs/dbraw/zinc/56/89/93/888568993.db2.gz LTQIUGOQVKEBIO-GOSISDBHSA-N -1 3 396.472 3.749 20 30 GHEDHM Cc1ccc(C(=O)Nc2ccccc2)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000915980163 888594523 /nfs/dbraw/zinc/59/45/23/888594523.db2.gz XODRXXSCBWKDQA-UHFFFAOYSA-N -1 3 375.428 3.899 20 30 GHEDHM CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810700559 888808587 /nfs/dbraw/zinc/80/85/87/888808587.db2.gz IRHPUUZGOIUPFN-UHFFFAOYSA-N -1 3 381.841 3.553 20 30 GHEDHM COc1cc(C(=O)/C=C/c2ccc(Cl)cc2-n2cncn2)c(OC)cc1[O-] ZINC000794941569 889001152 /nfs/dbraw/zinc/00/11/52/889001152.db2.gz REEUQTNMTONMSL-GQCTYLIASA-N -1 3 385.807 3.540 20 30 GHEDHM CCCCOc1ccc(-c2nnc(COC(=O)c3cc([O-])cc(C#N)c3)o2)cc1 ZINC000811187150 889271206 /nfs/dbraw/zinc/27/12/06/889271206.db2.gz LCSVAFGJIXMCDA-UHFFFAOYSA-N -1 3 393.399 3.850 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000811187024 889271515 /nfs/dbraw/zinc/27/15/15/889271515.db2.gz HKBQOXMWJVERBA-NSHDSACASA-N -1 3 383.791 3.809 20 30 GHEDHM C#CCN1CC[C@@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)CC2)C1=O ZINC001275321654 913337159 /nfs/dbraw/zinc/33/71/59/913337159.db2.gz FWQOTWNHAPJIBE-IBGZPJMESA-N -1 3 381.303 3.537 20 30 GHEDHM C=CCCCS(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000644634912 913416661 /nfs/dbraw/zinc/41/66/61/913416661.db2.gz KZIXSCJRQPBKFO-UHFFFAOYSA-N -1 3 376.400 3.762 20 30 GHEDHM C[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)nc2C1 ZINC000870142110 890229336 /nfs/dbraw/zinc/22/93/36/890229336.db2.gz GKLIRMFRUOSSNC-PWSUYJOCSA-N -1 3 391.258 3.733 20 30 GHEDHM CCC(C#N)(CC)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871318308 890754784 /nfs/dbraw/zinc/75/47/84/890754784.db2.gz YUNSJIRFKNKKMG-CYBMUJFWSA-N -1 3 381.398 3.515 20 30 GHEDHM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000130500791 891605229 /nfs/dbraw/zinc/60/52/29/891605229.db2.gz ICOVEJLBFYQTHH-GFCCVEGCSA-N -1 3 379.247 3.975 20 30 GHEDHM C=CCNc1nc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cs1 ZINC000004492946 913693822 /nfs/dbraw/zinc/69/38/22/913693822.db2.gz LFDMUTQCPFMCKE-SECBINFHSA-N -1 3 390.490 3.574 20 30 GHEDHM C[C@@](C#N)([N-]S(=O)(=O)c1ccc(-c2cnco2)cc1)c1ccccc1Cl ZINC001185242838 913756374 /nfs/dbraw/zinc/75/63/74/913756374.db2.gz AXLVWZGMEKVMPP-SFHVURJKSA-N -1 3 387.848 3.712 20 30 GHEDHM Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n(CCC#N)n1 ZINC000536689726 893542032 /nfs/dbraw/zinc/54/20/32/893542032.db2.gz RFWCWDJXVAWVHF-UHFFFAOYSA-N -1 3 376.416 3.642 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)N[C@H]3CCCN([O-])C3=O)c3ccccc3n2)c(C)c1 ZINC000816758470 895051778 /nfs/dbraw/zinc/05/17/78/895051778.db2.gz QERLIKIPFODETI-FQEVSTJZSA-N -1 3 389.455 3.629 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C(F)(F)F)cc1 ZINC000024505686 896274449 /nfs/dbraw/zinc/27/44/49/896274449.db2.gz HRGFJKJJBQFYIT-UHFFFAOYSA-N -1 3 378.350 3.558 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000820482479 897352380 /nfs/dbraw/zinc/35/23/80/897352380.db2.gz LAJQDMWLNMDQNC-MRVPVSSYSA-N -1 3 393.679 3.972 20 30 GHEDHM C#CC1(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])CCCCC1 ZINC001185939772 914182725 /nfs/dbraw/zinc/18/27/25/914182725.db2.gz JLSGZOGTXKQTAK-UHFFFAOYSA-N -1 3 384.520 3.915 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2OC(F)F)cc1-c1nnn[n-]1 ZINC000821787109 898074680 /nfs/dbraw/zinc/07/46/80/898074680.db2.gz OGJOFRBXPUYWGF-QHHAFSJGSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2OC(F)F)cc1-c1nn[n-]n1 ZINC000821787109 898074685 /nfs/dbraw/zinc/07/46/85/898074685.db2.gz OGJOFRBXPUYWGF-QHHAFSJGSA-N -1 3 390.321 3.512 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H](C)CCc2ccccc2)c(C)c1[O-] ZINC001186020497 914254372 /nfs/dbraw/zinc/25/43/72/914254372.db2.gz GWOXUWMELHBIQS-AWEZNQCLSA-N -1 3 380.444 3.956 20 30 GHEDHM C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471711 899617797 /nfs/dbraw/zinc/61/77/97/899617797.db2.gz RYFKLZLSJHEDCP-OAHLLOKOSA-N -1 3 386.459 3.795 20 30 GHEDHM C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471711 899617804 /nfs/dbraw/zinc/61/78/04/899617804.db2.gz RYFKLZLSJHEDCP-OAHLLOKOSA-N -1 3 386.459 3.795 20 30 GHEDHM O=C(C=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400727 899762084 /nfs/dbraw/zinc/76/20/84/899762084.db2.gz GKTVFKZCKGTMLE-FPYGCLRLSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400727 899762091 /nfs/dbraw/zinc/76/20/91/899762091.db2.gz GKTVFKZCKGTMLE-FPYGCLRLSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400393 899768429 /nfs/dbraw/zinc/76/84/29/899768429.db2.gz YEWPOWPTXSUAPR-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400393 899768438 /nfs/dbraw/zinc/76/84/38/899768438.db2.gz YEWPOWPTXSUAPR-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM N#Cc1ccc(OCc2ccc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)o2)cc1 ZINC000157163160 900312520 /nfs/dbraw/zinc/31/25/20/900312520.db2.gz IXUCAYDPNQFLPN-UHFFFAOYSA-N -1 3 393.790 3.679 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(C(C)(C)C)nc2)c(C)c1[O-] ZINC001147804254 903870265 /nfs/dbraw/zinc/87/02/65/903870265.db2.gz FOJLWAXCAMTJFG-UHFFFAOYSA-N -1 3 381.432 3.694 20 30 GHEDHM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc2ccccc2n1 ZINC000048858331 904221971 /nfs/dbraw/zinc/22/19/71/904221971.db2.gz GQHIUWHBWIVAHN-GOSISDBHSA-N -1 3 383.367 3.819 20 30 GHEDHM N#Cc1nc(N)c([N-]c2c(F)ccc(OCc3ccccc3)c2Cl)nc1C#N ZINC001175206306 907412076 /nfs/dbraw/zinc/41/20/76/907412076.db2.gz SRBXRXRAHRIGCG-UHFFFAOYSA-N -1 3 394.797 3.917 20 30 GHEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NN=C1c2ccccc2-c2ccccc21 ZINC000774364765 911670674 /nfs/dbraw/zinc/67/06/74/911670674.db2.gz RKDRGSOYYLMGJT-UHFFFAOYSA-N -1 3 386.342 3.908 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(C)(C)c2ccccc2C)c(C)c1[O-] ZINC001182467718 911738453 /nfs/dbraw/zinc/73/84/53/911738453.db2.gz VNPFMBLGWNTZOP-UHFFFAOYSA-N -1 3 380.444 3.974 20 30 GHEDHM Cc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1NC(=O)OC(C)(C)C ZINC001187643112 915411566 /nfs/dbraw/zinc/41/15/66/915411566.db2.gz VHEUDLZGRJSNBK-UHFFFAOYSA-N -1 3 384.436 3.781 20 30 GHEDHM CCCCCCCCCCCCS(=O)(=O)[N-]C1(C(=O)OC)CCOCC1 ZINC001187723836 915479587 /nfs/dbraw/zinc/47/95/87/915479587.db2.gz APSJGMRAVHEZET-UHFFFAOYSA-N -1 3 391.574 3.549 20 30 GHEDHM N#CCc1ccccc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC001188655781 916079855 /nfs/dbraw/zinc/07/98/55/916079855.db2.gz FTFMINJVKARGAB-KRWDZBQOSA-N -1 3 382.407 3.595 20 30 GHEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189417195 916621191 /nfs/dbraw/zinc/62/11/91/916621191.db2.gz OUOYLXHJBLCGOQ-UHFFFAOYSA-N -1 3 380.492 3.531 20 30 GHEDHM CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)[N-]c1sc(C)cc1C#N ZINC001189461893 916666023 /nfs/dbraw/zinc/66/60/23/916666023.db2.gz XHHVDZOITGDJIP-UHFFFAOYSA-N -1 3 377.416 3.941 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000294502332 916833634 /nfs/dbraw/zinc/83/36/34/916833634.db2.gz YAQJQSXVJXYGIT-KRWDZBQOSA-N -1 3 390.487 3.614 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000295716515 917443280 /nfs/dbraw/zinc/44/32/80/917443280.db2.gz LFESUNXCOLHCSL-QUCCMNQESA-N -1 3 377.488 3.908 20 30 GHEDHM CCCCCCCCNC(=O)Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001191052678 917725855 /nfs/dbraw/zinc/72/58/55/917725855.db2.gz QLFOCNUBPJWOTL-UHFFFAOYSA-N -1 3 382.505 3.606 20 30 GHEDHM O=C(/C=C\c1ccccc1)NCCC/N=C/c1cc(Br)ccc1[O-] ZINC000800721467 920394455 /nfs/dbraw/zinc/39/44/55/920394455.db2.gz NSVFKFUBSPMNLA-PQMOQIOBSA-N -1 3 387.277 3.793 20 30 GHEDHM O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N([O-])Cc1cccc2ccccc21 ZINC000901367433 921043030 /nfs/dbraw/zinc/04/30/30/921043030.db2.gz FJSZBNGONWMOFR-UHFFFAOYSA-N -1 3 391.395 3.868 20 30 GHEDHM O=C(c1ccoc1)N1CCC(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000901370926 921047713 /nfs/dbraw/zinc/04/77/13/921047713.db2.gz OAKXBGMOFBTJOX-UHFFFAOYSA-N -1 3 378.428 3.703 20 30 GHEDHM Cc1cccc(-n2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)nn2)c1 ZINC000901378401 921055914 /nfs/dbraw/zinc/05/59/14/921055914.db2.gz KQKNIANKFYCVJO-UHFFFAOYSA-N -1 3 377.231 3.914 20 30 GHEDHM O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901379408 921056877 /nfs/dbraw/zinc/05/68/77/921056877.db2.gz XODHKGLHZHWRBD-MRXNPFEDSA-N -1 3 390.842 3.749 20 30 GHEDHM COc1ccc2c(c1)C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)CO2 ZINC000901380602 921058889 /nfs/dbraw/zinc/05/88/89/921058889.db2.gz ZDZZBDKVDJNALR-ZDUSSCGKSA-N -1 3 382.243 3.971 20 30 GHEDHM N#CCCCN1CC[C@]2(CCCN2Cc2c(Cl)cc([O-])cc2Cl)C1=O ZINC001276164936 926402967 /nfs/dbraw/zinc/40/29/67/926402967.db2.gz LNSPLHBNLILEJU-GOSISDBHSA-N -1 3 382.291 3.570 20 30 GHEDHM [O-]c1c(F)cc(C=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1F ZINC000749859070 927316830 /nfs/dbraw/zinc/31/68/30/927316830.db2.gz NAKZNNBVJRMCHW-UHFFFAOYSA-N -1 3 395.291 3.987 20 30 GHEDHM [O-]c1c(O)cc(CN=Nc2nc(C(F)(F)F)cs2)cc1Br ZINC000757583453 929735325 /nfs/dbraw/zinc/73/53/25/929735325.db2.gz CTMCLDCSQCJROK-UHFFFAOYSA-N -1 3 382.161 3.782 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)c(C(F)(F)F)c(F)c2)cc1 ZINC000759439536 930368516 /nfs/dbraw/zinc/36/85/16/930368516.db2.gz ZNWGUPJKLYFVAA-LBPRGKRZSA-N -1 3 398.287 3.953 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cc(Cl)cs1 ZINC000782153158 931103285 /nfs/dbraw/zinc/10/32/85/931103285.db2.gz YNWSJXINHSFUMQ-CYBMUJFWSA-N -1 3 378.866 3.676 20 30 GHEDHM C=CCCN(OCc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000783873838 931700982 /nfs/dbraw/zinc/70/09/82/931700982.db2.gz BUHFVMPTBZOYSD-HXUWFJFHSA-N -1 3 394.471 3.533 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@@]1(C)Cc1ccccc1 ZINC000925441737 931784596 /nfs/dbraw/zinc/78/45/96/931784596.db2.gz UHSVZZVMVLNKGU-QFIPXVFZSA-N -1 3 395.528 3.743 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1[O-] ZINC000797398846 932271051 /nfs/dbraw/zinc/27/10/51/932271051.db2.gz RCJIVLOOGPIJBI-ATCZZSCNSA-N -1 3 393.256 3.855 20 30 GHEDHM O=C([C@@H]1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1)N1CCCCC1 ZINC000797785268 932407221 /nfs/dbraw/zinc/40/72/21/932407221.db2.gz YECMWLWOEUBPJK-IZQOGISBSA-N -1 3 379.298 3.755 20 30 GHEDHM C[C@@H]1[C@@H](/N=C/c2cc(Br)ccc2[O-])CC(=O)N1Cc1ccccc1 ZINC000798343629 932606526 /nfs/dbraw/zinc/60/65/26/932606526.db2.gz MPXWVXYDAABGCD-CKQWILCBSA-N -1 3 387.277 3.763 20 30 GHEDHM CCCCCCCS(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000799769581 933112200 /nfs/dbraw/zinc/11/22/00/933112200.db2.gz VSGAVVHUFOIZTC-INIZCTEOSA-N -1 3 380.514 3.719 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1C[C@H]1CCCOC1 ZINC000626410808 934307582 /nfs/dbraw/zinc/30/75/82/934307582.db2.gz XXVZECBKJQWGAE-IEBWSBKVSA-N -1 3 388.471 3.965 20 30 GHEDHM C=CCOc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000561875288 934527976 /nfs/dbraw/zinc/52/79/76/934527976.db2.gz BLFBWWDROQGQRU-UHFFFAOYSA-N -1 3 391.265 3.719 20 30 GHEDHM N#Cc1ccc(NCc2cc(=O)[n-]c(C3CCC3)n2)c(F)c1Br ZINC001120954279 934540930 /nfs/dbraw/zinc/54/09/30/934540930.db2.gz IEBHRAGNMQARHT-UHFFFAOYSA-N -1 3 377.217 3.835 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CN3CCCCC3)o2)cc1 ZINC001122542628 934894913 /nfs/dbraw/zinc/89/49/13/934894913.db2.gz RALRVNXXOBJLGB-LJQANCHMSA-N -1 3 379.460 3.789 20 30 GHEDHM COCCCOc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC001122988953 935048554 /nfs/dbraw/zinc/04/85/54/935048554.db2.gz GMLQDSOPCJOWJO-KRWDZBQOSA-N -1 3 375.428 3.844 20 30 GHEDHM C#CCN(C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)[C@@H]1CCCc2ccccc21 ZINC001573283344 946712921 /nfs/dbraw/zinc/71/29/21/946712921.db2.gz RKZIBQAWACQECU-JOCHJYFZSA-N -1 3 399.498 3.565 20 30 GHEDHM C#CCN(C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)[C@@H]1CCCc2ccccc21 ZINC001573283344 946712928 /nfs/dbraw/zinc/71/29/28/946712928.db2.gz RKZIBQAWACQECU-JOCHJYFZSA-N -1 3 399.498 3.565 20 30 GHEDHM C=CCCC[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001573335498 947479715 /nfs/dbraw/zinc/47/97/15/947479715.db2.gz PSQAHARMSVYBMR-QGZVFWFLSA-N -1 3 378.432 3.921 20 30 GHEDHM C=CCCC[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001573335498 947479733 /nfs/dbraw/zinc/47/97/33/947479733.db2.gz PSQAHARMSVYBMR-QGZVFWFLSA-N -1 3 378.432 3.921 20 30 GHEDHM C=CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1OC ZINC001588868673 984434318 /nfs/dbraw/zinc/43/43/18/984434318.db2.gz PMOVRZYJXZLLKE-SFHVURJKSA-N -1 3 391.851 3.838 20 30 GHEDHM C[C@@H](C#N)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001589335765 986213479 /nfs/dbraw/zinc/21/34/79/986213479.db2.gz TZSYFRTYVKWESU-SJCJKPOMSA-N -1 3 378.350 3.912 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC000468126148 1015303782 /nfs/dbraw/zinc/30/37/82/1015303782.db2.gz IYTULGGUDWHJME-UHFFFAOYSA-N -1 3 392.381 3.821 20 30 GHEDHM COCCN(Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC001599238326 997987577 /nfs/dbraw/zinc/98/75/77/997987577.db2.gz MOGBXTNKNNMNIK-UHFFFAOYSA-N -1 3 395.434 3.536 20 30 GHEDHM COc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc(OC)c1[O-] ZINC000545856702 1016527713 /nfs/dbraw/zinc/52/77/13/1016527713.db2.gz HECWISOVWZLXNF-LBPRGKRZSA-N -1 3 381.215 3.711 20 30 GHEDHM CCCCCCC[N-]S(=O)(=O)c1ccc(I)s1 ZINC001309705876 1050930313 /nfs/dbraw/zinc/93/03/13/1050930313.db2.gz FELFAWUFQCEWRF-UHFFFAOYSA-N -1 3 387.308 3.601 20 30 GHEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471095371 1016951735 /nfs/dbraw/zinc/95/17/35/1016951735.db2.gz MPRQLVULLUCCCV-PELKAZGASA-N -1 3 390.274 3.569 20 30 GHEDHM COc1ccc2ncc([O-])c(C(=O)N3CCC(C#Cc4ccccc4)CC3)c2c1 ZINC001154510615 1032152945 /nfs/dbraw/zinc/15/29/45/1032152945.db2.gz DOKQYORRABIDRA-UHFFFAOYSA-N -1 3 386.451 3.853 20 30 GHEDHM COc1ccc2cccc(CCNC(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)c2c1 ZINC001154560489 1032182258 /nfs/dbraw/zinc/18/22/58/1032182258.db2.gz LIGASIFPTYIKTH-UHFFFAOYSA-N -1 3 397.434 3.534 20 30 GHEDHM N#Cc1ccc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)c(OC(F)(F)F)c1 ZINC001155178520 1032446206 /nfs/dbraw/zinc/44/62/06/1032446206.db2.gz KHRORMCXTYRZKB-UHFFFAOYSA-N -1 3 381.701 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)c(OC(F)(F)F)c1 ZINC001155178520 1032446212 /nfs/dbraw/zinc/44/62/12/1032446212.db2.gz KHRORMCXTYRZKB-UHFFFAOYSA-N -1 3 381.701 3.634 20 30 GHEDHM N#CC1([N-]C(=O)C(F)(F)c2ccccc2F)CCN(Cc2ccccc2)CC1 ZINC000778111511 1018590459 /nfs/dbraw/zinc/59/04/59/1018590459.db2.gz YUSHSDLDUGLWRS-UHFFFAOYSA-N -1 3 387.405 3.592 20 30 GHEDHM COc1cccc2ncnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c21 ZINC001155914138 1032791342 /nfs/dbraw/zinc/79/13/42/1032791342.db2.gz GHVLQSOAFCCAOG-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM CCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)c(OC)c1 ZINC000835061984 1021836322 /nfs/dbraw/zinc/83/63/22/1021836322.db2.gz MDHNHIUMGFMKBA-KRWDZBQOSA-N -1 3 396.443 3.844 20 30 GHEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccccc1 ZINC000756980357 1023896546 /nfs/dbraw/zinc/89/65/46/1023896546.db2.gz LYNWTNCKWBBIPW-ZDUSSCGKSA-N -1 3 399.697 3.540 20 30 GHEDHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(C#Cc3ccccc3)c2)c([O-])c1 ZINC001141303947 1024472093 /nfs/dbraw/zinc/47/20/93/1024472093.db2.gz GOKHZSOGUPWKEC-UHFFFAOYSA-N -1 3 398.462 3.859 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccc(Cl)s1 ZINC000839395318 1025872714 /nfs/dbraw/zinc/87/27/14/1025872714.db2.gz QSNVDQGWMLAGDM-GFCCVEGCSA-N -1 3 378.866 3.676 20 30 GHEDHM O=c1occ2[nH]c(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c(Cl)cc1-2 ZINC001163765375 1026308718 /nfs/dbraw/zinc/30/87/18/1026308718.db2.gz DLZQJSBLTYMNDB-UHFFFAOYSA-N -1 3 387.701 3.552 20 30 GHEDHM Cc1ccc(C)c(Sc2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cc2)c1 ZINC001214434610 1028734407 /nfs/dbraw/zinc/73/44/07/1028734407.db2.gz MJJBCONUDZVGDA-QGZVFWFLSA-N -1 3 385.489 3.956 20 30 GHEDHM C[C@@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C1 ZINC000842690040 1029497393 /nfs/dbraw/zinc/49/73/93/1029497393.db2.gz MSNABPTYEGOGSQ-YGRLFVJLSA-N -1 3 391.258 3.733 20 30 GHEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccccc1Sc1ccccc1C#N)C2 ZINC001149672207 1030267089 /nfs/dbraw/zinc/26/70/89/1030267089.db2.gz RTKNLXGQRXADHE-UHFFFAOYSA-N -1 3 388.452 3.670 20 30 GHEDHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc(F)c(C#N)cc1OC ZINC001151373519 1030883347 /nfs/dbraw/zinc/88/33/47/1030883347.db2.gz WQDMDUJDMBLPSP-UHFFFAOYSA-N -1 3 381.363 3.616 20 30 GHEDHM C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001218456769 1030944501 /nfs/dbraw/zinc/94/45/01/1030944501.db2.gz WTCANHCDVRTMLB-SJLPKXTDSA-N -1 3 393.439 3.947 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)c([O-])cc1F ZINC001219068321 1031238759 /nfs/dbraw/zinc/23/87/59/1031238759.db2.gz PDGHWRMXLLAVIC-LJQANCHMSA-N -1 3 375.403 3.578 20 30 GHEDHM N#Cc1ccc(C2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)cc1 ZINC001157525118 1033638916 /nfs/dbraw/zinc/63/89/16/1033638916.db2.gz WZAUHVQHOYHKHA-UHFFFAOYSA-N -1 3 393.393 3.698 20 30 GHEDHM C=Cc1cc([O-])cc2nc(-c3ccc(O[C@H]4CCN(CC#N)C4)c(F)c3)oc21 ZINC001229711959 1033657385 /nfs/dbraw/zinc/65/73/85/1033657385.db2.gz ZIBGHZUSHSNVPB-INIZCTEOSA-N -1 3 379.391 3.959 20 30 GHEDHM CCCCCCCCNC(=S)Nc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001247141648 1037941832 /nfs/dbraw/zinc/94/18/32/1037941832.db2.gz SQTKYVRLNXPYRZ-UHFFFAOYSA-N -1 3 398.573 3.771 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001233799278 1039625047 /nfs/dbraw/zinc/62/50/47/1039625047.db2.gz GSLAMQIDFDBFRM-BHUREZLBSA-N -1 3 376.453 3.670 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001233802873 1039626726 /nfs/dbraw/zinc/62/67/26/1039626726.db2.gz JKKNPOJMEFWLBE-FCQRQVBFSA-N -1 3 386.395 3.527 20 30 GHEDHM N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3CCN(Cc4ccccc4Cl)C3)c2c1 ZINC001234530285 1040103917 /nfs/dbraw/zinc/10/39/17/1040103917.db2.gz JWICFSJSQLUTEC-OAHLLOKOSA-N -1 3 380.835 3.514 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC1 ZINC001254290119 1040141134 /nfs/dbraw/zinc/14/11/34/1040141134.db2.gz IBONGHTXRIZXID-UHFFFAOYSA-N -1 3 395.406 3.978 20 30 GHEDHM CCCc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC001255232172 1040919552 /nfs/dbraw/zinc/91/95/52/1040919552.db2.gz COLHNSGHBNGEFH-UHFFFAOYSA-N -1 3 381.313 3.750 20 30 GHEDHM N#Cc1c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)sc2c1CCNC2 ZINC001237477370 1042225356 /nfs/dbraw/zinc/22/53/56/1042225356.db2.gz VFDYAMWCHFQBJD-UHFFFAOYSA-N -1 3 395.509 3.733 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2F)cc1 ZINC001258109282 1044400123 /nfs/dbraw/zinc/40/01/23/1044400123.db2.gz JKKMCSAKLQWIIU-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)c(F)cc2F)cc1 ZINC001258116228 1044403786 /nfs/dbraw/zinc/40/37/86/1044403786.db2.gz FTWNPOMCHXSQMI-UHFFFAOYSA-N -1 3 378.278 3.536 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259419116 1045139733 /nfs/dbraw/zinc/13/97/33/1045139733.db2.gz JUGDRZOQPRNHJB-UHFFFAOYSA-N -1 3 394.399 3.593 20 30 GHEDHM CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC001298543766 1045864208 /nfs/dbraw/zinc/86/42/08/1045864208.db2.gz WNHLQOSIGVJABZ-GKQMTVFQSA-N -1 3 397.302 3.688 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1c(Cl)cccc1Cl ZINC001298599107 1045886329 /nfs/dbraw/zinc/88/63/29/1045886329.db2.gz AYOKRKNCOWJFKT-AWEZNQCLSA-N -1 3 385.197 3.807 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2sccc2[C@@H]1CC ZINC001262988406 1046472216 /nfs/dbraw/zinc/47/22/16/1046472216.db2.gz ROBXYYXZZXNRQP-HNNXBMFYSA-N -1 3 382.493 3.510 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](c2ccccc2)CC1 ZINC001262987981 1046472259 /nfs/dbraw/zinc/47/22/59/1046472259.db2.gz JUTYVCHYWPOAON-GOSISDBHSA-N -1 3 390.491 3.709 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001263286272 1046681204 /nfs/dbraw/zinc/68/12/04/1046681204.db2.gz ZPJIUNPIDQFGNM-NRFANRHFSA-N -1 3 380.496 3.652 20 30 GHEDHM O=C(c1cc(F)c(N2CCOCC2)c(F)c1)N([O-])Cc1cccc2ccccc21 ZINC001306900819 1048952690 /nfs/dbraw/zinc/95/26/90/1048952690.db2.gz SLNGZTGGKUBAEG-UHFFFAOYSA-N -1 3 398.409 3.986 20 30 GHEDHM N#Cc1ccccc1NC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC001307967609 1049728812 /nfs/dbraw/zinc/72/88/12/1049728812.db2.gz PVTDWOLWLHOMJR-UHFFFAOYSA-N -1 3 385.471 3.797 20 30 GHEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC001309627263 1050876874 /nfs/dbraw/zinc/87/68/74/1050876874.db2.gz VJHFKYUUOLBABE-HXUWFJFHSA-N -1 3 395.484 3.567 20 30 GHEDHM Cn1nc(Br)cc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001332030335 1051441986 /nfs/dbraw/zinc/44/19/86/1051441986.db2.gz NKVIUHBBYFSVPO-UHFFFAOYSA-N -1 3 379.041 3.521 20 30 GHEDHM Cn1c(=O)cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC001334856861 1051990804 /nfs/dbraw/zinc/99/08/04/1051990804.db2.gz JCUPIUDFKAWGEP-UHFFFAOYSA-N -1 3 377.227 3.877 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001336662685 1052299212 /nfs/dbraw/zinc/29/92/12/1052299212.db2.gz FDNYQGSDSJIDHV-LLVKDONJSA-N -1 3 375.831 3.878 20 30 GHEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)(F)C[C@H]1C ZINC001342302909 1053090818 /nfs/dbraw/zinc/09/08/18/1053090818.db2.gz IVOPCANZJVFYHI-GFCCVEGCSA-N -1 3 390.438 3.518 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000848137897 1056743510 /nfs/dbraw/zinc/74/35/10/1056743510.db2.gz HKNBSFKMAJIFSW-DOTOQJQBSA-N -1 3 390.892 3.670 20 30 GHEDHM COCC[C@H]1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2ccccc21 ZINC001337893520 1058315064 /nfs/dbraw/zinc/31/50/64/1058315064.db2.gz OQILQZPQQXZASY-QGZVFWFLSA-N -1 3 393.487 3.765 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)CSc1ccccc1 ZINC001339198545 1059005536 /nfs/dbraw/zinc/00/55/36/1059005536.db2.gz YNHQFFNRMJRWOV-CQSZACIVSA-N -1 3 396.520 3.552 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC001339197516 1059005815 /nfs/dbraw/zinc/00/58/15/1059005815.db2.gz RBEFSYSJGVYUEF-QAPCUYQASA-N -1 3 390.491 3.626 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)C[C@H]1c1ccccc1F ZINC001339855061 1059519454 /nfs/dbraw/zinc/51/94/54/1059519454.db2.gz NSAUZOVUDYKOCX-ACJLOTCBSA-N -1 3 394.454 3.662 20 30 GHEDHM N#CCc1cccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)c1 ZINC001449729282 1060451265 /nfs/dbraw/zinc/45/12/65/1060451265.db2.gz SYKQKSKVHFMSAB-UHFFFAOYSA-N -1 3 387.317 3.745 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001345972588 1061254260 /nfs/dbraw/zinc/25/42/60/1061254260.db2.gz BHOKTUHGVZJWFV-UHFFFAOYSA-N -1 3 384.871 3.615 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC001346014998 1061289056 /nfs/dbraw/zinc/28/90/56/1061289056.db2.gz TYYDWAYBPOXXRY-LJQANCHMSA-N -1 3 399.454 3.668 20 30 GHEDHM COC(=O)[C@]1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)C[C@H]1c1ccccc1 ZINC001346146852 1061402605 /nfs/dbraw/zinc/40/26/05/1061402605.db2.gz BCDIIIFAUHKRHH-YZVOILCLSA-N -1 3 388.345 3.624 20 30 GHEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc4ccnc(Cl)c4s3)n2)cc1 ZINC001361287547 1061795100 /nfs/dbraw/zinc/79/51/00/1061795100.db2.gz RIFDGUZIEZFCIN-UHFFFAOYSA-N -1 3 394.847 3.713 20 30 GHEDHM Cn1cnc(-c2ccc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)cc2)n1 ZINC001457999448 1063498259 /nfs/dbraw/zinc/49/82/59/1063498259.db2.gz XJRFSFCCNORCJA-UHFFFAOYSA-N -1 3 377.231 3.821 20 30 GHEDHM CCc1ccc(C#CC(=O)Nc2ccc(I)cc2[O-])cc1 ZINC001466817822 1066334791 /nfs/dbraw/zinc/33/47/91/1066334791.db2.gz SJVYYIZJDHXXNH-UHFFFAOYSA-N -1 3 391.208 3.549 20 30 GHEDHM CC(C)(C[N-]C(=O)C(F)(F)c1ccccc1C#N)Oc1cc(F)cc(F)c1 ZINC001467925009 1067529494 /nfs/dbraw/zinc/52/94/94/1067529494.db2.gz JMBRVHNXHOXJGN-UHFFFAOYSA-N -1 3 380.341 3.902 20 30 GHEDHM C=CC(C)(C)CCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001470454619 1072563015 /nfs/dbraw/zinc/56/30/15/1072563015.db2.gz VTESQSYMGUOVEK-FQEVSTJZSA-N -1 3 380.488 3.972 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c([O-])c1 ZINC001472589062 1073564592 /nfs/dbraw/zinc/56/45/92/1073564592.db2.gz LFUWLAUMMHWAAO-IBGZPJMESA-N -1 3 393.487 3.794 20 30 GHEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001475102186 1074738137 /nfs/dbraw/zinc/73/81/37/1074738137.db2.gz CVGKAXFKFGEUDI-NSHDSACASA-N -1 3 378.372 3.731 20 30 GHEDHM O=C(Nc1cccc(CSC2CCCCC2)c1)N[C@H]1CCCN([O-])C1=O ZINC001476162673 1075098109 /nfs/dbraw/zinc/09/81/09/1075098109.db2.gz UQXCGQUMSATHSD-KRWDZBQOSA-N -1 3 377.510 3.754 20 30 GHEDHM N#Cc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737710229 598915470 /nfs/dbraw/zinc/91/54/70/598915470.db2.gz VTYSRDFPPSQAGJ-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737710229 598915472 /nfs/dbraw/zinc/91/54/72/598915472.db2.gz VTYSRDFPPSQAGJ-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM CC(C)(C)c1ccc(SCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735652926 598924599 /nfs/dbraw/zinc/92/45/99/598924599.db2.gz YNJWHWAMNQIACZ-UHFFFAOYSA-N -1 3 392.488 3.767 20 30 GHEDHM CC(C)(C)c1ccc(SCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735652926 598924601 /nfs/dbraw/zinc/92/46/01/598924601.db2.gz YNJWHWAMNQIACZ-UHFFFAOYSA-N -1 3 392.488 3.767 20 30 GHEDHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737317918 598928617 /nfs/dbraw/zinc/92/86/17/598928617.db2.gz QHBFRFFNCPZDON-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737317918 598928618 /nfs/dbraw/zinc/92/86/18/598928618.db2.gz QHBFRFFNCPZDON-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1cc(F)ccc1-c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822204623 607254651 /nfs/dbraw/zinc/25/46/51/607254651.db2.gz VABVGRIOJVGWQD-UHFFFAOYSA-N -1 3 376.395 3.698 20 30 GHEDHM Cc1cc(F)ccc1-c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822204623 607254652 /nfs/dbraw/zinc/25/46/52/607254652.db2.gz VABVGRIOJVGWQD-UHFFFAOYSA-N -1 3 376.395 3.698 20 30 GHEDHM COc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(SC)cc1OC ZINC000737043681 599033396 /nfs/dbraw/zinc/03/33/96/599033396.db2.gz YYHYMMUOUYMETN-FPLPWBNLSA-N -1 3 382.445 3.502 20 30 GHEDHM COc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(SC)cc1OC ZINC000737043681 599033399 /nfs/dbraw/zinc/03/33/99/599033399.db2.gz YYHYMMUOUYMETN-FPLPWBNLSA-N -1 3 382.445 3.502 20 30 GHEDHM C=CCCOCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735416084 599188064 /nfs/dbraw/zinc/18/80/64/599188064.db2.gz CMXBJAILHLCQIU-UHFFFAOYSA-N -1 3 397.866 3.646 20 30 GHEDHM C=CCCOCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735416084 599188067 /nfs/dbraw/zinc/18/80/67/599188067.db2.gz CMXBJAILHLCQIU-UHFFFAOYSA-N -1 3 397.866 3.646 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccncc1 ZINC000735443570 599287019 /nfs/dbraw/zinc/28/70/19/599287019.db2.gz XGGJSZIHXGHYGF-ZDUSSCGKSA-N -1 3 390.476 3.560 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccncc1 ZINC000735443570 599287021 /nfs/dbraw/zinc/28/70/21/599287021.db2.gz XGGJSZIHXGHYGF-ZDUSSCGKSA-N -1 3 390.476 3.560 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3sccc3-c3nnn[n-]3)c2)cc1 ZINC000737721454 598232168 /nfs/dbraw/zinc/23/21/68/598232168.db2.gz KFGYANIBJRYLSU-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3sccc3-c3nn[n-]n3)c2)cc1 ZINC000737721454 598232169 /nfs/dbraw/zinc/23/21/69/598232169.db2.gz KFGYANIBJRYLSU-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccc3ncccc3c2)ccc1-c1nnn[n-]1 ZINC000737632893 598315877 /nfs/dbraw/zinc/31/58/77/598315877.db2.gz OLRJZUZCKZRZAQ-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccc3ncccc3c2)ccc1-c1nn[n-]n1 ZINC000737632893 598315879 /nfs/dbraw/zinc/31/58/79/598315879.db2.gz OLRJZUZCKZRZAQ-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402097 598475665 /nfs/dbraw/zinc/47/56/65/598475665.db2.gz HVQVXITVKDFYFI-AWEZNQCLSA-N -1 3 378.436 3.704 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402097 598475666 /nfs/dbraw/zinc/47/56/66/598475666.db2.gz HVQVXITVKDFYFI-AWEZNQCLSA-N -1 3 378.436 3.704 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735503725 598495637 /nfs/dbraw/zinc/49/56/37/598495637.db2.gz LQVXAXQKWKSVKP-AWEZNQCLSA-N -1 3 392.488 3.690 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735503725 598495639 /nfs/dbraw/zinc/49/56/39/598495639.db2.gz LQVXAXQKWKSVKP-AWEZNQCLSA-N -1 3 392.488 3.690 20 30 GHEDHM N#Cc1ccc(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000737713341 598554236 /nfs/dbraw/zinc/55/42/36/598554236.db2.gz WUAAVDRNPOOTDE-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1ccc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000737713341 598554237 /nfs/dbraw/zinc/55/42/37/598554237.db2.gz WUAAVDRNPOOTDE-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H](Cc1ccccc1)c1ccccc1 ZINC000737705943 598569434 /nfs/dbraw/zinc/56/94/34/598569434.db2.gz RPKREGGILFAJQZ-SFHVURJKSA-N -1 3 399.483 3.792 20 30 GHEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H](Cc1ccccc1)c1ccccc1 ZINC000737705943 598569435 /nfs/dbraw/zinc/56/94/35/598569435.db2.gz RPKREGGILFAJQZ-SFHVURJKSA-N -1 3 399.483 3.792 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1ccccc1OC ZINC000735418145 598656029 /nfs/dbraw/zinc/65/60/29/598656029.db2.gz BZUWZIVXYOGHEU-MRXNPFEDSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1ccccc1OC ZINC000735418145 598656030 /nfs/dbraw/zinc/65/60/30/598656030.db2.gz BZUWZIVXYOGHEU-MRXNPFEDSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1ccc(C)cc1 ZINC000735419356 598656465 /nfs/dbraw/zinc/65/64/65/598656465.db2.gz SCEROAOCPIPTOZ-UHFFFAOYSA-N -1 3 375.476 3.668 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1ccc(C)cc1 ZINC000735419356 598656467 /nfs/dbraw/zinc/65/64/67/598656467.db2.gz SCEROAOCPIPTOZ-UHFFFAOYSA-N -1 3 375.476 3.668 20 30 GHEDHM C=CC1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000735403105 598666162 /nfs/dbraw/zinc/66/61/62/598666162.db2.gz PESRCTVLTXKEQU-UHFFFAOYSA-N -1 3 375.432 3.697 20 30 GHEDHM C=CC1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000735403105 598666164 /nfs/dbraw/zinc/66/61/64/598666164.db2.gz PESRCTVLTXKEQU-UHFFFAOYSA-N -1 3 375.432 3.697 20 30 GHEDHM CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506027 598818560 /nfs/dbraw/zinc/81/85/60/598818560.db2.gz OQNMAIGUFOSMAD-HNNXBMFYSA-N -1 3 399.458 3.568 20 30 GHEDHM CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506027 598818561 /nfs/dbraw/zinc/81/85/61/598818561.db2.gz OQNMAIGUFOSMAD-HNNXBMFYSA-N -1 3 399.458 3.568 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc2cc(Cl)ccc2o1 ZINC000737807074 599462255 /nfs/dbraw/zinc/46/22/55/599462255.db2.gz NNTUFPNCYIYOJA-ONEGZZNKSA-N -1 3 390.790 3.810 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc2cc(Cl)ccc2o1 ZINC000737807074 599462257 /nfs/dbraw/zinc/46/22/57/599462257.db2.gz NNTUFPNCYIYOJA-ONEGZZNKSA-N -1 3 390.790 3.810 20 30 GHEDHM Fc1ccc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778471 599491975 /nfs/dbraw/zinc/49/19/75/599491975.db2.gz IIKIDEGWWWCZKL-YUMQZZPRSA-N -1 3 383.271 3.573 20 30 GHEDHM Fc1ccc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778471 599491978 /nfs/dbraw/zinc/49/19/78/599491978.db2.gz IIKIDEGWWWCZKL-YUMQZZPRSA-N -1 3 383.271 3.573 20 30 GHEDHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(Cl)c1 ZINC000820832149 599689651 /nfs/dbraw/zinc/68/96/51/599689651.db2.gz HKDOCVGFMXOPRH-BENRWUELSA-N -1 3 378.823 3.824 20 30 GHEDHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(Cl)c1 ZINC000820832149 599689652 /nfs/dbraw/zinc/68/96/52/599689652.db2.gz HKDOCVGFMXOPRH-BENRWUELSA-N -1 3 378.823 3.824 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1OC(F)F ZINC000822924273 607460818 /nfs/dbraw/zinc/46/08/18/607460818.db2.gz ZSCBIESBYRBQDF-UTCJRWHESA-N -1 3 378.285 3.642 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1OC(F)F ZINC000822924273 607460820 /nfs/dbraw/zinc/46/08/20/607460820.db2.gz ZSCBIESBYRBQDF-UTCJRWHESA-N -1 3 378.285 3.642 20 30 GHEDHM Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1ncc(C(F)(F)F)cc1Cl ZINC000822741476 607461792 /nfs/dbraw/zinc/46/17/92/607461792.db2.gz XLIABIKDNDGWFE-UHFFFAOYSA-N -1 3 385.712 3.519 20 30 GHEDHM N#Cc1cccc(-c2csc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000826386931 607769721 /nfs/dbraw/zinc/76/97/21/607769721.db2.gz YTQVRHQJAVHUCR-CMDGGOBGSA-N -1 3 399.439 3.514 20 30 GHEDHM N#Cc1cccc(-c2csc(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000826386931 607769722 /nfs/dbraw/zinc/76/97/22/607769722.db2.gz YTQVRHQJAVHUCR-CMDGGOBGSA-N -1 3 399.439 3.514 20 30 GHEDHM N#Cc1ccc(CN2CCC(Nc3cccc4c3CCN4C(=O)[O-])CC2)cc1 ZINC000833971547 606102618 /nfs/dbraw/zinc/10/26/18/606102618.db2.gz JLXNZPVGXIVHSS-UHFFFAOYSA-N -1 3 376.460 3.675 20 30 GHEDHM C=CCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819734176 606269523 /nfs/dbraw/zinc/26/95/23/606269523.db2.gz JPCVPWDIKZJMBP-UHFFFAOYSA-N -1 3 381.411 3.880 20 30 GHEDHM C=CCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000819734176 606269524 /nfs/dbraw/zinc/26/95/24/606269524.db2.gz JPCVPWDIKZJMBP-UHFFFAOYSA-N -1 3 381.411 3.880 20 30 GHEDHM N#C[C@@H](C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)c1ccccn1 ZINC000822801274 606395541 /nfs/dbraw/zinc/39/55/41/606395541.db2.gz GSWVIBMZPULYBY-QGZVFWFLSA-N -1 3 398.451 3.903 20 30 GHEDHM N#C[C@@H](C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)c1ccccn1 ZINC000822801274 606395542 /nfs/dbraw/zinc/39/55/42/606395542.db2.gz GSWVIBMZPULYBY-QGZVFWFLSA-N -1 3 398.451 3.903 20 30 GHEDHM N#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)s1 ZINC000822823525 606506917 /nfs/dbraw/zinc/50/69/17/606506917.db2.gz SHCSXAQXHCSUBC-UHFFFAOYSA-N -1 3 386.440 3.647 20 30 GHEDHM N#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)s1 ZINC000822823525 606506919 /nfs/dbraw/zinc/50/69/19/606506919.db2.gz SHCSXAQXHCSUBC-UHFFFAOYSA-N -1 3 386.440 3.647 20 30 GHEDHM CCCCCCCCC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821048360 606592410 /nfs/dbraw/zinc/59/24/10/606592410.db2.gz BLSITDKGAIUWDO-UHFFFAOYSA-N -1 3 384.528 3.702 20 30 GHEDHM CCCCCCCCC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821048360 606592412 /nfs/dbraw/zinc/59/24/12/606592412.db2.gz BLSITDKGAIUWDO-UHFFFAOYSA-N -1 3 384.528 3.702 20 30 GHEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821170842 606785820 /nfs/dbraw/zinc/78/58/20/606785820.db2.gz XIDSEMHTWNPOGV-CQSZACIVSA-N -1 3 390.447 3.589 20 30 GHEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821170842 606785821 /nfs/dbraw/zinc/78/58/21/606785821.db2.gz XIDSEMHTWNPOGV-CQSZACIVSA-N -1 3 390.447 3.589 20 30 GHEDHM C=C[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000819730359 606833957 /nfs/dbraw/zinc/83/39/57/606833957.db2.gz XLHGXSDNHLYDFV-GFCCVEGCSA-N -1 3 398.854 3.795 20 30 GHEDHM C=C[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000819730359 606833959 /nfs/dbraw/zinc/83/39/59/606833959.db2.gz XLHGXSDNHLYDFV-GFCCVEGCSA-N -1 3 398.854 3.795 20 30 GHEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)C1 ZINC000820641878 606906970 /nfs/dbraw/zinc/90/69/70/606906970.db2.gz DXUFFTPVDQLQIR-UHFFFAOYSA-N -1 3 392.394 3.676 20 30 GHEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)C1 ZINC000820641878 606906971 /nfs/dbraw/zinc/90/69/71/606906971.db2.gz DXUFFTPVDQLQIR-UHFFFAOYSA-N -1 3 392.394 3.676 20 30 GHEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccccc1C(C)(C)C#N ZINC000821699612 607132294 /nfs/dbraw/zinc/13/22/94/607132294.db2.gz WNRNUOLCRGZUNJ-UHFFFAOYSA-N -1 3 383.839 3.909 20 30 GHEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccccc1C(C)(C)C#N ZINC000821699612 607132297 /nfs/dbraw/zinc/13/22/97/607132297.db2.gz WNRNUOLCRGZUNJ-UHFFFAOYSA-N -1 3 383.839 3.909 20 30 GHEDHM COc1ccc2oc(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)cc2c1 ZINC000826213551 608109742 /nfs/dbraw/zinc/10/97/42/608109742.db2.gz BHBPNGCXWAPDRN-ALCCZGGFSA-N -1 3 389.415 3.574 20 30 GHEDHM COc1ccc2oc(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)cc2c1 ZINC000826213551 608109743 /nfs/dbraw/zinc/10/97/43/608109743.db2.gz BHBPNGCXWAPDRN-ALCCZGGFSA-N -1 3 389.415 3.574 20 30 GHEDHM C=C(C)[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)OCC ZINC000823872547 608328688 /nfs/dbraw/zinc/32/86/88/608328688.db2.gz AWPSZAYAJRNQAH-FQEVSTJZSA-N -1 3 391.475 3.521 20 30 GHEDHM C=C(C)[C@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)OCC ZINC000823872547 608328689 /nfs/dbraw/zinc/32/86/89/608328689.db2.gz AWPSZAYAJRNQAH-FQEVSTJZSA-N -1 3 391.475 3.521 20 30 GHEDHM C=C(C)CN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823877987 608355642 /nfs/dbraw/zinc/35/56/42/608355642.db2.gz LNWHDBKZKYDKIV-UHFFFAOYSA-N -1 3 376.464 3.641 20 30 GHEDHM C=C(C)CN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823877987 608355644 /nfs/dbraw/zinc/35/56/44/608355644.db2.gz LNWHDBKZKYDKIV-UHFFFAOYSA-N -1 3 376.464 3.641 20 30 GHEDHM CC(C)N(CCC#N)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824289115 608586013 /nfs/dbraw/zinc/58/60/13/608586013.db2.gz UJVVMNYKLKOHAT-UHFFFAOYSA-N -1 3 376.464 3.570 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(OC)c(OC)c1Cl ZINC000823914201 608631343 /nfs/dbraw/zinc/63/13/43/608631343.db2.gz DEDYJWDZNWINRU-UHFFFAOYSA-N -1 3 399.882 3.726 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(OC)c(OC)c1Cl ZINC000823914201 608631344 /nfs/dbraw/zinc/63/13/44/608631344.db2.gz DEDYJWDZNWINRU-UHFFFAOYSA-N -1 3 399.882 3.726 20 30 GHEDHM N#CCc1ccccc1CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826382897 609135932 /nfs/dbraw/zinc/13/59/32/609135932.db2.gz ZQUFCKBYRWQAON-UHFFFAOYSA-N -1 3 395.422 3.748 20 30 GHEDHM N#CCc1ccccc1CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382897 609135933 /nfs/dbraw/zinc/13/59/33/609135933.db2.gz ZQUFCKBYRWQAON-UHFFFAOYSA-N -1 3 395.422 3.748 20 30 GHEDHM CCCCCC[C@@H](C)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825270589 609305431 /nfs/dbraw/zinc/30/54/31/609305431.db2.gz ACSFHXZRQUFANQ-OAHLLOKOSA-N -1 3 380.500 3.550 20 30 GHEDHM CCCCCC[C@@H](C)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825270589 609305432 /nfs/dbraw/zinc/30/54/32/609305432.db2.gz ACSFHXZRQUFANQ-OAHLLOKOSA-N -1 3 380.500 3.550 20 30 GHEDHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)s2)o1 ZINC000826273727 609387543 /nfs/dbraw/zinc/38/75/43/609387543.db2.gz RBRDFSUAJYEBBT-UHFFFAOYSA-N -1 3 376.401 3.621 20 30 GHEDHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)s2)o1 ZINC000826273727 609387545 /nfs/dbraw/zinc/38/75/45/609387545.db2.gz RBRDFSUAJYEBBT-UHFFFAOYSA-N -1 3 376.401 3.621 20 30 GHEDHM C=CCOc1cccc(CNc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)c1 ZINC000823932109 609487750 /nfs/dbraw/zinc/48/77/50/609487750.db2.gz ORTPYCXWIXTJAT-UHFFFAOYSA-N -1 3 394.435 3.612 20 30 GHEDHM C=CCOc1cccc(CNc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)c1 ZINC000823932109 609487751 /nfs/dbraw/zinc/48/77/51/609487751.db2.gz ORTPYCXWIXTJAT-UHFFFAOYSA-N -1 3 394.435 3.612 20 30 GHEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C4CC4)cnn3C)n2)cc1 ZINC000659062226 837421049 /nfs/dbraw/zinc/42/10/49/837421049.db2.gz DGWGDXQKBKNGGL-HNNXBMFYSA-N -1 3 378.457 3.920 20 30 GHEDHM CC[C@H](c1ccccc1OC)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000582022826 837775012 /nfs/dbraw/zinc/77/50/12/837775012.db2.gz IPMCDYZWIITOHK-LJQANCHMSA-N -1 3 381.476 3.827 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1 ZINC000186925795 834796779 /nfs/dbraw/zinc/79/67/79/834796779.db2.gz BFRNWTMVXBLGPQ-UHFFFAOYSA-N -1 3 399.255 3.827 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000130265450 835011229 /nfs/dbraw/zinc/01/12/29/835011229.db2.gz SCXOOWJHNASCRN-NSHDSACASA-N -1 3 380.516 3.656 20 30 GHEDHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000500795183 844019117 /nfs/dbraw/zinc/01/91/17/844019117.db2.gz NBQFSCZGFBJXLL-UHFFFAOYSA-N -1 3 384.288 3.727 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2)n1 ZINC000188386032 835834492 /nfs/dbraw/zinc/83/44/92/835834492.db2.gz RYFFTIMXQJWBMZ-UHFFFAOYSA-N -1 3 384.439 3.541 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000657127471 844113042 /nfs/dbraw/zinc/11/30/42/844113042.db2.gz HSMRGVKLCVKAEW-UHFFFAOYSA-N -1 3 394.718 3.506 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC(C)(C)C#N ZINC000180132399 838517325 /nfs/dbraw/zinc/51/73/25/838517325.db2.gz FFBSZCDHEAJKPH-UHFFFAOYSA-N -1 3 390.436 3.642 20 30 GHEDHM C=CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000472699052 839189281 /nfs/dbraw/zinc/18/92/81/839189281.db2.gz NSGOAGYTSUNNRR-UHFFFAOYSA-N -1 3 376.453 3.713 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000728289869 839214141 /nfs/dbraw/zinc/21/41/41/839214141.db2.gz VHQULQMLECVGED-JTQLQIEISA-N -1 3 382.391 3.643 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNCc2ncc(Br)cc2[O-])c1 ZINC000892973909 839771309 /nfs/dbraw/zinc/77/13/09/839771309.db2.gz YIKJQMTYRONQAF-CQSZACIVSA-N -1 3 376.254 3.520 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000581402024 841265627 /nfs/dbraw/zinc/26/56/27/841265627.db2.gz OAJJYPKCCSUUGN-UHFFFAOYSA-N -1 3 390.424 3.726 20 30 GHEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)c(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000511943016 842509847 /nfs/dbraw/zinc/50/98/47/842509847.db2.gz MVAAKCGUIKWYCV-LBPRGKRZSA-N -1 3 389.209 3.563 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000128686292 843554418 /nfs/dbraw/zinc/55/44/18/843554418.db2.gz FKTQAKKQPVLNTM-MRXNPFEDSA-N -1 3 389.367 3.718 20 30 GHEDHM N#CCn1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc2ccccc21 ZINC000610714631 843654349 /nfs/dbraw/zinc/65/43/49/843654349.db2.gz AZKCRBZNFPIFED-UHFFFAOYSA-N -1 3 377.354 3.507 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C ZINC000183873484 847468847 /nfs/dbraw/zinc/46/88/47/847468847.db2.gz WMMOQKCCIKJDRJ-FDDCHVKYSA-N -1 3 391.515 3.872 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000183906703 847536475 /nfs/dbraw/zinc/53/64/75/847536475.db2.gz IOVPNEARYCKSOW-JLCFBVMHSA-N -1 3 377.488 3.626 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(SC(F)F)cc1 ZINC000044542664 849695818 /nfs/dbraw/zinc/69/58/18/849695818.db2.gz YLLXOMDMWCIONZ-UHFFFAOYSA-N -1 3 392.427 3.854 20 30 GHEDHM N#CC(=C([O-])c1cnnn1-c1cccc(F)c1)c1nc2ccccc2n1C(F)F ZINC000434618992 851358095 /nfs/dbraw/zinc/35/80/95/851358095.db2.gz BKKQKJSNCVKOQZ-ZDUSSCGKSA-N -1 3 396.332 3.641 20 30 GHEDHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)cc2s1 ZINC000427306884 852966854 /nfs/dbraw/zinc/96/68/54/852966854.db2.gz DGJKESDJKZKWOB-UHFFFAOYSA-N -1 3 378.866 3.634 20 30 GHEDHM N#Cc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(F)c1 ZINC000054829649 853567517 /nfs/dbraw/zinc/56/75/17/853567517.db2.gz ALTRTOLETFKQFY-UHFFFAOYSA-N -1 3 377.404 3.824 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000055868275 854198369 /nfs/dbraw/zinc/19/83/69/854198369.db2.gz IGNLQDVMFCYZQC-KRWDZBQOSA-N -1 3 391.393 3.606 20 30 GHEDHM C=CC[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000188496593 854720166 /nfs/dbraw/zinc/72/01/66/854720166.db2.gz HFRQZFTZRRTKOD-QGZVFWFLSA-N -1 3 388.489 3.755 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000055778757 855391959 /nfs/dbraw/zinc/39/19/59/855391959.db2.gz MAPIBAQLUJNZBT-IBGZPJMESA-N -1 3 383.879 3.813 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000302688136 855908504 /nfs/dbraw/zinc/90/85/04/855908504.db2.gz MKZTZUMFOMRLPL-OAQYLSRUSA-N -1 3 375.428 3.707 20 30 GHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc2ccccc2n1 ZINC000672579992 857495801 /nfs/dbraw/zinc/49/58/01/857495801.db2.gz LZHUSMMOIVZNEU-OAHLLOKOSA-N -1 3 382.379 3.844 20 30 GHEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151527133 857668288 /nfs/dbraw/zinc/66/82/88/857668288.db2.gz GUGRYQJKARRDDP-UHFFFAOYSA-N -1 3 389.249 3.500 20 30 GHEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1C#N ZINC000442834327 858172696 /nfs/dbraw/zinc/17/26/96/858172696.db2.gz JWPTZSGZTVQTRQ-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000046690601 858326262 /nfs/dbraw/zinc/32/62/62/858326262.db2.gz ZNIBCPHKDGHLSS-QFIPXVFZSA-N -1 3 377.488 3.844 20 30 GHEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cccc(Cl)c3C#N)o2)cs1 ZINC000443097838 858376712 /nfs/dbraw/zinc/37/67/12/858376712.db2.gz ZJUKGTLIICDLLN-UHFFFAOYSA-N -1 3 393.877 3.715 20 30 GHEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(Cl)cc(C#N)cc3Cl)nc21 ZINC000611245441 859665787 /nfs/dbraw/zinc/66/57/87/859665787.db2.gz NIWMYEDLTLXYRP-UHFFFAOYSA-N -1 3 389.198 3.780 20 30 GHEDHM N#Cc1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000727058163 859911322 /nfs/dbraw/zinc/91/13/22/859911322.db2.gz JOKGBGDLBADGAQ-UHFFFAOYSA-N -1 3 376.441 3.805 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000730417586 861101080 /nfs/dbraw/zinc/10/10/80/861101080.db2.gz QKZFKCFHRWRMIK-OAHLLOKOSA-N -1 3 394.431 3.834 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920111947 881661066 /nfs/dbraw/zinc/66/10/66/881661066.db2.gz SHHBLZPENRIFIC-GFCCVEGCSA-N -1 3 390.182 3.801 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC(F)(F)c2ccc(Br)cc2)c1[O-] ZINC000856718456 881685204 /nfs/dbraw/zinc/68/52/04/881685204.db2.gz LPYHEWCDAUMTKZ-SCDVKCJHSA-N -1 3 385.208 3.561 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920108954 881688483 /nfs/dbraw/zinc/68/84/83/881688483.db2.gz BPPQVKIYHJDHTD-JTQLQIEISA-N -1 3 390.182 3.801 20 30 GHEDHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000480230678 864314720 /nfs/dbraw/zinc/31/47/20/864314720.db2.gz RAKDXHLCBFHBOV-UHFFFAOYSA-N -1 3 398.426 3.668 20 30 GHEDHM CCc1nn(C)c(Cl)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000734746100 864419059 /nfs/dbraw/zinc/41/90/59/864419059.db2.gz VODIFPGGFLEGBD-UHFFFAOYSA-N -1 3 392.941 3.691 20 30 GHEDHM Cc1ncc(CO)c(/C=N\C2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1[O-] ZINC000920174773 881883061 /nfs/dbraw/zinc/88/30/61/881883061.db2.gz PVFUZJIMFXAOMF-QFEZKATASA-N -1 3 381.520 3.973 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnccc1Oc1ccccc1 ZINC000195286183 881947393 /nfs/dbraw/zinc/94/73/93/881947393.db2.gz MEWSECGJRLCCLK-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000456752579 867096812 /nfs/dbraw/zinc/09/68/12/867096812.db2.gz CKGWKKIGCCBRCX-UHFFFAOYSA-N -1 3 395.478 3.974 20 30 GHEDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccccc3OCC#N)nc(=O)c2c1C ZINC000920633808 882245286 /nfs/dbraw/zinc/24/52/86/882245286.db2.gz KMUSIIBUQHIADY-NSHDSACASA-N -1 3 383.429 3.834 20 30 GHEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC000443096559 869413189 /nfs/dbraw/zinc/41/31/89/869413189.db2.gz VQSCERMOTFMNEZ-QGZVFWFLSA-N -1 3 393.852 3.795 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Oc3ccccc3)ccn2)cc1 ZINC000745947493 869899109 /nfs/dbraw/zinc/89/91/09/869899109.db2.gz BCEOZCFMRJCLRM-IBGZPJMESA-N -1 3 387.395 3.844 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001192468230 870388248 /nfs/dbraw/zinc/38/82/48/870388248.db2.gz KSYWGEHPZBKEID-GXFFZTMASA-N -1 3 393.734 3.911 20 30 GHEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193161695 870928046 /nfs/dbraw/zinc/92/80/46/870928046.db2.gz CRXMPSSFXCBRHJ-LLVKDONJSA-N -1 3 377.238 3.606 20 30 GHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)c2cccc(C#N)c2)[nH][n-]1 ZINC000462020243 871471440 /nfs/dbraw/zinc/47/14/40/871471440.db2.gz JXPWXHIGDLNTIW-LBPRGKRZSA-N -1 3 380.835 3.774 20 30 GHEDHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(C(C)(C)C#N)cc1)c2=O ZINC000539221883 871535443 /nfs/dbraw/zinc/53/54/43/871535443.db2.gz SUKTYTJNNHEBHB-UHFFFAOYSA-N -1 3 379.391 3.729 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc2c(Cl)nccc21)c1ccc(F)cc1 ZINC001194511749 871760367 /nfs/dbraw/zinc/76/03/67/871760367.db2.gz MWRVCLYLUOVHQA-OAHLLOKOSA-N -1 3 375.812 3.570 20 30 GHEDHM CC(C)(Cc1ccc(C#N)cc1)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001195114306 872178800 /nfs/dbraw/zinc/17/88/00/872178800.db2.gz AJFQQJHGVDOHIW-UHFFFAOYSA-N -1 3 397.525 3.981 20 30 GHEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000130139090 872804198 /nfs/dbraw/zinc/80/41/98/872804198.db2.gz LYYDIKKUZJWWTR-LBPRGKRZSA-N -1 3 375.743 3.657 20 30 GHEDHM N#Cc1cc(NC(=O)c2nc(-c3ccccc3)ncc2Br)ccc1[O-] ZINC001196257530 872974898 /nfs/dbraw/zinc/97/48/98/872974898.db2.gz FVCLIMMOXXUQGF-UHFFFAOYSA-N -1 3 395.216 3.736 20 30 GHEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000102858582 873725431 /nfs/dbraw/zinc/72/54/31/873725431.db2.gz XUWHEQKUEJRTLV-UHFFFAOYSA-N -1 3 399.450 3.604 20 30 GHEDHM CC(C)(C)CN(CCC#N)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000541574971 873891438 /nfs/dbraw/zinc/89/14/38/873891438.db2.gz QFJSMODUJVLCIX-UHFFFAOYSA-N -1 3 395.381 3.829 20 30 GHEDHM Cc1ccc(Nc2cccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2)nn1 ZINC000464476698 873963690 /nfs/dbraw/zinc/96/36/90/873963690.db2.gz QLRCAYNPNVHSFN-MRXNPFEDSA-N -1 3 397.360 3.854 20 30 GHEDHM Cc1cc(-c2cncc(Cl)n2)ccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001197778386 874041445 /nfs/dbraw/zinc/04/14/45/874041445.db2.gz POKVQYXPCVECPW-UHFFFAOYSA-N -1 3 381.823 3.545 20 30 GHEDHM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000769946351 874359142 /nfs/dbraw/zinc/35/91/42/874359142.db2.gz RVBNXMMFHUNWTD-AWEZNQCLSA-N -1 3 388.855 3.867 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1cccc(C(F)(F)F)c1 ZINC000770729982 874836947 /nfs/dbraw/zinc/83/69/47/874836947.db2.gz PAIRHIFBDWEQTL-MRXNPFEDSA-N -1 3 391.374 3.797 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(NC(C)=O)c2)cc1 ZINC000528920126 875272637 /nfs/dbraw/zinc/27/26/37/875272637.db2.gz RDYCBDXEUVXGSI-FZKQIMNGSA-N -1 3 378.432 3.515 20 30 GHEDHM N#CCCSc1ccc(C(F)(F)F)cc1[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000449848120 875513930 /nfs/dbraw/zinc/51/39/30/875513930.db2.gz DJPKJPQUDKRSDR-UHFFFAOYSA-N -1 3 395.410 3.965 20 30 GHEDHM COc1c([O-])c(/C=C2\SC(=Nc3cc(C)ccc3C)NC2=O)ccc1[N+](=O)[O-] ZINC000772176180 875733308 /nfs/dbraw/zinc/73/33/08/875733308.db2.gz JYIRHDGUMIIIJA-DHDCSXOGSA-N -1 3 399.428 3.817 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000776278717 876161679 /nfs/dbraw/zinc/16/16/79/876161679.db2.gz FQRWQMLLIXDGDD-FQEVSTJZSA-N -1 3 390.370 3.940 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)c1 ZINC000776280501 876168786 /nfs/dbraw/zinc/16/87/86/876168786.db2.gz RUPRMFFGMIKEKR-UHFFFAOYSA-N -1 3 398.418 3.884 20 30 GHEDHM N#Cc1ccc(-c2nnc(COC(=O)c3cc4sccc4c([O-])c3)o2)cc1 ZINC000786131839 876498693 /nfs/dbraw/zinc/49/86/93/876498693.db2.gz RNTWGURNYIVNRQ-UHFFFAOYSA-N -1 3 377.381 3.886 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000529694594 876532575 /nfs/dbraw/zinc/53/25/75/876532575.db2.gz ZJVYIGXEEAKQFP-UHFFFAOYSA-N -1 3 394.500 3.870 20 30 GHEDHM COC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c(Br)c1 ZINC000789130292 878614783 /nfs/dbraw/zinc/61/47/83/878614783.db2.gz NFDNRPBXNVOAIV-FNORWQNLSA-N -1 3 391.217 3.846 20 30 GHEDHM C=CCCC1(CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCC1 ZINC000617416168 879698480 /nfs/dbraw/zinc/69/84/80/879698480.db2.gz DJGFSHNBEVQOHC-UHFFFAOYSA-N -1 3 394.519 3.716 20 30 GHEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000112222707 879798320 /nfs/dbraw/zinc/79/83/20/879798320.db2.gz HSIGKSPMSXWJSJ-OAHLLOKOSA-N -1 3 396.809 3.934 20 30 GHEDHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3ccc(C#N)cc3)[n-]c(=O)c21 ZINC000609813802 883715444 /nfs/dbraw/zinc/71/54/44/883715444.db2.gz SVVIBRFBYXMMCA-LLVKDONJSA-N -1 3 380.429 3.550 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(F)c1 ZINC000475807059 884067089 /nfs/dbraw/zinc/06/70/89/884067089.db2.gz LRDCPURZAXVGHA-UHFFFAOYSA-N -1 3 390.436 3.648 20 30 GHEDHM N#CC(=C([O-])C=Cc1csc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000860484160 884727010 /nfs/dbraw/zinc/72/70/10/884727010.db2.gz XSYZJCLEWISMKS-FJOGCWAESA-N -1 3 380.395 3.974 20 30 GHEDHM CCO[C@@H](c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)c1ccccc1 ZINC000351010165 885181123 /nfs/dbraw/zinc/18/11/23/885181123.db2.gz XUSVVSPYAHJREV-LJQANCHMSA-N -1 3 378.432 3.570 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(-c2ccc(F)cc2)no1 ZINC000915380815 886469103 /nfs/dbraw/zinc/46/91/03/886469103.db2.gz GNOFQNFPPKOWJI-UHFFFAOYSA-N -1 3 395.390 3.746 20 30 GHEDHM COCCC[C@@H](C/N=C\c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000794682456 887754955 /nfs/dbraw/zinc/75/49/55/887754955.db2.gz VNQKSWFREDRCTL-BDQMVGTNSA-N -1 3 376.884 3.871 20 30 GHEDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C#N)c(Cl)cc1Cl ZINC000916073478 888700132 /nfs/dbraw/zinc/70/01/32/888700132.db2.gz DCXDMNOHXGYOCH-UWVGGRQHSA-N -1 3 393.292 3.529 20 30 GHEDHM CCOc1cc(C=NNC(=S)Nc2cccc(OC)c2)cc(Cl)c1[O-] ZINC000916298415 888899406 /nfs/dbraw/zinc/89/94/06/888899406.db2.gz KLJFPSIDCQXZDU-UHFFFAOYSA-N -1 3 379.869 3.773 20 30 GHEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c(C)n1C1CC1 ZINC000916320750 888922124 /nfs/dbraw/zinc/92/21/24/888922124.db2.gz ISRVJKZXSYMXCE-SFHVURJKSA-N -1 3 395.488 3.715 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3)oc2C)c1 ZINC000916894048 890329193 /nfs/dbraw/zinc/32/91/93/890329193.db2.gz KVWIYVJVRGXJCJ-QGZVFWFLSA-N -1 3 375.384 3.620 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1 ZINC000916898959 890342481 /nfs/dbraw/zinc/34/24/81/890342481.db2.gz HBCIVFUWIYZBBY-MRXNPFEDSA-N -1 3 395.415 3.689 20 30 GHEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)s1 ZINC000916942377 890576293 /nfs/dbraw/zinc/57/62/93/890576293.db2.gz KHXPYYOUBSPGSX-HNNXBMFYSA-N -1 3 399.472 3.542 20 30 GHEDHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000288203437 913690938 /nfs/dbraw/zinc/69/09/38/913690938.db2.gz CQWVTKRNGQOMAB-HXUWFJFHSA-N -1 3 381.476 3.827 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(Cl)c2)c1 ZINC000125635662 892844200 /nfs/dbraw/zinc/84/42/00/892844200.db2.gz XJDDGRDLWSWALA-UHFFFAOYSA-N -1 3 393.921 3.566 20 30 GHEDHM CC(C)(C)OC(=O)NC(=CNNc1ccc(C(=O)[O-])cc1)CC(F)(F)F ZINC000814680805 893064910 /nfs/dbraw/zinc/06/49/10/893064910.db2.gz JASKMQAUOKDCMA-GFCCVEGCSA-N -1 3 375.347 3.628 20 30 GHEDHM N#C[C@@H]1N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCC[C@]12CCCCO2 ZINC000556092617 893703895 /nfs/dbraw/zinc/70/38/95/893703895.db2.gz IOTHPXFJZUQFQC-HRAATJIYSA-N -1 3 378.432 3.509 20 30 GHEDHM COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2)c1 ZINC001136011638 895905514 /nfs/dbraw/zinc/90/55/14/895905514.db2.gz QRZKYDZBLMCBIE-UHFFFAOYSA-N -1 3 387.391 3.537 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(F)cc(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826234059 896573370 /nfs/dbraw/zinc/57/33/70/896573370.db2.gz GWPSHQGBYLDBHZ-FARCUNLSSA-N -1 3 392.369 3.535 20 30 GHEDHM Cc1ncc(C#N)cc1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185930546 914211069 /nfs/dbraw/zinc/21/10/69/914211069.db2.gz VIZGWRSHDSRSDZ-UHFFFAOYSA-N -1 3 394.475 3.676 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)ccc1-c1nnn[n-]1 ZINC000822822898 898655423 /nfs/dbraw/zinc/65/54/23/898655423.db2.gz HGNGDBYBVKNFJE-UHFFFAOYSA-N -1 3 399.241 3.715 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)ccc1-c1nn[n-]n1 ZINC000822822898 898655428 /nfs/dbraw/zinc/65/54/28/898655428.db2.gz HGNGDBYBVKNFJE-UHFFFAOYSA-N -1 3 399.241 3.715 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2ccc(OC(F)(F)F)cc21 ZINC000823503067 899068807 /nfs/dbraw/zinc/06/88/07/899068807.db2.gz AUDOERBSRLRGDH-RUDMXATFSA-N -1 3 378.335 3.649 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2ccc(OC(F)(F)F)cc21 ZINC000823503067 899068823 /nfs/dbraw/zinc/06/88/23/899068823.db2.gz AUDOERBSRLRGDH-RUDMXATFSA-N -1 3 378.335 3.649 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823894489 899309526 /nfs/dbraw/zinc/30/95/26/899309526.db2.gz RJGVIHZPIQQRQB-CQSZACIVSA-N -1 3 381.436 3.513 20 30 GHEDHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824522390 899656585 /nfs/dbraw/zinc/65/65/85/899656585.db2.gz RTRVJZMRDGCJMT-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824522390 899656588 /nfs/dbraw/zinc/65/65/88/899656588.db2.gz RTRVJZMRDGCJMT-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401317 899722656 /nfs/dbraw/zinc/72/26/56/899722656.db2.gz VKLHBFKGXMOMLR-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401317 899722663 /nfs/dbraw/zinc/72/26/63/899722663.db2.gz VKLHBFKGXMOMLR-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1cscn1 ZINC000826401064 899757604 /nfs/dbraw/zinc/75/76/04/899757604.db2.gz OTDHOVXFXZMORC-BQYQJAHWSA-N -1 3 389.440 3.798 20 30 GHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1cscn1 ZINC000826401064 899757613 /nfs/dbraw/zinc/75/76/13/899757613.db2.gz OTDHOVXFXZMORC-BQYQJAHWSA-N -1 3 389.440 3.798 20 30 GHEDHM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400490 899771594 /nfs/dbraw/zinc/77/15/94/899771594.db2.gz ADFCVVDANZGWQE-DAXSKMNVSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400490 899771606 /nfs/dbraw/zinc/77/16/06/899771606.db2.gz ADFCVVDANZGWQE-DAXSKMNVSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403068 899827153 /nfs/dbraw/zinc/82/71/53/899827153.db2.gz JDCQZUZNPIVQSK-RJRFIUFISA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403068 899827159 /nfs/dbraw/zinc/82/71/59/899827159.db2.gz JDCQZUZNPIVQSK-RJRFIUFISA-N -1 3 379.214 3.726 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])COc1ccc(Br)cc1 ZINC000845837485 902448718 /nfs/dbraw/zinc/44/87/18/902448718.db2.gz QCVAGRBQLCCXSX-KRWDZBQOSA-N -1 3 398.256 3.838 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])COc1cccc(Br)c1 ZINC000845837579 902450287 /nfs/dbraw/zinc/45/02/87/902450287.db2.gz QKDWWNDKEYFUKE-QGZVFWFLSA-N -1 3 398.256 3.838 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000845842498 902459448 /nfs/dbraw/zinc/45/94/48/902459448.db2.gz UHHRKVHZUIQMED-GUDVDZBRSA-N -1 3 387.435 3.571 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccccc2OC(F)F)c(C)c1[O-] ZINC001148707244 904185305 /nfs/dbraw/zinc/18/53/05/904185305.db2.gz OFJNWKMRELMHEJ-UHFFFAOYSA-N -1 3 390.342 3.603 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(OCc2ccccc2)cc1OC(F)(F)F ZINC001171369590 904367172 /nfs/dbraw/zinc/36/71/72/904367172.db2.gz VOIIBHURVHUVCF-SJCJKPOMSA-N -1 3 396.365 3.812 20 30 GHEDHM CC(C)(C)n1cc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2OC3)nn1 ZINC000579205001 904429404 /nfs/dbraw/zinc/42/94/04/904429404.db2.gz PLVFQVOMBYDAIA-UHFFFAOYSA-N -1 3 379.445 3.778 20 30 GHEDHM C=CCCC1(CNC(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)CCCC1 ZINC000628047642 905911304 /nfs/dbraw/zinc/91/13/04/905911304.db2.gz XETZKZDOWGXRGU-UHFFFAOYSA-N -1 3 384.476 3.802 20 30 GHEDHM Cc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OC(C)(C)C)c1 ZINC000176847978 905958852 /nfs/dbraw/zinc/95/88/52/905958852.db2.gz KLGLLXRTUKQJLX-UHFFFAOYSA-N -1 3 395.503 3.598 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181384092 906987603 /nfs/dbraw/zinc/98/76/03/906987603.db2.gz JGDSSHZNBXIYDN-UHFFFAOYSA-N -1 3 395.793 3.690 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000266865897 909324272 /nfs/dbraw/zinc/32/42/72/909324272.db2.gz IOPQQUZABXXNST-HKUYNNGSSA-N -1 3 377.488 3.688 20 30 GHEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000775113475 915199935 /nfs/dbraw/zinc/19/99/35/915199935.db2.gz JNQCXJBFPSQSMP-NSHDSACASA-N -1 3 385.445 3.892 20 30 GHEDHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cc1 ZINC001187468925 915280615 /nfs/dbraw/zinc/28/06/15/915280615.db2.gz LYUDHTCNOVPUTF-UHFFFAOYSA-N -1 3 390.436 3.644 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccoc2C(F)(F)F)c(C)c1[O-] ZINC001187721876 915478347 /nfs/dbraw/zinc/47/83/47/915478347.db2.gz YEMKTYVTXMJCDZ-UHFFFAOYSA-N -1 3 382.294 3.613 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1ccccc1NC(=O)c1cnccn1 ZINC001188018008 915709882 /nfs/dbraw/zinc/70/98/82/915709882.db2.gz PKHUYLVJVFZROD-UHFFFAOYSA-N -1 3 390.509 3.831 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1c(C)n(C)n(-c2ccccc2)c1=O ZINC001188019783 915711203 /nfs/dbraw/zinc/71/12/03/915711203.db2.gz FJIFVJSTNSLGJU-UHFFFAOYSA-N -1 3 379.526 3.587 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)c1 ZINC001190616462 917423049 /nfs/dbraw/zinc/42/30/49/917423049.db2.gz QXTCAJBDFKATCN-UHFFFAOYSA-N -1 3 379.722 3.565 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2N2CCCCCC2)c1 ZINC001190661539 917450997 /nfs/dbraw/zinc/45/09/97/917450997.db2.gz XSUINSRGJDXDEE-UHFFFAOYSA-N -1 3 387.480 3.556 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC001190681278 917509128 /nfs/dbraw/zinc/50/91/28/917509128.db2.gz IXBFCVPDHBNQIL-INIZCTEOSA-N -1 3 378.856 3.823 20 30 GHEDHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)c1 ZINC001191304466 917906762 /nfs/dbraw/zinc/90/67/62/917906762.db2.gz FDQBVCGSACYBQA-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM COc1ccc2cc(S(=O)(=O)[N-]c3cc(F)c(F)c(C#N)c3F)ccc2c1 ZINC001191972636 918346011 /nfs/dbraw/zinc/34/60/11/918346011.db2.gz VHZSPJOTHDSHLF-UHFFFAOYSA-N -1 3 392.358 3.938 20 30 GHEDHM O=C([C@H]1CN(Cc2ccccc2)CCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096693 919839272 /nfs/dbraw/zinc/83/92/72/919839272.db2.gz MMXPYVMVGVOLAK-GOSISDBHSA-N -1 3 395.286 3.612 20 30 GHEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3cc(Cn4cccn4)on3)sc2[C@@H](C)C1 ZINC000298004818 920070062 /nfs/dbraw/zinc/07/00/62/920070062.db2.gz YZQRIVGOMWZVRQ-RYUDHWBXSA-N -1 3 381.461 3.791 20 30 GHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cc(Cn4cccn4)on3)sc2[C@H](C)C1 ZINC000298004821 920070786 /nfs/dbraw/zinc/07/07/86/920070786.db2.gz YZQRIVGOMWZVRQ-VXGBXAGGSA-N -1 3 381.461 3.791 20 30 GHEDHM Cc1ccc(CCC(=O)NCC(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC000901369673 921047103 /nfs/dbraw/zinc/04/71/03/921047103.db2.gz DSBRAWUHDLBMRW-UHFFFAOYSA-N -1 3 376.456 3.615 20 30 GHEDHM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375533 921053042 /nfs/dbraw/zinc/05/30/42/921053042.db2.gz JTBCZPSXLAZMCP-SNVBAGLBSA-N -1 3 385.222 3.669 20 30 GHEDHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375511 921053249 /nfs/dbraw/zinc/05/32/49/921053249.db2.gz JIVWBNNVOXBQAQ-UHFFFAOYSA-N -1 3 392.434 3.989 20 30 GHEDHM CCS(=O)(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000901377863 921055226 /nfs/dbraw/zinc/05/52/26/921055226.db2.gz ANSPWNQSPCKNER-UHFFFAOYSA-N -1 3 388.272 3.819 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000370869878 924336152 /nfs/dbraw/zinc/33/61/52/924336152.db2.gz KLOYNPGPEQZFEO-UHFFFAOYSA-N -1 3 399.535 3.795 20 30 GHEDHM CCOCCCn1c(=O)c2ccccc2nc1NN=C(C)c1cc(F)ccc1[O-] ZINC000725844621 926465315 /nfs/dbraw/zinc/46/53/15/926465315.db2.gz XPFPUZVHEXEQDO-UHFFFAOYSA-N -1 3 398.438 3.504 20 30 GHEDHM CCOC(=O)c1sc(C/N=C/c2cc(Br)ccc2[O-])nc1C ZINC000749929384 927353895 /nfs/dbraw/zinc/35/38/95/927353895.db2.gz CCWKJWSNBRDDHA-REZTVBANSA-N -1 3 383.267 3.715 20 30 GHEDHM C[C@@H]1[C@H](/N=C/c2cc(Br)ccc2[O-])CC(=O)N1Cc1ccccc1 ZINC000798343632 932606426 /nfs/dbraw/zinc/60/64/26/932606426.db2.gz MPXWVXYDAABGCD-MBHQQJFWSA-N -1 3 387.277 3.763 20 30 GHEDHM C[C@H]1CCc2nc([N-]C(=O)c3scnc3Br)c(C#N)cc2C1 ZINC001121265870 934606990 /nfs/dbraw/zinc/60/69/90/934606990.db2.gz BQUQDDCRRDPWCX-QMMMGPOBSA-N -1 3 377.267 3.549 20 30 GHEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 ZINC001121546246 934692699 /nfs/dbraw/zinc/69/26/99/934692699.db2.gz PHWCYVGTMFCEGH-UHFFFAOYSA-N -1 3 390.447 3.690 20 30 GHEDHM N#CC(=C([O-])c1ccc(F)c(Br)c1)c1nc(N)c2ccccc2n1 ZINC001122407102 934863662 /nfs/dbraw/zinc/86/36/62/934863662.db2.gz UYIOJIGDRHBDKW-NSHDSACASA-N -1 3 385.196 3.604 20 30 GHEDHM C#C[C@](C)(CC)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001573279280 946635155 /nfs/dbraw/zinc/63/51/55/946635155.db2.gz FAAGJSJZXDUISS-HXUWFJFHSA-N -1 3 395.850 3.844 20 30 GHEDHM C#C[C@](C)(CC)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001573279280 946635161 /nfs/dbraw/zinc/63/51/61/946635161.db2.gz FAAGJSJZXDUISS-HXUWFJFHSA-N -1 3 395.850 3.844 20 30 GHEDHM C#CCN(Cc1ccccc1)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001573283492 946716403 /nfs/dbraw/zinc/71/64/03/946716403.db2.gz SKCYRMOHRKGVJE-UHFFFAOYSA-N -1 3 393.454 3.616 20 30 GHEDHM C#CCN(Cc1ccccc1)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001573283492 946716416 /nfs/dbraw/zinc/71/64/16/946716416.db2.gz SKCYRMOHRKGVJE-UHFFFAOYSA-N -1 3 393.454 3.616 20 30 GHEDHM C=C(C)c1cccc(NC(=O)[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC001573295933 947030788 /nfs/dbraw/zinc/03/07/88/947030788.db2.gz WCDPOPYRTMGZET-INIZCTEOSA-N -1 3 392.438 3.504 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001573335998 947495510 /nfs/dbraw/zinc/49/55/10/947495510.db2.gz YKAKGUUPJRCZBD-MRXNPFEDSA-N -1 3 391.475 3.920 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001573335998 947495520 /nfs/dbraw/zinc/49/55/20/947495520.db2.gz YKAKGUUPJRCZBD-MRXNPFEDSA-N -1 3 391.475 3.920 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)C1CCCC1 ZINC001573341113 947527895 /nfs/dbraw/zinc/52/78/95/947527895.db2.gz HOEGYZZHOQCHGM-UHFFFAOYSA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)C1CCCC1 ZINC001573341113 947527907 /nfs/dbraw/zinc/52/79/07/947527907.db2.gz HOEGYZZHOQCHGM-UHFFFAOYSA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001573341666 947532282 /nfs/dbraw/zinc/53/22/82/947532282.db2.gz OPYZFOXSHZXDNG-UHFFFAOYSA-N -1 3 396.520 3.740 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001573341666 947532294 /nfs/dbraw/zinc/53/22/94/947532294.db2.gz OPYZFOXSHZXDNG-UHFFFAOYSA-N -1 3 396.520 3.740 20 30 GHEDHM C[C@H](C#N)Oc1ccc(CN2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001589336180 986220173 /nfs/dbraw/zinc/22/01/73/986220173.db2.gz XFDGXAHOEHFVIT-MRXNPFEDSA-N -1 3 379.460 3.752 20 30 GHEDHM COC(=O)[C@@H](Oc1ccccc1N=CC=Nc1ccccc1[O-])C(F)(F)F ZINC001228124422 1032797411 /nfs/dbraw/zinc/79/74/11/1032797411.db2.gz KHTDWCYUBCMAFU-MRXNPFEDSA-N -1 3 380.322 3.980 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)cc1 ZINC000158757945 1020027311 /nfs/dbraw/zinc/02/73/11/1020027311.db2.gz LLNQJGIGEXTYRW-YJBOKZPZSA-N -1 3 381.480 3.799 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(OCc3ccccc3)ccn2)c1 ZINC000779197319 1020502657 /nfs/dbraw/zinc/50/26/57/1020502657.db2.gz QGMVRVHCAKTITI-HXUWFJFHSA-N -1 3 385.423 3.930 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2ccc(Cl)nc2)cc1 ZINC000748787568 1021719869 /nfs/dbraw/zinc/71/98/69/1021719869.db2.gz ACCBFAYGZCWUAP-UHFFFAOYSA-N -1 3 386.864 3.982 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000835060340 1021833162 /nfs/dbraw/zinc/83/31/62/1021833162.db2.gz KMCNCJRAJCRCAT-HNNXBMFYSA-N -1 3 398.850 3.681 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3cnn(C)c3)o2)cc1 ZINC000835062352 1021840364 /nfs/dbraw/zinc/84/03/64/1021840364.db2.gz ODJREFWNAHENOV-GOSISDBHSA-N -1 3 390.443 3.984 20 30 GHEDHM C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cccc([O-])c1Br)C2 ZINC001140550332 1021951804 /nfs/dbraw/zinc/95/18/04/1021951804.db2.gz QQYZIHCNIKEXMK-PKOBYXMFSA-N -1 3 396.325 3.728 20 30 GHEDHM N#Cc1cnc2ccccc2c1N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001204757615 1033069960 /nfs/dbraw/zinc/06/99/60/1033069960.db2.gz XRKZVNGRRYPKAL-UHFFFAOYSA-N -1 3 378.863 3.788 20 30 GHEDHM Fc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1Cl ZINC000755541124 1023288064 /nfs/dbraw/zinc/28/80/64/1023288064.db2.gz DJNLTNHSWLALCP-OAHLLOKOSA-N -1 3 390.827 3.754 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCOC[C@@H]2c2ccc(Cl)cc2)n1 ZINC001156713278 1033200135 /nfs/dbraw/zinc/20/01/35/1033200135.db2.gz FEODTYMBYDRFMU-KMDAILJESA-N -1 3 399.303 3.891 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)c2)cc1 ZINC001141301781 1024464461 /nfs/dbraw/zinc/46/44/61/1024464461.db2.gz AYRFNSQMFXCRPW-UHFFFAOYSA-N -1 3 384.395 3.971 20 30 GHEDHM COC(=O)[C@@H](C)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001163765845 1026309722 /nfs/dbraw/zinc/30/97/22/1026309722.db2.gz LIYHPCPTQNPPIA-JTQLQIEISA-N -1 3 383.326 3.505 20 30 GHEDHM N#CCc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001163768728 1026310156 /nfs/dbraw/zinc/31/01/56/1026310156.db2.gz AUBPWMRPRYGUJK-UHFFFAOYSA-N -1 3 380.282 3.807 20 30 GHEDHM COc1ccnc2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cnc21 ZINC001163769900 1026311340 /nfs/dbraw/zinc/31/13/40/1026311340.db2.gz CKZDVFQKPHNTGL-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC3(CC(OCC4CC4)C3)CC2)n1 ZINC001166373084 1026988912 /nfs/dbraw/zinc/98/89/12/1026988912.db2.gz PXLIGZCAIMYNAX-KEBDBYFISA-N -1 3 396.944 3.836 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2oc3ccccc3c2Br)cc1 ZINC001209928508 1027279543 /nfs/dbraw/zinc/27/95/43/1027279543.db2.gz WQOKFSLFEDCZDS-UHFFFAOYSA-N -1 3 391.246 3.545 20 30 GHEDHM Cc1nc2ccccc2c(C(=O)N2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1[O-] ZINC001149195609 1030086990 /nfs/dbraw/zinc/08/69/90/1030086990.db2.gz HQEOHEBBMXSRRF-GOSISDBHSA-N -1 3 387.439 3.804 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@@H](CC(=O)[N-]Oc2cccc(C#N)c2)c2ccccc21 ZINC001151438084 1030909326 /nfs/dbraw/zinc/90/93/26/1030909326.db2.gz VLCKLBUOWNBAOX-MRXNPFEDSA-N -1 3 393.443 3.897 20 30 GHEDHM NC(=NC(=O)c1[n-]nc2c1cccc2OC(F)(F)F)c1ccc2ccccc2n1 ZINC001156878726 1033301399 /nfs/dbraw/zinc/30/13/99/1033301399.db2.gz UEZBNPCDPLLWHV-UHFFFAOYSA-N -1 3 399.332 3.555 20 30 GHEDHM NC(=NC(=O)c1n[n-]c2c1cccc2OC(F)(F)F)c1ccc2ccccc2n1 ZINC001156878726 1033301415 /nfs/dbraw/zinc/30/14/15/1033301415.db2.gz UEZBNPCDPLLWHV-UHFFFAOYSA-N -1 3 399.332 3.555 20 30 GHEDHM C[C@@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001205451277 1033419546 /nfs/dbraw/zinc/41/95/46/1033419546.db2.gz CWPWRXWXUBRSTC-SECBINFHSA-N -1 3 396.373 3.755 20 30 GHEDHM C=CCC[C@H](C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC001157222863 1033478983 /nfs/dbraw/zinc/47/89/83/1033478983.db2.gz QANKOWZFGZQBIY-BQFCYCMXSA-N -1 3 381.476 3.617 20 30 GHEDHM N#C[C@@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1ccccc1F ZINC001230185515 1033935059 /nfs/dbraw/zinc/93/50/59/1033935059.db2.gz FZNDEBKUZSHSND-HXUWFJFHSA-N -1 3 390.418 3.523 20 30 GHEDHM CCOC(=O)C[C@H]1CC[C@H](Nc2nc(SC)nc(Cl)c2/C=N/[O-])CC1 ZINC001159604749 1034686597 /nfs/dbraw/zinc/68/65/97/1034686597.db2.gz BRNUZIBUQYQGSH-VVNJDWCZSA-N -1 3 386.905 3.584 20 30 GHEDHM O=C(c1ccccc1)N1CC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001161783015 1035301144 /nfs/dbraw/zinc/30/11/44/1035301144.db2.gz DIVSHKQKURPITB-OAHLLOKOSA-N -1 3 393.270 3.874 20 30 GHEDHM CCCn1c2ccccc2n(CCC(=O)N([O-])Cc2ccccc2Cl)c1=O ZINC001161801883 1035305049 /nfs/dbraw/zinc/30/50/49/1035305049.db2.gz FGSLCBMVNCLFTI-UHFFFAOYSA-N -1 3 387.867 3.675 20 30 GHEDHM Cc1cc(C(F)(F)F)n2nc(C(=O)N([O-])Cc3ccccc3Cl)cc2n1 ZINC001161808261 1035306260 /nfs/dbraw/zinc/30/62/60/1035306260.db2.gz ZUFHGXVAEMYENM-UHFFFAOYSA-N -1 3 384.745 3.742 20 30 GHEDHM CC1(C)CNC(=O)c2c(C(=O)N([O-])Cc3cccc4ccccc43)coc2C1 ZINC001161842879 1035313716 /nfs/dbraw/zinc/31/37/16/1035313716.db2.gz ROVGDUZIBQEABN-UHFFFAOYSA-N -1 3 378.428 3.777 20 30 GHEDHM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC001161848424 1035314306 /nfs/dbraw/zinc/31/43/06/1035314306.db2.gz DDJNCJCOCPEVNT-NRFANRHFSA-N -1 3 386.423 3.592 20 30 GHEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3ccc(F)c([O-])c3F)CC2)C1 ZINC001232930675 1038713722 /nfs/dbraw/zinc/71/37/22/1038713722.db2.gz DADPRJMWRLHYAT-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM CCCCCCCC[C@H](O)CNc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001252121561 1038868143 /nfs/dbraw/zinc/86/81/43/1038868143.db2.gz IILKIVCFKBKSOM-INIZCTEOSA-N -1 3 383.533 3.647 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001233798852 1039623650 /nfs/dbraw/zinc/62/36/50/1039623650.db2.gz BCOKAFVJQGCYNY-DWFIAKGDSA-N -1 3 376.453 3.672 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1F ZINC001233799419 1039624733 /nfs/dbraw/zinc/62/47/33/1039624733.db2.gz JMJJGUHJXLXRSM-SUOOHLEKSA-N -1 3 382.432 3.620 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001233803958 1039629007 /nfs/dbraw/zinc/62/90/07/1039629007.db2.gz VQHCAIZWNSGANF-MBTVCVBTSA-N -1 3 391.265 3.924 20 30 GHEDHM C=CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001236684186 1041830020 /nfs/dbraw/zinc/83/00/20/1041830020.db2.gz KLBMBOBZZXQLIM-LJQANCHMSA-N -1 3 393.325 3.688 20 30 GHEDHM C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236685339 1041831387 /nfs/dbraw/zinc/83/13/87/1041831387.db2.gz UHSPVJGOSWXIRR-OALUTQOASA-N -1 3 396.325 3.728 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(F)c1 ZINC001257614876 1044087874 /nfs/dbraw/zinc/08/78/74/1044087874.db2.gz NJZPXVFRXFETCD-UHFFFAOYSA-N -1 3 383.828 3.931 20 30 GHEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001293874819 1044356565 /nfs/dbraw/zinc/35/65/65/1044356565.db2.gz LOAMGWHKBGIRMX-ADLMAVQZSA-N -1 3 393.365 3.629 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2OC(F)(F)F)cc1 ZINC001258116676 1044403752 /nfs/dbraw/zinc/40/37/52/1044403752.db2.gz RLVIUOPVWOHATP-UHFFFAOYSA-N -1 3 376.743 3.911 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3nsnc3cc2Cl)c(Cl)c1 ZINC001259113277 1044967798 /nfs/dbraw/zinc/96/77/98/1044967798.db2.gz NHGUJHCOBVGBQF-UHFFFAOYSA-N -1 3 385.257 3.671 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)ccc1F ZINC001259412287 1045135343 /nfs/dbraw/zinc/13/53/43/1045135343.db2.gz ZGVHBFODEXGRBM-UHFFFAOYSA-N -1 3 379.722 3.565 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)ccc1N1CCCC1 ZINC001259431767 1045148243 /nfs/dbraw/zinc/14/82/43/1045148243.db2.gz VYDQNTQLOTZUCH-UHFFFAOYSA-N -1 3 393.415 3.561 20 30 GHEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001260689851 1045609495 /nfs/dbraw/zinc/60/94/95/1045609495.db2.gz VSKCPICGOHSWLV-UHFFFAOYSA-N -1 3 378.957 3.906 20 30 GHEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CC ZINC001260824993 1045692175 /nfs/dbraw/zinc/69/21/75/1045692175.db2.gz STZFMEWNTFYZPR-NHYWBVRUSA-N -1 3 394.320 3.557 20 30 GHEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC001309847446 1051002918 /nfs/dbraw/zinc/00/29/18/1051002918.db2.gz VOCWUTRYSODILX-GUYCJALGSA-N -1 3 388.445 3.523 20 30 GHEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001342302114 1053088953 /nfs/dbraw/zinc/08/89/53/1053088953.db2.gz AFBSERKENQWGTN-LBPRGKRZSA-N -1 3 390.438 3.518 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2sccc2[C@H]1CC ZINC001342523059 1053216648 /nfs/dbraw/zinc/21/66/48/1053216648.db2.gz OYIVGQCZNXNHME-MRXNPFEDSA-N -1 3 396.520 3.901 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC001343461506 1053784834 /nfs/dbraw/zinc/78/48/34/1053784834.db2.gz BBTKCZZURALEDI-OAHLLOKOSA-N -1 3 378.819 3.546 20 30 GHEDHM COC[C@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc(C)c1 ZINC001317771597 1054252974 /nfs/dbraw/zinc/25/29/74/1054252974.db2.gz MFYKKKURNGDNEM-HNNXBMFYSA-N -1 3 397.500 3.754 20 30 GHEDHM COC[C@@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc(C)c1 ZINC001317771599 1054253080 /nfs/dbraw/zinc/25/30/80/1054253080.db2.gz MFYKKKURNGDNEM-OAHLLOKOSA-N -1 3 397.500 3.754 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000848137229 1056741862 /nfs/dbraw/zinc/74/18/62/1056741862.db2.gz BIPXIULDLONGFY-VIFPVBQESA-N -1 3 392.786 3.684 20 30 GHEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnc(C2CCCC2)o1 ZINC001322526633 1056743320 /nfs/dbraw/zinc/74/33/20/1056743320.db2.gz MEBXXOOFCFLFGW-OAHLLOKOSA-N -1 3 388.493 3.553 20 30 GHEDHM COCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC001324366063 1057120896 /nfs/dbraw/zinc/12/08/96/1057120896.db2.gz GGNVAEONCOLNLU-HNNXBMFYSA-N -1 3 399.299 3.810 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(SC(C)(C)C)c2)c1 ZINC001356058754 1057372528 /nfs/dbraw/zinc/37/25/28/1057372528.db2.gz GMNWUBZWKHSQCY-MRXNPFEDSA-N -1 3 383.473 3.942 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N(C)Cc1cc(C)on1 ZINC001356167401 1057415913 /nfs/dbraw/zinc/41/59/13/1057415913.db2.gz PCXAIXMEDALXPN-UHFFFAOYSA-N -1 3 387.871 3.541 20 30 GHEDHM C=CCN(Cc1cccs1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC(=C)C ZINC001341741142 1060852816 /nfs/dbraw/zinc/85/28/16/1060852816.db2.gz ZLILJGVJFUMWFA-UHFFFAOYSA-N -1 3 382.493 3.579 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1C ZINC001341919975 1060951061 /nfs/dbraw/zinc/95/10/61/1060951061.db2.gz GACHIFARGCEMEM-LBPRGKRZSA-N -1 3 392.242 3.975 20 30 GHEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2cccc(Br)c2)c(F)c1 ZINC001456099228 1062481246 /nfs/dbraw/zinc/48/12/46/1062481246.db2.gz NDDJEXBZTCGNQZ-UHFFFAOYSA-N -1 3 383.167 3.868 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2ccc(CN3CCCCC3)o2)c(Cl)c([N+](=O)[O-])c1 ZINC001435632512 1062796115 /nfs/dbraw/zinc/79/61/15/1062796115.db2.gz PKNBJOYEXSLFMI-UHFFFAOYSA-N -1 3 388.811 3.951 20 30 GHEDHM CCOc1cc(C(=O)N([O-])CCCCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC001457995452 1063495557 /nfs/dbraw/zinc/49/55/57/1063495557.db2.gz UGFMEXCHJWTSSU-UHFFFAOYSA-N -1 3 388.420 3.856 20 30 GHEDHM Cc1nn(C)c2nc(C)c(CCC(=O)N([O-])Cc3ccccc3Cl)c(C)c12 ZINC001458004626 1063502453 /nfs/dbraw/zinc/50/24/53/1063502453.db2.gz WNBXJQPMGKNAGC-UHFFFAOYSA-N -1 3 386.883 3.898 20 30 GHEDHM Cc1nn(-c2ccccc2)c2ncc(C(=O)N([O-])Cc3ccc(F)cc3)cc12 ZINC001458015571 1063506829 /nfs/dbraw/zinc/50/68/29/1063506829.db2.gz FUFHKPHLJLZSFF-UHFFFAOYSA-N -1 3 376.391 3.900 20 30 GHEDHM COCCOC(=O)c1c(C)[nH]c(C(=O)N([O-])Cc2cccc3ccccc32)c1C ZINC001458016193 1063508881 /nfs/dbraw/zinc/50/88/81/1063508881.db2.gz KGEFIZWGXBJVDQ-UHFFFAOYSA-N -1 3 396.443 3.620 20 30 GHEDHM CCCCc1nc(NC(=O)C[C@H](CC#N)c2ccccc2)c(C(=O)OCC)[n-]1 ZINC001458954300 1063967614 /nfs/dbraw/zinc/96/76/14/1063967614.db2.gz LIWMLVGSQRDICL-INIZCTEOSA-N -1 3 382.464 3.955 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC001463652790 1064527860 /nfs/dbraw/zinc/52/78/60/1064527860.db2.gz GWZMCLOCHXTEDD-VIFPVBQESA-N -1 3 376.381 3.558 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001352063171 1064802484 /nfs/dbraw/zinc/80/24/84/1064802484.db2.gz PGUFHHJIHMCBLF-HNAYVOBHSA-N -1 3 390.491 3.708 20 30 GHEDHM CCCCCCCCCCNC(=S)Nc1ncc(Br)[n-]c1=O ZINC001200219360 1065622257 /nfs/dbraw/zinc/62/22/57/1065622257.db2.gz ZBWUAUBGDDNTTR-UHFFFAOYSA-N -1 3 389.363 3.960 20 30 GHEDHM N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001300192822 1065624824 /nfs/dbraw/zinc/62/48/24/1065624824.db2.gz GFUGGSZOKIBNSL-AWEZNQCLSA-N -1 3 392.390 3.548 20 30 GHEDHM COc1ccc(N2CC[C@H](/N=C/c3cc(Br)ccc3[O-])C2)cc1 ZINC000849170155 1067751649 /nfs/dbraw/zinc/75/16/49/1067751649.db2.gz LQRWXZCCUPGGKF-BBJIBYMTSA-N -1 3 375.266 3.861 20 30 GHEDHM Cn1nc(C2CCOCC2)cc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472617798 1073578055 /nfs/dbraw/zinc/57/80/55/1073578055.db2.gz QMMAHULWMCRAJV-UHFFFAOYSA-N -1 3 384.263 3.653 20 30 GHEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@H](COCC(C)C)c1ccco1 ZINC001474916560 1074631203 /nfs/dbraw/zinc/63/12/03/1074631203.db2.gz SPWRRSZRWWEBMM-LJQANCHMSA-N -1 3 390.505 3.601 20 30 GHEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001475646735 1074992361 /nfs/dbraw/zinc/99/23/61/1074992361.db2.gz XIZOGJLKEZKQQE-UHFFFAOYSA-N -1 3 380.388 3.884 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc2ccc(C)nc21 ZINC000735420276 598922525 /nfs/dbraw/zinc/92/25/25/598922525.db2.gz NZEWYLHHMWLPMC-UHFFFAOYSA-N -1 3 399.458 3.943 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc2ccc(C)nc21 ZINC000735420276 598922526 /nfs/dbraw/zinc/92/25/26/598922526.db2.gz NZEWYLHHMWLPMC-UHFFFAOYSA-N -1 3 399.458 3.943 20 30 GHEDHM N#CCCn1cc(C(=O)CSc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000737693773 599109979 /nfs/dbraw/zinc/10/99/79/599109979.db2.gz JKCQQLSYLUZUFG-UHFFFAOYSA-N -1 3 388.456 3.710 20 30 GHEDHM N#CCCn1cc(C(=O)CSc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000737693773 599109983 /nfs/dbraw/zinc/10/99/83/599109983.db2.gz JKCQQLSYLUZUFG-UHFFFAOYSA-N -1 3 388.456 3.710 20 30 GHEDHM C=CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000819759541 599112622 /nfs/dbraw/zinc/11/26/22/599112622.db2.gz ZGZZGFHYSVDKGS-WJDWOHSUSA-N -1 3 388.427 3.653 20 30 GHEDHM C=CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000819759541 599112624 /nfs/dbraw/zinc/11/26/24/599112624.db2.gz ZGZZGFHYSVDKGS-WJDWOHSUSA-N -1 3 388.427 3.653 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000735418100 599146627 /nfs/dbraw/zinc/14/66/27/599146627.db2.gz AFJJYISDXMVXQP-QGZVFWFLSA-N -1 3 390.491 3.942 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000735418100 599146629 /nfs/dbraw/zinc/14/66/29/599146629.db2.gz AFJJYISDXMVXQP-QGZVFWFLSA-N -1 3 390.491 3.942 20 30 GHEDHM CCc1ccc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)cc1 ZINC000736682664 599156498 /nfs/dbraw/zinc/15/64/98/599156498.db2.gz KKEJHASFASWOGM-MDWZMJQESA-N -1 3 384.443 3.819 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1cc(C)ccc1C ZINC000737320034 599157623 /nfs/dbraw/zinc/15/76/23/599157623.db2.gz LMOSJRTVTYINQP-MDZDMXLPSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cnn1-c1cc(C)ccc1C ZINC000737320034 599157625 /nfs/dbraw/zinc/15/76/25/599157625.db2.gz LMOSJRTVTYINQP-MDZDMXLPSA-N -1 3 384.443 3.874 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819722540 599273860 /nfs/dbraw/zinc/27/38/60/599273860.db2.gz MIRLYORFMNKPOL-AWEZNQCLSA-N -1 3 378.436 3.704 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819722540 599273861 /nfs/dbraw/zinc/27/38/61/599273861.db2.gz MIRLYORFMNKPOL-AWEZNQCLSA-N -1 3 378.436 3.704 20 30 GHEDHM N#CCCSc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737695849 598495504 /nfs/dbraw/zinc/49/55/04/598495504.db2.gz WTQYSPVLIZEOFY-ZHACJKMWSA-N -1 3 376.445 3.524 20 30 GHEDHM N#CCCSc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737695849 598495505 /nfs/dbraw/zinc/49/55/05/598495505.db2.gz WTQYSPVLIZEOFY-ZHACJKMWSA-N -1 3 376.445 3.524 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738289634 598513584 /nfs/dbraw/zinc/51/35/84/598513584.db2.gz KPUVSROWWCUQQV-WZUFQYTHSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738289634 598513585 /nfs/dbraw/zinc/51/35/85/598513585.db2.gz KPUVSROWWCUQQV-WZUFQYTHSA-N -1 3 385.196 3.591 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737727295 598647850 /nfs/dbraw/zinc/64/78/50/598647850.db2.gz ISUVOMNKSZSBFE-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737727295 598647852 /nfs/dbraw/zinc/64/78/52/598647852.db2.gz ISUVOMNKSZSBFE-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccsc1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737729019 598647888 /nfs/dbraw/zinc/64/78/88/598647888.db2.gz YTVPVLGEVXIVSC-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccsc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737729019 598647890 /nfs/dbraw/zinc/64/78/90/598647890.db2.gz YTVPVLGEVXIVSC-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000735416031 598759648 /nfs/dbraw/zinc/75/96/48/598759648.db2.gz BSUCFXKBBWBBFY-UHFFFAOYSA-N -1 3 384.484 3.866 20 30 GHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000735416031 598759649 /nfs/dbraw/zinc/75/96/49/598759649.db2.gz BSUCFXKBBWBBFY-UHFFFAOYSA-N -1 3 384.484 3.866 20 30 GHEDHM C[C@@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189164 599333063 /nfs/dbraw/zinc/33/30/63/599333063.db2.gz ODVGBUFGVHMOHY-LLVKDONJSA-N -1 3 398.879 3.825 20 30 GHEDHM C[C@@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189164 599333065 /nfs/dbraw/zinc/33/30/65/599333065.db2.gz ODVGBUFGVHMOHY-LLVKDONJSA-N -1 3 398.879 3.825 20 30 GHEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCCc2cccc3ccccc32)nc1N ZINC000737706246 599368283 /nfs/dbraw/zinc/36/82/83/599368283.db2.gz WSTARWHSNIXAQG-UHFFFAOYSA-N -1 3 387.472 3.594 20 30 GHEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCCc2cccc3ccccc32)nc1N ZINC000737706246 599368286 /nfs/dbraw/zinc/36/82/86/599368286.db2.gz WSTARWHSNIXAQG-UHFFFAOYSA-N -1 3 387.472 3.594 20 30 GHEDHM C=CCN(Cc1csc([C@@H](C)OCC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425754 599474522 /nfs/dbraw/zinc/47/45/22/599474522.db2.gz FGRQPGXHVMDFBO-CQSZACIVSA-N -1 3 384.509 3.609 20 30 GHEDHM C=CCN(Cc1csc([C@@H](C)OCC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425754 599474524 /nfs/dbraw/zinc/47/45/24/599474524.db2.gz FGRQPGXHVMDFBO-CQSZACIVSA-N -1 3 384.509 3.609 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822486896 607460366 /nfs/dbraw/zinc/46/03/66/607460366.db2.gz UWXAUUIPELXLBN-ZHACJKMWSA-N -1 3 388.406 3.704 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822486896 607460368 /nfs/dbraw/zinc/46/03/68/607460368.db2.gz UWXAUUIPELXLBN-ZHACJKMWSA-N -1 3 388.406 3.704 20 30 GHEDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(SC)cc1OC ZINC000831989837 601320892 /nfs/dbraw/zinc/32/08/92/601320892.db2.gz NGDAQDSOBAFEAN-LJQANCHMSA-N -1 3 386.473 3.555 20 30 GHEDHM C[C@@](NCc1ccc(F)c(C#N)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000827740974 602237001 /nfs/dbraw/zinc/23/70/01/602237001.db2.gz GPEDMDQZIIQDQP-KRWDZBQOSA-N -1 3 377.213 3.549 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000826384240 607588158 /nfs/dbraw/zinc/58/81/58/607588158.db2.gz MRKXSHKXNLUCRP-UHFFFAOYSA-N -1 3 392.728 3.663 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000826384240 607588160 /nfs/dbraw/zinc/58/81/60/607588160.db2.gz MRKXSHKXNLUCRP-UHFFFAOYSA-N -1 3 392.728 3.663 20 30 GHEDHM C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CCCC1 ZINC000819854795 606177094 /nfs/dbraw/zinc/17/70/94/606177094.db2.gz CCXXTOLGVLUXAR-MLGOLLRUSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CCCC1 ZINC000819854795 606177096 /nfs/dbraw/zinc/17/70/96/606177096.db2.gz CCXXTOLGVLUXAR-MLGOLLRUSA-N -1 3 392.488 3.993 20 30 GHEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821170769 606262268 /nfs/dbraw/zinc/26/22/68/606262268.db2.gz WFDCXNULNLLACW-CQSZACIVSA-N -1 3 392.488 3.640 20 30 GHEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821170769 606262270 /nfs/dbraw/zinc/26/22/70/606262270.db2.gz WFDCXNULNLLACW-CQSZACIVSA-N -1 3 392.488 3.640 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822486624 606305695 /nfs/dbraw/zinc/30/56/95/606305695.db2.gz QPNNSKVDXPKOSR-CMDGGOBGSA-N -1 3 376.445 3.627 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822486624 606305697 /nfs/dbraw/zinc/30/56/97/606305697.db2.gz QPNNSKVDXPKOSR-CMDGGOBGSA-N -1 3 376.445 3.627 20 30 GHEDHM FC(F)(F)c1cc(N=NC[C@H]2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC000822723444 606462083 /nfs/dbraw/zinc/46/20/83/606462083.db2.gz FIPBWTBUAFEFAP-LLVKDONJSA-N -1 3 388.353 3.850 20 30 GHEDHM FC(F)(F)c1cc(N=NC[C@H]2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000822723444 606462085 /nfs/dbraw/zinc/46/20/85/606462085.db2.gz FIPBWTBUAFEFAP-LLVKDONJSA-N -1 3 388.353 3.850 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 ZINC000822136979 606789729 /nfs/dbraw/zinc/78/97/29/606789729.db2.gz RVVUSWJKJJWWEU-QGZVFWFLSA-N -1 3 390.447 3.636 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 ZINC000822136979 606789730 /nfs/dbraw/zinc/78/97/30/606789730.db2.gz RVVUSWJKJJWWEU-QGZVFWFLSA-N -1 3 390.447 3.636 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000822135475 606797728 /nfs/dbraw/zinc/79/77/28/606797728.db2.gz BKQYNCFDQXWBKJ-SFHVURJKSA-N -1 3 390.447 3.636 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000822135475 606797729 /nfs/dbraw/zinc/79/77/29/606797729.db2.gz BKQYNCFDQXWBKJ-SFHVURJKSA-N -1 3 390.447 3.636 20 30 GHEDHM C=C(C)[C@H](CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)OCC ZINC000823872502 607880121 /nfs/dbraw/zinc/88/01/21/607880121.db2.gz AMABPFRPUKUBKG-IBGZPJMESA-N -1 3 378.432 3.810 20 30 GHEDHM C=C(C)[C@H](CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)OCC ZINC000823872502 607880122 /nfs/dbraw/zinc/88/01/22/607880122.db2.gz AMABPFRPUKUBKG-IBGZPJMESA-N -1 3 378.432 3.810 20 30 GHEDHM CCN(CCC#N)C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000825419992 608180307 /nfs/dbraw/zinc/18/03/07/608180307.db2.gz XFHPWCVLXARHER-UHFFFAOYSA-N -1 3 392.488 3.535 20 30 GHEDHM CCN(CCC#N)C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000825419992 608180308 /nfs/dbraw/zinc/18/03/08/608180308.db2.gz XFHPWCVLXARHER-UHFFFAOYSA-N -1 3 392.488 3.535 20 30 GHEDHM C=CCN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000823903441 608277970 /nfs/dbraw/zinc/27/79/70/608277970.db2.gz ANWBBPSBSHXEGF-UHFFFAOYSA-N -1 3 377.473 3.809 20 30 GHEDHM C=CCN(C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000823903441 608277972 /nfs/dbraw/zinc/27/79/72/608277972.db2.gz ANWBBPSBSHXEGF-UHFFFAOYSA-N -1 3 377.473 3.809 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1-c1nnn[n-]1 ZINC000826385739 608546683 /nfs/dbraw/zinc/54/66/83/608546683.db2.gz YOPYGEICGZTVJV-UHFFFAOYSA-N -1 3 392.728 3.663 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1-c1nn[n-]n1 ZINC000826385739 608546684 /nfs/dbraw/zinc/54/66/84/608546684.db2.gz YOPYGEICGZTVJV-UHFFFAOYSA-N -1 3 392.728 3.663 20 30 GHEDHM Brc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000823826243 609303880 /nfs/dbraw/zinc/30/38/80/609303880.db2.gz FDQBVDXKDBHNEK-UHFFFAOYSA-N -1 3 394.236 3.623 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824114354 609307255 /nfs/dbraw/zinc/30/72/55/609307255.db2.gz PNSYHJBSCGVKNV-GHXNOFRVSA-N -1 3 376.416 3.718 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824114354 609307256 /nfs/dbraw/zinc/30/72/56/609307256.db2.gz PNSYHJBSCGVKNV-GHXNOFRVSA-N -1 3 376.416 3.718 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826281336 609308148 /nfs/dbraw/zinc/30/81/48/609308148.db2.gz NDHBWBCAGHONEG-HJWRWDBZSA-N -1 3 376.445 3.533 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826281336 609308149 /nfs/dbraw/zinc/30/81/49/609308149.db2.gz NDHBWBCAGHONEG-HJWRWDBZSA-N -1 3 376.445 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C)c(CC)c1 ZINC000823910010 609381912 /nfs/dbraw/zinc/38/19/12/609381912.db2.gz WAJFVPMEHXZDJF-UHFFFAOYSA-N -1 3 376.464 3.958 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C)c(CC)c1 ZINC000823910010 609381915 /nfs/dbraw/zinc/38/19/15/609381915.db2.gz WAJFVPMEHXZDJF-UHFFFAOYSA-N -1 3 376.464 3.958 20 30 GHEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823904099 609452318 /nfs/dbraw/zinc/45/23/18/609452318.db2.gz UUGNELJTSAGXLA-NSHDSACASA-N -1 3 397.426 3.567 20 30 GHEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823904099 609452320 /nfs/dbraw/zinc/45/23/20/609452320.db2.gz UUGNELJTSAGXLA-NSHDSACASA-N -1 3 397.426 3.567 20 30 GHEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824390844 609468782 /nfs/dbraw/zinc/46/87/82/609468782.db2.gz DVRYTMWCQYAVMV-JTQLQIEISA-N -1 3 393.879 3.611 20 30 GHEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824390844 609468785 /nfs/dbraw/zinc/46/87/85/609468785.db2.gz DVRYTMWCQYAVMV-JTQLQIEISA-N -1 3 393.879 3.611 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000823958474 609472716 /nfs/dbraw/zinc/47/27/16/609472716.db2.gz ODBUTQMSFXFTEQ-UHFFFAOYSA-N -1 3 395.854 3.586 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000823958474 609472719 /nfs/dbraw/zinc/47/27/19/609472719.db2.gz ODBUTQMSFXFTEQ-UHFFFAOYSA-N -1 3 395.854 3.586 20 30 GHEDHM COCCCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000471336778 837285782 /nfs/dbraw/zinc/28/57/82/837285782.db2.gz PUNHCFPWHVLZBB-OAQYLSRUSA-N -1 3 395.503 3.883 20 30 GHEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1C ZINC000177600956 837989412 /nfs/dbraw/zinc/98/94/12/837989412.db2.gz HLZBPHJELKAKIU-LLVKDONJSA-N -1 3 379.247 3.811 20 30 GHEDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000599444652 861192005 /nfs/dbraw/zinc/19/20/05/861192005.db2.gz ABRJSUGKSIXKCO-UHFFFAOYSA-N -1 3 384.370 3.927 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2c(F)cc(C#N)cc2F)nc1C(C)C ZINC000156135422 841069350 /nfs/dbraw/zinc/06/93/50/841069350.db2.gz OJMDSMKSIYAPDN-UHFFFAOYSA-N -1 3 379.388 3.845 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000603810201 861213310 /nfs/dbraw/zinc/21/33/10/861213310.db2.gz HTXWICACSLGCSQ-QGZVFWFLSA-N -1 3 377.366 3.628 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(Nc3cnccn3)c2)s1 ZINC000430607546 841552770 /nfs/dbraw/zinc/55/27/70/841552770.db2.gz YZDNAORUXCQJKZ-HNNXBMFYSA-N -1 3 377.473 3.886 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)sc1Br ZINC000150005719 845374877 /nfs/dbraw/zinc/37/48/77/845374877.db2.gz GPNSUMAXQFZUQU-JTQLQIEISA-N -1 3 385.308 3.730 20 30 GHEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509780981 845390906 /nfs/dbraw/zinc/39/09/06/845390906.db2.gz GEFWTGOPDYUUGC-IINYFYTJSA-N -1 3 383.819 3.618 20 30 GHEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479270860 847572929 /nfs/dbraw/zinc/57/29/29/847572929.db2.gz AQKXZPDYOYTWEX-UHFFFAOYSA-N -1 3 393.877 3.939 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c(Cl)c1 ZINC000503432529 847691676 /nfs/dbraw/zinc/69/16/76/847691676.db2.gz WDWTUTPXINSCIH-RYUDHWBXSA-N -1 3 380.819 3.859 20 30 GHEDHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000162198483 848852158 /nfs/dbraw/zinc/85/21/58/848852158.db2.gz RFKXJXZEGSDDRQ-IBGZPJMESA-N -1 3 379.504 3.666 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4nc(C5CC5)no4)cc3)nc1-2 ZINC000435459200 850538961 /nfs/dbraw/zinc/53/89/61/850538961.db2.gz MOPZAVHLQVZOOX-OAHLLOKOSA-N -1 3 384.399 3.684 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)[C@@H](C#N)c3nc4c(cccc4C)[nH]3)cc2)cc(=O)[n-]1 ZINC000505448605 851382850 /nfs/dbraw/zinc/38/28/50/851382850.db2.gz CEYDYPJKWYNSRP-INIZCTEOSA-N -1 3 398.426 3.588 20 30 GHEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OCCCC#N ZINC000426763876 852348601 /nfs/dbraw/zinc/34/86/01/852348601.db2.gz UIPCGTSCEBNDER-NRFANRHFSA-N -1 3 382.460 3.910 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)cc1 ZINC000517879707 852566812 /nfs/dbraw/zinc/56/68/12/852566812.db2.gz MFNARAWVBSOARB-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM C=C(C)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000490078030 852751967 /nfs/dbraw/zinc/75/19/67/852751967.db2.gz TYCJEYYOMPFGSP-UHFFFAOYSA-N -1 3 396.871 3.894 20 30 GHEDHM CC#CCN(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000519727094 853412201 /nfs/dbraw/zinc/41/22/01/853412201.db2.gz OGVYXEKCZHJXDB-UHFFFAOYSA-N -1 3 398.528 3.816 20 30 GHEDHM C[C@@H]1C[C@@H]1c1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)o1 ZINC000732763170 862480699 /nfs/dbraw/zinc/48/06/99/862480699.db2.gz AGCQMSPOJWWSTD-BTJLNZGRSA-N -1 3 382.445 3.678 20 30 GHEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000129652293 854446914 /nfs/dbraw/zinc/44/69/14/854446914.db2.gz UZGVASRKGXSZMP-CYBMUJFWSA-N -1 3 391.210 3.741 20 30 GHEDHM COCc1cccc2sc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc21 ZINC000520539614 855611950 /nfs/dbraw/zinc/61/19/50/855611950.db2.gz JGGCXQORDXSLOZ-UHFFFAOYSA-N -1 3 396.472 3.603 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2CC[C@H]1C(C)C ZINC000133810367 862709722 /nfs/dbraw/zinc/70/97/22/862709722.db2.gz OXOQPFQBDASIGE-FQEVSTJZSA-N -1 3 377.488 3.800 20 30 GHEDHM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)cc1C#N ZINC000427778099 856726082 /nfs/dbraw/zinc/72/60/82/856726082.db2.gz IQWHYCWPVBWUAN-UHFFFAOYSA-N -1 3 395.488 3.987 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000485941725 857233972 /nfs/dbraw/zinc/23/39/72/857233972.db2.gz PZILCXYQVGAKDR-ZDUSSCGKSA-N -1 3 388.798 3.836 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2ccc(F)c(Br)c2)c1[O-] ZINC000764414309 859444327 /nfs/dbraw/zinc/44/43/27/859444327.db2.gz QKLSYQHTFCGREN-UDKNBNFDSA-N -1 3 381.245 3.540 20 30 GHEDHM CC(C)(CC#N)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000764844735 859639929 /nfs/dbraw/zinc/63/99/29/859639929.db2.gz WGXRJCHRMXZKHJ-UHFFFAOYSA-N -1 3 390.436 3.723 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000597950602 859955219 /nfs/dbraw/zinc/95/52/19/859955219.db2.gz YVJCEJCTVDNRIQ-UHFFFAOYSA-N -1 3 377.488 3.571 20 30 GHEDHM CCC[C@@H](CCCS(C)(=O)=O)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171502 860200545 /nfs/dbraw/zinc/20/05/45/860200545.db2.gz OHCJQRZFSXEGAD-KRWDZBQOSA-N -1 3 377.506 3.799 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC000155427440 860508681 /nfs/dbraw/zinc/50/86/81/860508681.db2.gz UWSZSNYARNCDAJ-UHFFFAOYSA-N -1 3 381.451 3.911 20 30 GHEDHM N#C[C@@H]([N-]C(=O)C1(C(F)(F)F)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000598823033 860600980 /nfs/dbraw/zinc/60/09/80/860600980.db2.gz CBPRAZPJHNKYPI-GFCCVEGCSA-N -1 3 396.287 3.625 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000125261541 860624718 /nfs/dbraw/zinc/62/47/18/860624718.db2.gz UPTUCYMKFOCGRQ-UHFFFAOYSA-N -1 3 386.864 3.698 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000061077302 860681858 /nfs/dbraw/zinc/68/18/58/860681858.db2.gz CWAOAELQCJLGFO-UHFFFAOYSA-N -1 3 392.503 3.671 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cn2)c1 ZINC000603627102 860930012 /nfs/dbraw/zinc/93/00/12/860930012.db2.gz QQSJELKGJBYUHO-UHFFFAOYSA-N -1 3 382.379 3.839 20 30 GHEDHM COc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc2ccccc21 ZINC000114618191 881757272 /nfs/dbraw/zinc/75/72/72/881757272.db2.gz PRLONLRBSYMECP-AWEZNQCLSA-N -1 3 397.793 3.997 20 30 GHEDHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736329796 865182184 /nfs/dbraw/zinc/18/21/84/865182184.db2.gz VKHFYYKPVHCMBM-MSKHEQNASA-N -1 3 388.431 3.568 20 30 GHEDHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736329796 865182190 /nfs/dbraw/zinc/18/21/90/865182190.db2.gz VKHFYYKPVHCMBM-MSKHEQNASA-N -1 3 388.431 3.568 20 30 GHEDHM N#CC(=C([O-])c1ccc(Br)c(OC(F)(F)F)c1)c1ccncn1 ZINC000555122120 865561327 /nfs/dbraw/zinc/56/13/27/865561327.db2.gz CXUXVTMGNIYIMA-VIFPVBQESA-N -1 3 386.127 3.628 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(OC(F)F)cc1 ZINC000063944636 865722464 /nfs/dbraw/zinc/72/24/64/865722464.db2.gz WNIBQQHABQQTEQ-CYBMUJFWSA-N -1 3 390.386 3.702 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000920323873 882043393 /nfs/dbraw/zinc/04/33/93/882043393.db2.gz KORAQQBANYBJFU-AWEZNQCLSA-N -1 3 382.782 3.626 20 30 GHEDHM C[C@]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)(C1CC1)C(F)(F)F ZINC000479148789 867241664 /nfs/dbraw/zinc/24/16/64/867241664.db2.gz YPHOJXCOYFGKCE-NSHDSACASA-N -1 3 379.297 3.854 20 30 GHEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000428393174 867926746 /nfs/dbraw/zinc/92/67/46/867926746.db2.gz MRNHNAMBTAPRKI-HNNXBMFYSA-N -1 3 395.406 3.958 20 30 GHEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000743448536 868197486 /nfs/dbraw/zinc/19/74/86/868197486.db2.gz UEHBKTXPLXSKLZ-UHFFFAOYSA-N -1 3 382.432 3.564 20 30 GHEDHM COC(=O)c1cc(C/N=C/c2cc(Br)ccc2[O-])ccc1OC ZINC000920942288 882464249 /nfs/dbraw/zinc/46/42/49/882464249.db2.gz WSAAFTPCUVPDEJ-VXLYETTFSA-N -1 3 378.222 3.569 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000775587417 870998189 /nfs/dbraw/zinc/99/81/89/870998189.db2.gz ZFEGSHVVNMDVGI-IBGZPJMESA-N -1 3 383.404 3.939 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000775587417 870998195 /nfs/dbraw/zinc/99/81/95/870998195.db2.gz ZFEGSHVVNMDVGI-IBGZPJMESA-N -1 3 383.404 3.939 20 30 GHEDHM N#Cc1cnc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c(Cl)c1 ZINC000463162084 871007608 /nfs/dbraw/zinc/00/76/08/871007608.db2.gz OQMAZDWFIORCPU-UHFFFAOYSA-N -1 3 393.621 3.951 20 30 GHEDHM COc1cc(Br)c(OC)c(C(=O)[N-]c2occ(C)c2C#N)c1OC ZINC001195159753 872222982 /nfs/dbraw/zinc/22/29/82/872222982.db2.gz YKDWZHGEWICQDV-UHFFFAOYSA-N -1 3 395.209 3.500 20 30 GHEDHM CC(C)Oc1cc(Br)cc(C(=O)N([O-])C(=N)c2ccccc2N)c1 ZINC001196863146 873442420 /nfs/dbraw/zinc/44/24/20/873442420.db2.gz RWXVELQAQRTPCJ-UHFFFAOYSA-N -1 3 392.253 3.675 20 30 GHEDHM C[C@H](NC(=O)OC(C)(C)C)c1cccc(C(=O)N([O-])C(=N)c2ccccc2N)c1 ZINC001197475316 873826208 /nfs/dbraw/zinc/82/62/08/873826208.db2.gz JUBYMTIFPRBWBH-ZDUSSCGKSA-N -1 3 398.463 3.711 20 30 GHEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC001197501960 873873227 /nfs/dbraw/zinc/87/32/27/873873227.db2.gz BGNJHOFGASEXCI-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM CCCOc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1OC ZINC000769813351 874302859 /nfs/dbraw/zinc/30/28/59/874302859.db2.gz UFGMANGXBFIRKY-UHFFFAOYSA-N -1 3 398.467 3.530 20 30 GHEDHM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)cc1C#N ZINC001201617476 875793157 /nfs/dbraw/zinc/79/31/57/875793157.db2.gz QRHCMMCCRHTHIR-UHFFFAOYSA-N -1 3 381.413 3.555 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2ccccc2OCC)c(C)c1[O-] ZINC001202147032 876024744 /nfs/dbraw/zinc/02/47/44/876024744.db2.gz BUHPSZCGQLYABX-UHFFFAOYSA-N -1 3 383.404 3.792 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000451019447 877196250 /nfs/dbraw/zinc/19/62/50/877196250.db2.gz RYUZEEZPGLLBNH-NWDGAFQWSA-N -1 3 380.819 3.805 20 30 GHEDHM CC(C)(C)OC(=O)[C@H](C([O-])=C(C#N)c1cnc2ccccc2n1)C1CCCC1 ZINC000850984799 877320258 /nfs/dbraw/zinc/32/02/58/877320258.db2.gz BXQZPUGVNJINSX-BEFAXECRSA-N -1 3 379.460 3.954 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3Cl)n2)c1 ZINC000776514673 877441234 /nfs/dbraw/zinc/44/12/34/877441234.db2.gz FRWJLXLYUMBEMY-OAHLLOKOSA-N -1 3 395.802 3.965 20 30 GHEDHM Cc1cc(-c2ncccc2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000186869467 877548604 /nfs/dbraw/zinc/54/86/04/877548604.db2.gz IVJRATJAYPMHRY-UHFFFAOYSA-N -1 3 392.484 3.867 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1[O-] ZINC000788674513 878235078 /nfs/dbraw/zinc/23/50/78/878235078.db2.gz KPDKDKBHMNBSJJ-VKDBZVEWSA-N -1 3 380.275 3.593 20 30 GHEDHM N#C[C@@]1(c2ccccn2)CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000852330259 878248262 /nfs/dbraw/zinc/24/82/62/878248262.db2.gz PIDNOUXUIAMQRO-QFIPXVFZSA-N -1 3 385.427 3.534 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1cccc(C(F)(F)F)c1 ZINC000537877037 878442867 /nfs/dbraw/zinc/44/28/67/878442867.db2.gz RBINXECOZOCQRA-INIZCTEOSA-N -1 3 396.390 3.574 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000285839877 912466531 /nfs/dbraw/zinc/46/65/31/912466531.db2.gz PDHUEODELKZMLW-LBPRGKRZSA-N -1 3 393.365 3.927 20 30 GHEDHM N#Cc1cc(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)cs1 ZINC001129745658 883172456 /nfs/dbraw/zinc/17/24/56/883172456.db2.gz DUIOKYGKZOMHPG-UHFFFAOYSA-N -1 3 376.850 3.956 20 30 GHEDHM C=CCCCCCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000805104323 883582719 /nfs/dbraw/zinc/58/27/19/883582719.db2.gz PIMXXCNITZXTEC-UHFFFAOYSA-N -1 3 376.881 3.852 20 30 GHEDHM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1 ZINC001183765917 912776715 /nfs/dbraw/zinc/77/67/15/912776715.db2.gz WGZKUYROPAGCEO-QGZVFWFLSA-N -1 3 381.432 3.511 20 30 GHEDHM CC(C)C1(C(=O)Nc2ccc([O-])c(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001184004329 912966734 /nfs/dbraw/zinc/96/67/34/912966734.db2.gz IQRFXVLKWAPGOO-UHFFFAOYSA-N -1 3 387.480 3.876 20 30 GHEDHM C=CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCCC1 ZINC001131251396 886269306 /nfs/dbraw/zinc/26/93/06/886269306.db2.gz HRQFQTFETVZHOR-UHFFFAOYSA-N -1 3 382.501 3.521 20 30 GHEDHM COc1cc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(F)cc1C#N ZINC001131704455 887388462 /nfs/dbraw/zinc/38/84/62/887388462.db2.gz DHIDCPRYDHYGQJ-UHFFFAOYSA-N -1 3 383.257 3.885 20 30 GHEDHM CCC(CC)c1noc([C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000809399179 887398316 /nfs/dbraw/zinc/39/83/16/887398316.db2.gz FQXCKXBNTFXGSS-OAHLLOKOSA-N -1 3 390.509 3.799 20 30 GHEDHM Cc1ccc(C(=O)N[C@@H](C(=O)N([O-])CCCCc2ccccc2)C(C)C)cc1 ZINC001184293114 913142832 /nfs/dbraw/zinc/14/28/32/913142832.db2.gz FTQJFCYLRPKVTJ-OAQYLSRUSA-N -1 3 382.504 3.990 20 30 GHEDHM Cc1cc(=O)oc2cc(OCC(=O)N([O-])CCCCc3ccccc3)ccc12 ZINC001184293128 913143289 /nfs/dbraw/zinc/14/32/89/913143289.db2.gz GFUQYMXDXSZJQT-UHFFFAOYSA-N -1 3 381.428 3.721 20 30 GHEDHM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001184293441 913143384 /nfs/dbraw/zinc/14/33/84/913143384.db2.gz SRSXEOQDTDIWFR-OAQYLSRUSA-N -1 3 380.488 3.727 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000130427380 888165552 /nfs/dbraw/zinc/16/55/52/888165552.db2.gz 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ZINC000811188087 889273012 /nfs/dbraw/zinc/27/30/12/889273012.db2.gz UYRDLBHZFPOLGT-SECBINFHSA-N -1 3 379.199 3.755 20 30 GHEDHM CCOC(=O)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])c(C#N)c1 ZINC001168521995 890311190 /nfs/dbraw/zinc/31/11/90/890311190.db2.gz NAJRWBLSOVQQER-UHFFFAOYSA-N -1 3 382.807 3.649 20 30 GHEDHM CC(C)c1noc2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)cc21 ZINC000916907930 890404480 /nfs/dbraw/zinc/40/44/80/890404480.db2.gz DBCSLOZYQZUFRT-CYBMUJFWSA-N -1 3 382.807 3.961 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000917509034 892107316 /nfs/dbraw/zinc/10/73/16/892107316.db2.gz IZCRSADITQXSIX-AWEZNQCLSA-N -1 3 375.409 3.664 20 30 GHEDHM Cc1ccc(C(=O)Nc2cccc(C/N=C\c3c([O-])c(C)ncc3CO)c2)cc1 ZINC000917557237 892205617 /nfs/dbraw/zinc/20/56/17/892205617.db2.gz BXAJUAXJUOLHRZ-CFRMEGHHSA-N -1 3 389.455 3.768 20 30 GHEDHM COc1ccccc1[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000609263061 892238498 /nfs/dbraw/zinc/23/84/98/892238498.db2.gz HCVKSJOOCUFDDV-HXUWFJFHSA-N 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3 385.456 3.893 20 30 GHEDHM N#Cc1ccc(NC(=S)Nc2ccc(I)cc2[O-])cc1 ZINC001245923841 1037059525 /nfs/dbraw/zinc/05/95/25/1037059525.db2.gz LUWSWYUWWIGIGT-UHFFFAOYSA-N -1 3 395.225 3.677 20 30 GHEDHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2Br)cc1 ZINC001251986643 1038794792 /nfs/dbraw/zinc/79/47/92/1038794792.db2.gz VLSYSFCEEYFZDI-UHFFFAOYSA-N -1 3 394.294 3.814 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2[O-])C[C@H]1C(F)(F)F ZINC001233387411 1039212460 /nfs/dbraw/zinc/21/24/60/1039212460.db2.gz ICHSAGVZARSQCG-HUUCEWRRSA-N -1 3 399.413 3.541 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001233804372 1039628828 /nfs/dbraw/zinc/62/88/28/1039628828.db2.gz YVOUSJXUMNYZHY-RHLNUJDMSA-N -1 3 378.469 3.918 20 30 GHEDHM Clc1cc2c(c(Br)c1)CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC001253685584 1039764277 /nfs/dbraw/zinc/76/42/77/1039764277.db2.gz LHTOPTNBPJFCPD-UHFFFAOYSA-N -1 3 377.633 3.531 20 30 GHEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001277830340 1039818142 /nfs/dbraw/zinc/81/81/42/1039818142.db2.gz QCWDTRKSJGWXJK-CQSZACIVSA-N -1 3 396.318 3.721 20 30 GHEDHM C#C[C@H](Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C)c1ccncc1 ZINC001234175649 1039909837 /nfs/dbraw/zinc/90/98/37/1039909837.db2.gz KDORZSUBKQWKIP-SFHVURJKSA-N -1 3 386.407 3.554 20 30 GHEDHM COc1cc(O[C@H](C)CS)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234788507 1040319378 /nfs/dbraw/zinc/31/93/78/1040319378.db2.gz WZLDDNSACMYYKF-LLVKDONJSA-N -1 3 388.441 3.880 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(OC(F)(F)F)ccc1Cl ZINC001258278853 1044488356 /nfs/dbraw/zinc/48/83/56/1044488356.db2.gz HOQFUIOMTRFLBF-UHFFFAOYSA-N -1 3 376.743 3.911 20 30 GHEDHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)[C@@H](O)c1c(F)cccc1F ZINC001294811555 1044807651 /nfs/dbraw/zinc/80/76/51/1044807651.db2.gz OSMCULSRCHBXGY-NVXWUHKLSA-N -1 3 380.341 3.557 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Br)c1 ZINC001258909215 1044861093 /nfs/dbraw/zinc/86/10/93/1044861093.db2.gz FLRONRFOBRJUFU-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1F)c1cc(F)c(F)c(F)c1 ZINC001259500923 1045206663 /nfs/dbraw/zinc/20/66/63/1045206663.db2.gz PNBUWHJINFJFKH-UHFFFAOYSA-N -1 3 389.248 3.942 20 30 GHEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2C)cc1 ZINC001259565880 1045235180 /nfs/dbraw/zinc/23/51/80/1045235180.db2.gz SEGZIAPDSDLPLE-UHFFFAOYSA-N -1 3 397.500 3.795 20 30 GHEDHM N#Cc1coc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC001260277192 1045439056 /nfs/dbraw/zinc/43/90/56/1045439056.db2.gz VQAHRBVHHAFKDQ-UHFFFAOYSA-N -1 3 398.284 3.667 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCCC1 ZINC001260886907 1045742311 /nfs/dbraw/zinc/74/23/11/1045742311.db2.gz YONXGINCSCZMJT-UHFFFAOYSA-N -1 3 397.216 3.583 20 30 GHEDHM O=S(=O)([N-]C1(C(F)(F)F)CCCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC001261022113 1045849113 /nfs/dbraw/zinc/84/91/13/1045849113.db2.gz VYRRDBBQVUFFGU-UHFFFAOYSA-N -1 3 379.297 3.998 20 30 GHEDHM O=C(CN1c2ccccc2OCCC1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306892404 1048948110 /nfs/dbraw/zinc/94/81/10/1048948110.db2.gz DRBACDDJZSQLRE-UHFFFAOYSA-N -1 3 395.242 3.527 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC001327586712 1050224528 /nfs/dbraw/zinc/22/45/28/1050224528.db2.gz BTTQFDZYKPTWRG-UHFFFAOYSA-N -1 3 390.424 3.612 20 30 GHEDHM COc1cc(F)c(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)cc1F ZINC001309530285 1050787824 /nfs/dbraw/zinc/78/78/24/1050787824.db2.gz FVRVDKQBNYIYGS-MRXNPFEDSA-N -1 3 380.416 3.687 20 30 GHEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC(F)(F)CC[C@H]1C ZINC001342302096 1053089248 /nfs/dbraw/zinc/08/92/48/1053089248.db2.gz AFBSERKENQWGTN-GFCCVEGCSA-N -1 3 390.438 3.518 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cccc3c[nH]nc32)cc1 ZINC001322050101 1056492022 /nfs/dbraw/zinc/49/20/22/1056492022.db2.gz TZYIFPSEOWVCLW-UHFFFAOYSA-N -1 3 391.456 3.810 20 30 GHEDHM CCc1c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cnn1CC(C)C ZINC001342166359 1061100145 /nfs/dbraw/zinc/10/01/45/1061100145.db2.gz OVCSMDNICRNWLE-SFHVURJKSA-N -1 3 375.476 3.836 20 30 GHEDHM Cc1nn(C)c(C)c1-c1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)[nH]n1 ZINC001457995765 1063496229 /nfs/dbraw/zinc/49/62/29/1063496229.db2.gz OGVALGXXPLEVFN-UHFFFAOYSA-N -1 3 394.262 3.765 20 30 GHEDHM CCOc1ccc(N2C[C@H](C(=O)N([O-])Cc3ccccc3Cl)CC2=O)cc1 ZINC001458001696 1063500649 /nfs/dbraw/zinc/50/06/49/1063500649.db2.gz FSKDMCXAAQXVIB-OAHLLOKOSA-N -1 3 388.851 3.510 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N([O-])Cc1ccccc1Cl ZINC001458003623 1063501500 /nfs/dbraw/zinc/50/15/00/1063501500.db2.gz QLXXNNBDTKOQPV-ZDUSSCGKSA-N -1 3 379.243 3.764 20 30 GHEDHM CCCCN([O-])C(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC001458012897 1063506973 /nfs/dbraw/zinc/50/69/73/1063506973.db2.gz YPIJLEHHOXNTSH-AWEZNQCLSA-N -1 3 393.336 3.863 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2(CCC)CCC)ccc1F ZINC001439032783 1064161482 /nfs/dbraw/zinc/16/14/82/1064161482.db2.gz SGFGITLFIUMIEE-UHFFFAOYSA-N -1 3 396.528 3.865 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)cc1Cl ZINC001463663120 1064537183 /nfs/dbraw/zinc/53/71/83/1064537183.db2.gz ADFXNESALPVBTC-UHFFFAOYSA-N -1 3 391.226 3.935 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2scc3c2OCCO3)cc1 ZINC000847624099 1065776672 /nfs/dbraw/zinc/77/66/72/1065776672.db2.gz RSPAZZYCJHOTNO-HNNXBMFYSA-N -1 3 384.457 3.823 20 30 GHEDHM C=C(C)c1cccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001467475512 1067316065 /nfs/dbraw/zinc/31/60/65/1067316065.db2.gz LRUOFLKERQVAPY-UHFFFAOYSA-N -1 3 377.441 3.552 20 30 GHEDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N([O-])Cc1ccccc1Cl)C2 ZINC001472619750 1073579137 /nfs/dbraw/zinc/57/91/37/1073579137.db2.gz FCLNNXAEDSRHCJ-YCPHGPKFSA-N -1 3 380.872 3.846 20 30 GHEDHM CCOc1ccc(N2C[C@@H](C(=O)N([O-])CCCCc3ccccc3)CC2=O)cc1 ZINC001472620074 1073580753 /nfs/dbraw/zinc/58/07/53/1073580753.db2.gz NTNBBHOVRURNNA-IBGZPJMESA-N -1 3 396.487 3.679 20 30 GHEDHM C[C@H](NC(=O)OCc1ccccc1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001472622498 1073582181 /nfs/dbraw/zinc/58/21/81/1073582181.db2.gz LWOPXVAMJBJLFF-INIZCTEOSA-N -1 3 378.428 3.873 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccc(Cl)cc1 ZINC001475365418 1074850757 /nfs/dbraw/zinc/85/07/57/1074850757.db2.gz FYMVAKJYQVTNCQ-AWEZNQCLSA-N -1 3 399.255 3.863 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735408005 598838481 /nfs/dbraw/zinc/83/84/81/598838481.db2.gz DUGNGFGOQORAMV-UHFFFAOYSA-N -1 3 395.463 3.857 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735408005 598838483 /nfs/dbraw/zinc/83/84/83/598838483.db2.gz DUGNGFGOQORAMV-UHFFFAOYSA-N -1 3 395.463 3.857 20 30 GHEDHM CSCCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737182012 598909943 /nfs/dbraw/zinc/90/99/43/598909943.db2.gz OJICVWNNHCSMBW-CQSZACIVSA-N -1 3 398.517 3.700 20 30 GHEDHM CSCCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737182012 598909945 /nfs/dbraw/zinc/90/99/45/598909945.db2.gz OJICVWNNHCSMBW-CQSZACIVSA-N -1 3 398.517 3.700 20 30 GHEDHM N#Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)o2)ccc1-c1nnn[n-]1 ZINC000737706149 598921213 /nfs/dbraw/zinc/92/12/13/598921213.db2.gz WHEHXBWVAUFNOT-UHFFFAOYSA-N -1 3 384.399 3.570 20 30 GHEDHM N#Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)o2)ccc1-c1nn[n-]n1 ZINC000737706149 598921215 /nfs/dbraw/zinc/92/12/15/598921215.db2.gz WHEHXBWVAUFNOT-UHFFFAOYSA-N -1 3 384.399 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000737720008 598927676 /nfs/dbraw/zinc/92/76/76/598927676.db2.gz XTHJVTIXHVUKGK-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000737720008 598927678 /nfs/dbraw/zinc/92/76/78/598927678.db2.gz XTHJVTIXHVUKGK-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM C=CCn1c(Sc2ncc(-c3nnn[n-]3)cc2Cl)nnc1-c1ccccc1 ZINC000735449608 598935344 /nfs/dbraw/zinc/93/53/44/598935344.db2.gz RNZCJRPNPGNNFC-UHFFFAOYSA-N -1 3 396.867 3.511 20 30 GHEDHM C=CCn1c(Sc2ncc(-c3nn[n-]n3)cc2Cl)nnc1-c1ccccc1 ZINC000735449608 598935345 /nfs/dbraw/zinc/93/53/45/598935345.db2.gz RNZCJRPNPGNNFC-UHFFFAOYSA-N -1 3 396.867 3.511 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000735418556 599059352 /nfs/dbraw/zinc/05/93/52/599059352.db2.gz GQIDWZPCZVYUSB-KRWDZBQOSA-N -1 3 390.491 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000735418556 599059355 /nfs/dbraw/zinc/05/93/55/599059355.db2.gz GQIDWZPCZVYUSB-KRWDZBQOSA-N -1 3 390.491 3.676 20 30 GHEDHM Cc1cc(NCc2cc(C#N)ccc2F)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209705 599070471 /nfs/dbraw/zinc/07/04/71/599070471.db2.gz SVBZWMFTCQTGRO-UHFFFAOYSA-N -1 3 398.405 3.599 20 30 GHEDHM Cc1cc(NCc2cc(C#N)ccc2F)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209705 599070473 /nfs/dbraw/zinc/07/04/73/599070473.db2.gz SVBZWMFTCQTGRO-UHFFFAOYSA-N -1 3 398.405 3.599 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000823504568 599112788 /nfs/dbraw/zinc/11/27/88/599112788.db2.gz RLKKPAJPHJAOGY-FLIBITNWSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000823504568 599112791 /nfs/dbraw/zinc/11/27/91/599112791.db2.gz RLKKPAJPHJAOGY-FLIBITNWSA-N -1 3 381.779 3.641 20 30 GHEDHM CCCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000821134218 599114915 /nfs/dbraw/zinc/11/49/15/599114915.db2.gz OOSISFGUDURXIS-WJDWOHSUSA-N -1 3 390.443 3.877 20 30 GHEDHM CCCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000821134218 599114916 /nfs/dbraw/zinc/11/49/16/599114916.db2.gz OOSISFGUDURXIS-WJDWOHSUSA-N -1 3 390.443 3.877 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CCc1ccccc1F ZINC000819744031 599145012 /nfs/dbraw/zinc/14/50/12/599145012.db2.gz UGFQAVJDLDXHGF-MRXNPFEDSA-N -1 3 393.466 3.789 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CCc1ccccc1F ZINC000819744031 599145015 /nfs/dbraw/zinc/14/50/15/599145015.db2.gz UGFQAVJDLDXHGF-MRXNPFEDSA-N -1 3 393.466 3.789 20 30 GHEDHM C=CC[C@H](NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409075 599147057 /nfs/dbraw/zinc/14/70/57/599147057.db2.gz BFKNIULECMFSSF-IBGZPJMESA-N -1 3 391.479 3.501 20 30 GHEDHM C=CC[C@H](NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409075 599147059 /nfs/dbraw/zinc/14/70/59/599147059.db2.gz BFKNIULECMFSSF-IBGZPJMESA-N -1 3 391.479 3.501 20 30 GHEDHM COc1ccc(C=C2CCOc3cc(C)c(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737083430 599155616 /nfs/dbraw/zinc/15/56/16/599155616.db2.gz ODYWCBGCGAVQSA-GDNBJRDFSA-N -1 3 376.416 3.541 20 30 GHEDHM COc1ccc(C=C2CCOc3cc(C)c(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737083430 599155617 /nfs/dbraw/zinc/15/56/17/599155617.db2.gz ODYWCBGCGAVQSA-GDNBJRDFSA-N -1 3 376.416 3.541 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000735418438 599159860 /nfs/dbraw/zinc/15/98/60/599159860.db2.gz DZYXHRXZNPURCT-HNNXBMFYSA-N -1 3 379.439 3.714 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000735418438 599159861 /nfs/dbraw/zinc/15/98/61/599159861.db2.gz DZYXHRXZNPURCT-HNNXBMFYSA-N -1 3 379.439 3.714 20 30 GHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735409691 599217533 /nfs/dbraw/zinc/21/75/33/599217533.db2.gz ISOYXIOTEHFDDG-CYBMUJFWSA-N -1 3 394.435 3.754 20 30 GHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735409691 599217535 /nfs/dbraw/zinc/21/75/35/599217535.db2.gz ISOYXIOTEHFDDG-CYBMUJFWSA-N -1 3 394.435 3.754 20 30 GHEDHM C=C(C)CNC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819722478 599230081 /nfs/dbraw/zinc/23/00/81/599230081.db2.gz JQRKSUGXIGGHRP-UHFFFAOYSA-N -1 3 384.440 3.661 20 30 GHEDHM C=C(C)CNC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819722478 599230083 /nfs/dbraw/zinc/23/00/83/599230083.db2.gz JQRKSUGXIGGHRP-UHFFFAOYSA-N -1 3 384.440 3.661 20 30 GHEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000736633621 598322198 /nfs/dbraw/zinc/32/21/98/598322198.db2.gz CINDTCPOSBCGDT-UHFFFAOYSA-N -1 3 399.867 3.599 20 30 GHEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000736633621 598322200 /nfs/dbraw/zinc/32/22/00/598322200.db2.gz CINDTCPOSBCGDT-UHFFFAOYSA-N -1 3 399.867 3.599 20 30 GHEDHM C=CCOc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735437067 598425342 /nfs/dbraw/zinc/42/53/42/598425342.db2.gz WOMRKLBUMMLFEE-UHFFFAOYSA-N -1 3 392.463 3.874 20 30 GHEDHM C=CCOc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735437067 598425343 /nfs/dbraw/zinc/42/53/43/598425343.db2.gz WOMRKLBUMMLFEE-UHFFFAOYSA-N -1 3 392.463 3.874 20 30 GHEDHM N#Cc1ccc(C=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000737711008 598547044 /nfs/dbraw/zinc/54/70/44/598547044.db2.gz DNAQUKFQLGIYFD-NTMALXAHSA-N -1 3 380.411 3.883 20 30 GHEDHM N#Cc1ccc(C=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000737711008 598547046 /nfs/dbraw/zinc/54/70/46/598547046.db2.gz DNAQUKFQLGIYFD-NTMALXAHSA-N -1 3 380.411 3.883 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000735420828 598582578 /nfs/dbraw/zinc/58/25/78/598582578.db2.gz UKXXFMARRDJIGG-UHFFFAOYSA-N -1 3 399.458 3.878 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000735420828 598582580 /nfs/dbraw/zinc/58/25/80/598582580.db2.gz UKXXFMARRDJIGG-UHFFFAOYSA-N -1 3 399.458 3.878 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736490195 598640406 /nfs/dbraw/zinc/64/04/06/598640406.db2.gz HSVBXMCPRDGCNQ-FLIBITNWSA-N -1 3 377.448 3.608 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736490195 598640408 /nfs/dbraw/zinc/64/04/08/598640408.db2.gz HSVBXMCPRDGCNQ-FLIBITNWSA-N -1 3 377.448 3.608 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)Cc1ccccc1 ZINC000735418342 598762669 /nfs/dbraw/zinc/76/26/69/598762669.db2.gz BDWMERSVLNZRMK-LJQANCHMSA-N -1 3 375.476 3.650 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)Cc1ccccc1 ZINC000735418342 598762671 /nfs/dbraw/zinc/76/26/71/598762671.db2.gz BDWMERSVLNZRMK-LJQANCHMSA-N -1 3 375.476 3.650 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)c(Cl)c1 ZINC000737804968 599459504 /nfs/dbraw/zinc/45/95/04/599459504.db2.gz FEFVJWAGXAUTTN-HWKANZROSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)c(Cl)c1 ZINC000737804968 599459505 /nfs/dbraw/zinc/45/95/05/599459505.db2.gz FEFVJWAGXAUTTN-HWKANZROSA-N -1 3 385.214 3.717 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000735419913 599613485 /nfs/dbraw/zinc/61/34/85/599613485.db2.gz JXKPFAUPEIDAAC-QGZVFWFLSA-N -1 3 390.491 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000735419913 599613487 /nfs/dbraw/zinc/61/34/87/599613487.db2.gz JXKPFAUPEIDAAC-QGZVFWFLSA-N -1 3 390.491 3.676 20 30 GHEDHM C=CCC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733849 607390458 /nfs/dbraw/zinc/39/04/58/607390458.db2.gz CPMNQHGKMDKIKY-BEFAXECRSA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733849 607390459 /nfs/dbraw/zinc/39/04/59/607390459.db2.gz CPMNQHGKMDKIKY-BEFAXECRSA-N -1 3 376.464 3.934 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064245 601237091 /nfs/dbraw/zinc/23/70/91/601237091.db2.gz QJEBTOUORHGJET-GYSYKLTISA-N -1 3 396.415 3.540 20 30 GHEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1ccsc1C(=O)[O-] ZINC000825710802 601808616 /nfs/dbraw/zinc/80/86/16/601808616.db2.gz BNLDVMIPRYUVRF-UHFFFAOYSA-N -1 3 392.550 3.545 20 30 GHEDHM COc1sc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826221972 607528349 /nfs/dbraw/zinc/52/83/49/607528349.db2.gz CQKHJNXQFMVCSD-SREVYHEPSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1sc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826221972 607528350 /nfs/dbraw/zinc/52/83/50/607528350.db2.gz CQKHJNXQFMVCSD-SREVYHEPSA-N -1 3 391.250 3.595 20 30 GHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Br ZINC000819773553 606835807 /nfs/dbraw/zinc/83/58/07/606835807.db2.gz UGLFZESSPRNCSQ-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Br ZINC000819773553 606835809 /nfs/dbraw/zinc/83/58/09/606835809.db2.gz UGLFZESSPRNCSQ-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(C)(C)C#N ZINC000824723351 607806151 /nfs/dbraw/zinc/80/61/51/607806151.db2.gz QIBRFBVATWJLPF-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(C)(C)C#N ZINC000824723351 607806152 /nfs/dbraw/zinc/80/61/52/607806152.db2.gz QIBRFBVATWJLPF-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM FC(F)(F)c1ccc(Cl)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826368433 607808287 /nfs/dbraw/zinc/80/82/87/607808287.db2.gz PJFUYOBIAYZKTA-UHFFFAOYSA-N -1 3 380.761 3.663 20 30 GHEDHM FC(F)(F)c1ccc(Cl)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826368433 607808288 /nfs/dbraw/zinc/80/82/88/607808288.db2.gz PJFUYOBIAYZKTA-UHFFFAOYSA-N -1 3 380.761 3.663 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475751 607843345 /nfs/dbraw/zinc/84/33/45/607843345.db2.gz PCUNEVZVSRVOGD-UXBLZVDNSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475751 607843346 /nfs/dbraw/zinc/84/33/46/607843346.db2.gz PCUNEVZVSRVOGD-UXBLZVDNSA-N -1 3 387.262 3.903 20 30 GHEDHM N#CCCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826381554 607846024 /nfs/dbraw/zinc/84/60/24/607846024.db2.gz PYWNKEDIYWXACC-UHFFFAOYSA-N -1 3 398.879 3.559 20 30 GHEDHM N#CCCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826381554 607846025 /nfs/dbraw/zinc/84/60/25/607846025.db2.gz PYWNKEDIYWXACC-UHFFFAOYSA-N -1 3 398.879 3.559 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)OCC ZINC000823872505 607880312 /nfs/dbraw/zinc/88/03/12/607880312.db2.gz AMABPFRPUKUBKG-LJQANCHMSA-N -1 3 378.432 3.810 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)OCC ZINC000823872505 607880313 /nfs/dbraw/zinc/88/03/13/607880313.db2.gz AMABPFRPUKUBKG-LJQANCHMSA-N -1 3 378.432 3.810 20 30 GHEDHM CCCn1nc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC000825361061 607887716 /nfs/dbraw/zinc/88/77/16/607887716.db2.gz AOKIWNHQXYMYQN-UHFFFAOYSA-N -1 3 392.389 3.555 20 30 GHEDHM CCCn1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC000825361061 607887717 /nfs/dbraw/zinc/88/77/17/607887717.db2.gz AOKIWNHQXYMYQN-UHFFFAOYSA-N -1 3 392.389 3.555 20 30 GHEDHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)Cc1ccc(Cl)cc1 ZINC000824384634 608259627 /nfs/dbraw/zinc/25/96/27/608259627.db2.gz FPXPNYZAESHHEY-GFCCVEGCSA-N -1 3 380.839 3.599 20 30 GHEDHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)Cc1ccc(Cl)cc1 ZINC000824384634 608259628 /nfs/dbraw/zinc/25/96/28/608259628.db2.gz FPXPNYZAESHHEY-GFCCVEGCSA-N -1 3 380.839 3.599 20 30 GHEDHM CSc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1F ZINC000826230249 608533961 /nfs/dbraw/zinc/53/39/61/608533961.db2.gz LAYCRKPFKSUEEY-UHFFFAOYSA-N -1 3 377.836 3.612 20 30 GHEDHM CSc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1F ZINC000826230249 608533962 /nfs/dbraw/zinc/53/39/62/608533962.db2.gz LAYCRKPFKSUEEY-UHFFFAOYSA-N -1 3 377.836 3.612 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1OC ZINC000826191158 609271597 /nfs/dbraw/zinc/27/15/97/609271597.db2.gz YLZORPJQWPTUGU-QPJJXVBHSA-N -1 3 388.786 3.573 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1OC ZINC000826191158 609271599 /nfs/dbraw/zinc/27/15/99/609271599.db2.gz YLZORPJQWPTUGU-QPJJXVBHSA-N -1 3 388.786 3.573 20 30 GHEDHM CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385843 609298310 /nfs/dbraw/zinc/29/83/10/609298310.db2.gz TZBYKUROUNUXIQ-LBPRGKRZSA-N -1 3 380.839 3.615 20 30 GHEDHM CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385843 609298312 /nfs/dbraw/zinc/29/83/12/609298312.db2.gz TZBYKUROUNUXIQ-LBPRGKRZSA-N -1 3 380.839 3.615 20 30 GHEDHM Cn1cc(C=CC(=O)c2cccc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359631 609307707 /nfs/dbraw/zinc/30/77/07/609307707.db2.gz MFBXFBYGIVBFHR-MDZDMXLPSA-N -1 3 390.834 3.817 20 30 GHEDHM Cn1cc(C=CC(=O)c2cccc(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359631 609307709 /nfs/dbraw/zinc/30/77/09/609307709.db2.gz MFBXFBYGIVBFHR-MDZDMXLPSA-N -1 3 390.834 3.817 20 30 GHEDHM Cc1ccc(-c2ncccc2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000187048685 834994337 /nfs/dbraw/zinc/99/43/37/834994337.db2.gz VXLCPDNPXFMJDY-UHFFFAOYSA-N -1 3 392.484 3.867 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc2cnccc21)c1cccc(C(F)(F)F)c1 ZINC000536126794 835030041 /nfs/dbraw/zinc/03/00/41/835030041.db2.gz FCAIWDNBBFOURK-MRXNPFEDSA-N -1 3 391.374 3.797 20 30 GHEDHM N#CCc1ccc(OCc2cccc(NC(=O)NCc3ncccc3[O-])c2)cc1 ZINC000471201216 835770675 /nfs/dbraw/zinc/77/06/75/835770675.db2.gz DFKDGDJMUCPCJZ-UHFFFAOYSA-N -1 3 388.427 3.754 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000165005802 835814282 /nfs/dbraw/zinc/81/42/82/835814282.db2.gz ITHWSPXRQNOKGR-JOCHJYFZSA-N -1 3 395.478 3.983 20 30 GHEDHM CC(C)Cn1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000892496957 836231402 /nfs/dbraw/zinc/23/14/02/836231402.db2.gz UAXNXOJDZTWIOS-GFCCVEGCSA-N -1 3 379.247 3.807 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(CC)c([N+](=O)[O-])c1 ZINC000177600221 836845804 /nfs/dbraw/zinc/84/58/04/836845804.db2.gz BXCZBKLQOSKTKN-OAHLLOKOSA-N -1 3 381.388 3.517 20 30 GHEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000177601529 837990775 /nfs/dbraw/zinc/99/07/75/837990775.db2.gz ZZWILAWHRHFULG-CYBMUJFWSA-N -1 3 389.770 3.911 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000177671918 838192496 /nfs/dbraw/zinc/19/24/96/838192496.db2.gz ZYGIIEQSUKZDJI-UHFFFAOYSA-N -1 3 375.472 3.655 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)s1 ZINC000610338922 838551769 /nfs/dbraw/zinc/55/17/69/838551769.db2.gz FHQXRSDNHPBLTL-JTQLQIEISA-N -1 3 385.308 3.730 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000046752426 839372308 /nfs/dbraw/zinc/37/23/08/839372308.db2.gz FDWYRSVXNXMDEL-UHFFFAOYSA-N -1 3 392.286 3.761 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000050186586 839413604 /nfs/dbraw/zinc/41/36/04/839413604.db2.gz CRJFQFYLHQPAHZ-UHFFFAOYSA-N -1 3 396.468 3.678 20 30 GHEDHM CCC1CC(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C(=O)C1 ZINC000194960958 840381041 /nfs/dbraw/zinc/38/10/41/840381041.db2.gz LVORBLIACRVTIL-UHFFFAOYSA-N -1 3 398.484 3.741 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCc3ccccc3)c2)c1 ZINC000121280076 840812262 /nfs/dbraw/zinc/81/22/62/840812262.db2.gz ZQDCMUFUXBTZIG-HXUWFJFHSA-N -1 3 385.423 3.930 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1Cl ZINC000127292141 842184485 /nfs/dbraw/zinc/18/44/85/842184485.db2.gz CKLYHBQEEOSCOP-UHFFFAOYSA-N -1 3 379.844 3.752 20 30 GHEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000585739385 842234797 /nfs/dbraw/zinc/23/47/97/842234797.db2.gz HHAMPEUQGRHZAR-UHFFFAOYSA-N -1 3 391.718 3.711 20 30 GHEDHM C=C1CCC(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000896627256 861292132 /nfs/dbraw/zinc/29/21/32/861292132.db2.gz LROUMXQBVHQNMR-UHFFFAOYSA-N -1 3 376.884 3.969 20 30 GHEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C(F)(F)F ZINC000053887513 842944424 /nfs/dbraw/zinc/94/44/24/842944424.db2.gz FDMBQQQSNFESQZ-UHFFFAOYSA-N -1 3 377.366 3.762 20 30 GHEDHM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000513563511 845671711 /nfs/dbraw/zinc/67/17/11/845671711.db2.gz SRFKLKIUDLIXNV-OAQYLSRUSA-N -1 3 393.487 3.753 20 30 GHEDHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(Cl)c3C#N)CCCC2)n1 ZINC000178543350 846640849 /nfs/dbraw/zinc/64/08/49/846640849.db2.gz ARTBMWHCERSVQE-UHFFFAOYSA-N -1 3 381.910 3.724 20 30 GHEDHM C=CCn1c(Sc2nc3ccccc3c(=O)[n-]2)nnc1-c1ccccc1OC ZINC000731920602 861959645 /nfs/dbraw/zinc/95/96/45/861959645.db2.gz UJWBNPJCCKWOMD-UHFFFAOYSA-N -1 3 391.456 3.940 20 30 GHEDHM C=CCn1c(Cc2ccccc2)nnc1Sc1nc2ccccc2c(=O)[n-]1 ZINC000731967286 861985142 /nfs/dbraw/zinc/98/51/42/861985142.db2.gz BEDNZWNANPTLIQ-UHFFFAOYSA-N -1 3 375.457 3.855 20 30 GHEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C(F)(F)F ZINC000174672303 850674166 /nfs/dbraw/zinc/67/41/66/850674166.db2.gz XEISSRIKEGRKHL-UHFFFAOYSA-N -1 3 377.366 3.762 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cccc(Cl)c2)CCCC1 ZINC000329741111 862285646 /nfs/dbraw/zinc/28/56/46/862285646.db2.gz OJRPUFRTZUISFY-UHFFFAOYSA-N -1 3 397.884 3.824 20 30 GHEDHM C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436492353 851969251 /nfs/dbraw/zinc/96/92/51/851969251.db2.gz VAGDLGFUAWSJKT-UHFFFAOYSA-N -1 3 379.460 3.501 20 30 GHEDHM COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1[O-] ZINC000436798706 852330587 /nfs/dbraw/zinc/33/05/87/852330587.db2.gz VGHDOKSHWRXBSL-UHFFFAOYSA-N -1 3 387.395 3.777 20 30 GHEDHM COC(=O)C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccc(OC)cc1 ZINC000732770234 862485067 /nfs/dbraw/zinc/48/50/67/862485067.db2.gz YCZOUFQPLKTRAC-IWEBCOIVSA-N -1 3 392.249 3.887 20 30 GHEDHM CC(=O)c1ccc(C#N)c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000273158120 855065945 /nfs/dbraw/zinc/06/59/45/855065945.db2.gz ARJMUEOZCBXJDV-UHFFFAOYSA-N -1 3 397.862 3.975 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000018009491 855632881 /nfs/dbraw/zinc/63/28/81/855632881.db2.gz LIFRUOGUWNDBFY-UHFFFAOYSA-N -1 3 392.286 3.761 20 30 GHEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000485941925 857233443 /nfs/dbraw/zinc/23/34/43/857233443.db2.gz QZLIPKFQXOVILL-CQSZACIVSA-N -1 3 388.798 3.836 20 30 GHEDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000521422342 857963714 /nfs/dbraw/zinc/96/37/14/857963714.db2.gz QYLNQMSYWDIUIE-GWCFXTLKSA-N -1 3 384.379 3.772 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000046894198 858611675 /nfs/dbraw/zinc/61/16/75/858611675.db2.gz DLQYOOBAPYFKIM-UHFFFAOYSA-N -1 3 379.460 3.756 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccccc2F)CCC1 ZINC000593207415 858979023 /nfs/dbraw/zinc/97/90/23/858979023.db2.gz URVXSJDWMRUCHR-UHFFFAOYSA-N -1 3 381.451 3.586 20 30 GHEDHM Cc1ccc2cc(CN=Nc3nc4c(cnn4C(C)(C)C)c(=O)[n-]3)ccc2n1 ZINC000783515947 859052037 /nfs/dbraw/zinc/05/20/37/859052037.db2.gz DYGXFCNFSRGEIS-UHFFFAOYSA-N -1 3 375.436 3.590 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593354863 859556991 /nfs/dbraw/zinc/55/69/91/859556991.db2.gz VJWHICMYSIBRLF-CYBMUJFWSA-N -1 3 381.451 3.536 20 30 GHEDHM CSCc1noc(CCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC000904179727 860187181 /nfs/dbraw/zinc/18/71/81/860187181.db2.gz BRHBZKNPFALWOO-UHFFFAOYSA-N -1 3 376.265 3.590 20 30 GHEDHM CCC[C@@H](CCCS(C)(=O)=O)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180010 860188075 /nfs/dbraw/zinc/18/80/75/860188075.db2.gz GVKAIPDSUXJATD-ZDUSSCGKSA-N -1 3 396.336 3.952 20 30 GHEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C)oc3C(F)(F)F)sc2C1 ZINC000598889480 860662320 /nfs/dbraw/zinc/66/23/20/860662320.db2.gz AEPOUNWADLKMID-UHFFFAOYSA-N -1 3 397.378 3.697 20 30 GHEDHM N#Cc1cc2c(nc1[N-]C(=O)c1nnn(-c3ccccc3)c1C(F)F)CCCC2 ZINC000594001065 863708826 /nfs/dbraw/zinc/70/88/26/863708826.db2.gz OBXXJZZPNBFKAW-UHFFFAOYSA-N -1 3 394.385 3.603 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000606930949 863953477 /nfs/dbraw/zinc/95/34/77/863953477.db2.gz JLKZFLYAMPCNOV-UHFFFAOYSA-N -1 3 388.349 3.730 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000173952554 865248528 /nfs/dbraw/zinc/24/85/28/865248528.db2.gz HIAKHUFAPLQCED-CYBMUJFWSA-N -1 3 397.740 3.637 20 30 GHEDHM C=C[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301611866 865455120 /nfs/dbraw/zinc/45/51/20/865455120.db2.gz RUPDURZBIITCGB-AWEZNQCLSA-N -1 3 375.450 3.999 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H](COCc2ccccc2)c2ccccc2)c1[O-] ZINC000740763487 866006140 /nfs/dbraw/zinc/00/61/40/866006140.db2.gz JTKAEHBHAICCMW-FJOJGSNPSA-N -1 3 376.456 3.965 20 30 GHEDHM C=CCC1(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCCC1 ZINC000456483706 866684070 /nfs/dbraw/zinc/68/40/70/866684070.db2.gz HVBXAVGCLMTATP-UHFFFAOYSA-N -1 3 383.448 3.807 20 30 GHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1C ZINC000479316776 867553895 /nfs/dbraw/zinc/55/38/95/867553895.db2.gz YCWIGCCDBBOXQR-UHFFFAOYSA-N -1 3 392.480 3.908 20 30 GHEDHM COc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2ccccc12 ZINC000744320248 868738702 /nfs/dbraw/zinc/73/87/02/868738702.db2.gz JJVFIYHYCUJDAU-UHFFFAOYSA-N -1 3 376.412 3.976 20 30 GHEDHM C#CCOc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000745218499 869388239 /nfs/dbraw/zinc/38/82/39/869388239.db2.gz XCXFPZOQBFYFTH-GFCCVEGCSA-N -1 3 382.441 3.944 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(Cl)c([N+](=O)[O-])c1 ZINC000766530031 871012022 /nfs/dbraw/zinc/01/20/22/871012022.db2.gz KOMBKCZDEUQCNM-UHFFFAOYSA-N -1 3 397.734 3.829 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000525672773 871213903 /nfs/dbraw/zinc/21/39/03/871213903.db2.gz QUWQVDFFJPNRKA-UHFFFAOYSA-N -1 3 399.535 3.796 20 30 GHEDHM C[C@](C#N)([N-]c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC001169391461 871462981 /nfs/dbraw/zinc/46/29/81/871462981.db2.gz YLVYJSRUQDTMGG-MRXNPFEDSA-N -1 3 379.825 3.503 20 30 GHEDHM COc1cc(C=NNc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1[O-] ZINC000767056987 872217172 /nfs/dbraw/zinc/21/71/72/872217172.db2.gz ZOOGWHNWABAFMX-UHFFFAOYSA-N -1 3 390.705 3.822 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182354487 872241615 /nfs/dbraw/zinc/24/16/15/872241615.db2.gz HQRKQIAEASMLTP-HSZRJFAPSA-N -1 3 398.462 3.898 20 30 GHEDHM C#CCC1([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CCCCC1 ZINC001195272136 872297388 /nfs/dbraw/zinc/29/73/88/872297388.db2.gz XXSRZKLXCHVJRJ-UHFFFAOYSA-N -1 3 391.514 3.692 20 30 GHEDHM COc1cccc(-c2cc(O)cc(C(=O)N([O-])C(=N)c3ccccc3N)c2)c1 ZINC001196388172 873067743 /nfs/dbraw/zinc/06/77/43/873067743.db2.gz AQSUHOKUWBZVCO-UHFFFAOYSA-N -1 3 377.400 3.507 20 30 GHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1Br ZINC001196680363 873281935 /nfs/dbraw/zinc/28/19/35/873281935.db2.gz KDQUUDXUXUOLHQ-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N2C[C@H]3C[C@@]3(CN(C)C)C2)c1 ZINC001197365229 873739613 /nfs/dbraw/zinc/73/96/13/873739613.db2.gz JFJDVLLKTCOMHL-WZONZLPQSA-N -1 3 386.536 3.959 20 30 GHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3ncc([O-])cc3Br)o2)cc1 ZINC001197388457 873759967 /nfs/dbraw/zinc/75/99/67/873759967.db2.gz YUQYTHDNKXMOOA-UHFFFAOYSA-N -1 3 384.189 3.934 20 30 GHEDHM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464416266 873803383 /nfs/dbraw/zinc/80/33/83/873803383.db2.gz AXNPPMXIIGBZFZ-AWEZNQCLSA-N -1 3 376.338 3.684 20 30 GHEDHM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc2ccccc2c1[O-] ZINC000769809097 874300345 /nfs/dbraw/zinc/30/03/45/874300345.db2.gz SBCOZRAJPQBSMJ-UHFFFAOYSA-N -1 3 390.447 3.982 20 30 GHEDHM N#CC(=C([O-])c1ccnc(OC2CCCCC2)c1)c1nnc2n1CCCCC2 ZINC000179801892 883029437 /nfs/dbraw/zinc/02/94/37/883029437.db2.gz MBPAOASJLHCPIW-QGZVFWFLSA-N -1 3 379.464 3.601 20 30 GHEDHM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2OC)cc(Br)c1[O-] ZINC000746680300 877357339 /nfs/dbraw/zinc/35/73/39/877357339.db2.gz RXWYBCMYAUONFD-UHFFFAOYSA-N -1 3 396.197 3.526 20 30 GHEDHM N#Cc1ccc(CN2CCCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cc1 ZINC000788266090 877954682 /nfs/dbraw/zinc/95/46/82/877954682.db2.gz TVFRYPYLUWYYAM-UHFFFAOYSA-N -1 3 391.496 3.827 20 30 GHEDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1C#N ZINC000789902634 879348677 /nfs/dbraw/zinc/34/86/77/879348677.db2.gz CRMXVUBSNJKRDV-INIZCTEOSA-N -1 3 378.350 3.891 20 30 GHEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000003535465 912466902 /nfs/dbraw/zinc/46/69/02/912466902.db2.gz BZDIPSRAPVQHHI-INIZCTEOSA-N -1 3 379.486 3.567 20 30 GHEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001275236311 912779272 /nfs/dbraw/zinc/77/92/72/912779272.db2.gz NJLPBUDDAXTQCQ-OAHLLOKOSA-N -1 3 396.318 3.721 20 30 GHEDHM N#CC(=C([O-])C=Cc1csc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000860484164 884726743 /nfs/dbraw/zinc/72/67/43/884726743.db2.gz XSYZJCLEWISMKS-FYJFLYSWSA-N -1 3 380.395 3.974 20 30 GHEDHM COc1cc(/C=C\C(=O)c2cn3c(n2)CCCC3)cc(Br)c1[O-] ZINC000806564370 884816436 /nfs/dbraw/zinc/81/64/36/884816436.db2.gz QPORMLCEIQMGPY-WAYWQWQTSA-N -1 3 377.238 3.592 20 30 GHEDHM COC(=O)CCOc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000747361948 885056312 /nfs/dbraw/zinc/05/63/12/885056312.db2.gz FLNMQAZJBCYYRN-UHFFFAOYSA-N -1 3 378.222 3.847 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cc(F)ncc2F)cc1 ZINC000807968885 885874873 /nfs/dbraw/zinc/87/48/73/885874873.db2.gz WJJGGUSXBWFWHH-UHFFFAOYSA-N -1 3 388.399 3.607 20 30 GHEDHM C[C@@H]([N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC000862032046 886068660 /nfs/dbraw/zinc/06/86/60/886068660.db2.gz XDBDBRFEHAFNPH-HZGVNTEJSA-N -1 3 385.239 3.995 20 30 GHEDHM C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000862557928 886463064 /nfs/dbraw/zinc/46/30/64/886463064.db2.gz KZBHFDQIFNWLLT-GOSISDBHSA-N -1 3 396.512 3.590 20 30 GHEDHM C=C(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccccc1 ZINC000644139231 913067021 /nfs/dbraw/zinc/06/70/21/913067021.db2.gz QBHWFPUPSYGZEV-UHFFFAOYSA-N -1 3 383.245 3.734 20 30 GHEDHM C#CCN(CC)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000919876128 886733415 /nfs/dbraw/zinc/73/34/15/886733415.db2.gz NEVGDZIYQYTXTM-UHFFFAOYSA-N -1 3 398.528 3.816 20 30 GHEDHM COCc1sccc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000870136938 890226638 /nfs/dbraw/zinc/22/66/38/890226638.db2.gz OLNUAJUCKNGXQP-LBPRGKRZSA-N -1 3 392.864 3.826 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000916905886 890402683 /nfs/dbraw/zinc/40/26/83/890402683.db2.gz NYGNLFIZKKGWHX-LBPRGKRZSA-N -1 3 387.779 3.608 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1-c1ccccc1F ZINC000916909684 890407698 /nfs/dbraw/zinc/40/76/98/890407698.db2.gz OASUNGBKXUCLBA-CYBMUJFWSA-N -1 3 396.809 3.934 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916937022 890429303 /nfs/dbraw/zinc/42/93/03/890429303.db2.gz AHCVRNRHWACLKY-SNVBAGLBSA-N -1 3 385.704 3.854 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(NC(=O)c3ccccc3)c2C)c1[O-] ZINC000917557283 892206551 /nfs/dbraw/zinc/20/65/51/892206551.db2.gz DKORGKGLGJVBDZ-UHFFFAOYSA-N -1 3 375.428 3.899 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000814054053 892221868 /nfs/dbraw/zinc/22/18/68/892221868.db2.gz YHZJQVOHZOVMPZ-YLJYHZDGSA-N -1 3 380.444 3.672 20 30 GHEDHM C=C[C@](C)(CC)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788473 893306084 /nfs/dbraw/zinc/30/60/84/893306084.db2.gz CNUHISZMSWEOPW-MRXNPFEDSA-N -1 3 380.242 3.653 20 30 GHEDHM CCOc1cc(CNc2cc(C#N)ccc2OCCOC)cc(Cl)c1[O-] ZINC000459480113 893594152 /nfs/dbraw/zinc/59/41/52/893594152.db2.gz LQJLARXXORILJK-UHFFFAOYSA-N -1 3 376.840 3.953 20 30 GHEDHM O=C(N[C@H]1CCN([O-])C1=O)c1oc2ccccc2c1CSc1cccs1 ZINC000816692273 895025979 /nfs/dbraw/zinc/02/59/79/895025979.db2.gz KFVCUUGERNUZSD-ZDUSSCGKSA-N -1 3 388.470 3.507 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000816754493 895052369 /nfs/dbraw/zinc/05/23/69/895052369.db2.gz GCUDQOQWCPUSCS-LBPRGKRZSA-N -1 3 385.272 3.832 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1F ZINC000568925491 898215384 /nfs/dbraw/zinc/21/53/84/898215384.db2.gz KANDVNWGUGNGFT-UHFFFAOYSA-N -1 3 399.403 3.694 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)ccc1C(F)(F)F ZINC000800034089 898521391 /nfs/dbraw/zinc/52/13/91/898521391.db2.gz NWUIZJUFTBDLHT-UHFFFAOYSA-N -1 3 395.406 3.978 20 30 GHEDHM C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823898966 899289956 /nfs/dbraw/zinc/28/99/56/899289956.db2.gz GRPOKAYMGQZLBW-HZPDHXFCSA-N -1 3 391.475 3.692 20 30 GHEDHM C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823898966 899289969 /nfs/dbraw/zinc/28/99/69/899289969.db2.gz GRPOKAYMGQZLBW-HZPDHXFCSA-N -1 3 391.475 3.692 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823893978 899309403 /nfs/dbraw/zinc/30/94/03/899309403.db2.gz CXAQMCJGJYIULU-ZDUSSCGKSA-N -1 3 397.508 3.780 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823893978 899309414 /nfs/dbraw/zinc/30/94/14/899309414.db2.gz CXAQMCJGJYIULU-ZDUSSCGKSA-N -1 3 397.508 3.780 20 30 GHEDHM COc1ccc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CCC2)cc1 ZINC000885411211 900487004 /nfs/dbraw/zinc/48/70/04/900487004.db2.gz WRAHIYLUWWUVSO-QFIPXVFZSA-N -1 3 393.487 3.875 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000131717416 903143761 /nfs/dbraw/zinc/14/37/61/903143761.db2.gz AQSFMOQQBYBXRD-UHFFFAOYSA-N -1 3 392.503 3.815 20 30 GHEDHM Cc1cnn(Cc2cc(C(=O)[N-]c3ccccc3SC[C@@H](C)C#N)no2)c1 ZINC000132634417 903287744 /nfs/dbraw/zinc/28/77/44/903287744.db2.gz BYLFMJZYXOBRBT-ZDUSSCGKSA-N -1 3 381.461 3.732 20 30 GHEDHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3cc(C4CC4)on3)c(C#N)c21 ZINC001146916804 903650073 /nfs/dbraw/zinc/65/00/73/903650073.db2.gz DDKBMEGTQGVKJX-LLVKDONJSA-N -1 3 385.445 3.720 20 30 GHEDHM Cc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1C(F)(F)F ZINC000578718423 904077331 /nfs/dbraw/zinc/07/73/31/904077331.db2.gz WWECNMLNJUREAZ-UHFFFAOYSA-N -1 3 384.383 3.631 20 30 GHEDHM C=CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000628482605 906167565 /nfs/dbraw/zinc/16/75/65/906167565.db2.gz TXOPULFJYFFYIL-HNNXBMFYSA-N -1 3 388.464 3.665 20 30 GHEDHM N#Cc1ccc(Cn2cc(NC(=O)c3cc([O-])cc(Br)c3)cn2)cc1 ZINC001174792502 907203821 /nfs/dbraw/zinc/20/38/21/907203821.db2.gz IXRGXWKMWCVWFI-UHFFFAOYSA-N -1 3 397.232 3.523 20 30 GHEDHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001175581033 907644839 /nfs/dbraw/zinc/64/48/39/907644839.db2.gz ZSRIWSMGRSPETE-HXUWFJFHSA-N -1 3 387.405 3.868 20 30 GHEDHM C[C@@]1(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)Cc2ccccc2C(=O)O1 ZINC000193769773 908695237 /nfs/dbraw/zinc/69/52/37/908695237.db2.gz AMJMYICBCZLTSU-QKKBWIMNSA-N -1 3 395.365 3.779 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000269359258 910234304 /nfs/dbraw/zinc/23/43/04/910234304.db2.gz OFUICKJHEQUBTR-UHFFFAOYSA-N -1 3 379.435 3.663 20 30 GHEDHM C[C@@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000773977037 911184968 /nfs/dbraw/zinc/18/49/68/911184968.db2.gz WTLIBVZSGOIFQB-AUUYWEPGSA-N -1 3 399.482 3.857 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](C)CC(=O)c2ccccc2)c(C)c1[O-] ZINC001182168835 911219764 /nfs/dbraw/zinc/21/97/64/911219764.db2.gz QQLFBOJEVHUTJA-CYBMUJFWSA-N -1 3 394.427 3.597 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cn2)cc1 ZINC000774055983 911304000 /nfs/dbraw/zinc/30/40/00/911304000.db2.gz XMTGKAZXSWMVPJ-HNNXBMFYSA-N -1 3 391.349 3.546 20 30 GHEDHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001183014694 912194700 /nfs/dbraw/zinc/19/47/00/912194700.db2.gz BAQQLSLKYRHTQL-GOSISDBHSA-N -1 3 379.416 3.694 20 30 GHEDHM Cc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC001186910075 914895464 /nfs/dbraw/zinc/89/54/64/914895464.db2.gz XIXCNMYVLRIRBQ-QGZVFWFLSA-N -1 3 387.461 3.841 20 30 GHEDHM COc1ccc(Cl)cc1[C@H](CC(C)C)[N-]S(=O)(=O)c1cccnc1C#N ZINC001187157131 915036999 /nfs/dbraw/zinc/03/69/99/915036999.db2.gz UGWRGPJOOAJNIS-HNNXBMFYSA-N -1 3 393.896 3.681 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)C ZINC001188027223 915719208 /nfs/dbraw/zinc/71/92/08/915719208.db2.gz GRXJWUBSZPLTFP-IBGZPJMESA-N -1 3 399.553 3.535 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2Br)c1 ZINC001190969958 917672390 /nfs/dbraw/zinc/67/23/90/917672390.db2.gz VLYJRHSLZVDULO-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1ccc([C@@H](Sc2nnc([N-]c3ccccc3F)s2)C(N)=O)cc1 ZINC000115185074 919442055 /nfs/dbraw/zinc/44/20/55/919442055.db2.gz FHJKYXHMBMYDSU-CQSZACIVSA-N -1 3 385.449 3.611 20 30 GHEDHM N#Cc1ccc([C@H](Sc2nnc([N-]c3ccccc3F)s2)C(N)=O)cc1 ZINC000115185072 919442406 /nfs/dbraw/zinc/44/24/06/919442406.db2.gz FHJKYXHMBMYDSU-AWEZNQCLSA-N -1 3 385.449 3.611 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 ZINC000297658220 919548669 /nfs/dbraw/zinc/54/86/69/919548669.db2.gz CGRWAIBAQOCRAG-ZJUUUORDSA-N -1 3 396.472 3.706 20 30 GHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@@H]1C ZINC000297915151 919955317 /nfs/dbraw/zinc/95/53/17/919955317.db2.gz RTNCXLZDIFWQFT-VXGBXAGGSA-N -1 3 381.461 3.791 20 30 GHEDHM O=C(/C=C/c1ccccc1)NCCC/N=C/c1cc(Br)ccc1[O-] ZINC000800721468 920395151 /nfs/dbraw/zinc/39/51/51/920395151.db2.gz NSVFKFUBSPMNLA-YAAFRJPRSA-N -1 3 387.277 3.793 20 30 GHEDHM O=C(NC1CC1)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000901378748 921055138 /nfs/dbraw/zinc/05/51/38/921055138.db2.gz PSCCWRPDEKKFQD-UHFFFAOYSA-N -1 3 379.243 3.917 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C(F)(F)F ZINC000751554123 928245898 /nfs/dbraw/zinc/24/58/98/928245898.db2.gz UKMIVJSEQXAYEK-UHFFFAOYSA-N -1 3 395.406 3.978 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCOc2c(F)cccc21 ZINC000797092886 932179006 /nfs/dbraw/zinc/17/90/06/932179006.db2.gz KNTHXSFECXTAHJ-GOSISDBHSA-N -1 3 384.407 3.805 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)ccc1OC(F)(F)F ZINC000799548863 933033469 /nfs/dbraw/zinc/03/34/69/933033469.db2.gz FLHYGCXPXBLEBA-UHFFFAOYSA-N -1 3 396.346 3.632 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC001122414475 934864872 /nfs/dbraw/zinc/86/48/72/934864872.db2.gz FNLOEHFAVFQIOZ-CQSZACIVSA-N -1 3 391.399 3.756 20 30 GHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nccn1Cc1ccccc1 ZINC001122625675 934925001 /nfs/dbraw/zinc/92/50/01/934925001.db2.gz VBCXWHFIKUHCEO-GOSISDBHSA-N -1 3 385.402 3.951 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCO2)c1[O-] ZINC001122927079 935033084 /nfs/dbraw/zinc/03/30/84/935033084.db2.gz OMAYIXNKNOMFOB-SJLPKXTDSA-N -1 3 395.507 3.687 20 30 GHEDHM C#Cc1ccc(C(=O)Nc2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC001573290986 946912660 /nfs/dbraw/zinc/91/26/60/946912660.db2.gz UKNBHYVPTYOJIW-UHFFFAOYSA-N -1 3 398.451 3.647 20 30 GHEDHM C#Cc1ccc(C(=O)Nc2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC001573290986 946912674 /nfs/dbraw/zinc/91/26/74/946912674.db2.gz UKNBHYVPTYOJIW-UHFFFAOYSA-N -1 3 398.451 3.647 20 30 GHEDHM C=C(C)c1cccc(NC(=O)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC001573295937 947032882 /nfs/dbraw/zinc/03/28/82/947032882.db2.gz WCDPOPYRTMGZET-MRXNPFEDSA-N -1 3 392.438 3.504 20 30 GHEDHM CN(Cc1ccc(F)c(C#N)c1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598517639 992636616 /nfs/dbraw/zinc/63/66/16/992636616.db2.gz PQBZTFXNALVKAY-MRXNPFEDSA-N -1 3 377.213 3.718 20 30 GHEDHM CCOCc1ccccc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000545635956 1016154338 /nfs/dbraw/zinc/15/43/38/1016154338.db2.gz COQLAHWPJPDLHM-UHFFFAOYSA-N -1 3 378.432 3.647 20 30 GHEDHM CCOC(=O)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1C ZINC001155907137 1032781930 /nfs/dbraw/zinc/78/19/30/1032781930.db2.gz RFODLCIZOBYFIY-UHFFFAOYSA-N -1 3 383.326 3.713 20 30 GHEDHM CCOC(=O)C=Cc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001155914502 1032791304 /nfs/dbraw/zinc/79/13/04/1032791304.db2.gz SXWHVLBYXJOVIH-ONNFQVAWSA-N -1 3 395.337 3.804 20 30 GHEDHM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2F)cc1CN1CCCC1 ZINC000835011450 1021767894 /nfs/dbraw/zinc/76/78/94/1021767894.db2.gz FRWBYDJIDLONKU-UHFFFAOYSA-N -1 3 385.439 3.964 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000835060346 1021831727 /nfs/dbraw/zinc/83/17/27/1021831727.db2.gz KMCNCJRAJCRCAT-OAHLLOKOSA-N -1 3 398.850 3.681 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1cccc([O-])c1Br)CCO2 ZINC001140548763 1021950015 /nfs/dbraw/zinc/95/00/15/1021950015.db2.gz SYHRDMBPPVNCQS-VQIMIIECSA-N -1 3 396.325 3.728 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001156765215 1033229249 /nfs/dbraw/zinc/22/92/49/1033229249.db2.gz CYZGBMJGGQDZNV-SRZZPIQSSA-N -1 3 387.896 3.916 20 30 GHEDHM [O-]c1ccc(Cl)cc1C=NN1C(=S)N=NC1COc1ccc(F)cc1 ZINC000839415160 1025899617 /nfs/dbraw/zinc/89/96/17/1025899617.db2.gz CEWPDTCMZAQCCH-UHFFFAOYSA-N -1 3 378.816 3.526 20 30 GHEDHM COc1ccccc1[C@H]1CCN(c2nc(SC)nc(Cl)c2/C=N/[O-])C1 ZINC001163807136 1026320839 /nfs/dbraw/zinc/32/08/39/1026320839.db2.gz SOCYAPRYEMTDRS-LOMXTUQMSA-N -1 3 378.885 3.663 20 30 GHEDHM Cc1c[nH]c(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)n1 ZINC001163862464 1026344378 /nfs/dbraw/zinc/34/43/78/1026344378.db2.gz DQLHYXBLENWZGH-UHFFFAOYSA-N -1 3 375.432 3.546 20 30 GHEDHM N#Cc1cc(Nc2ccc(I)c(F)c2C#N)ccc1[O-] ZINC001210535011 1027548780 /nfs/dbraw/zinc/54/87/80/1027548780.db2.gz VNTYYIXDXBTKJC-UHFFFAOYSA-N -1 3 379.132 3.623 20 30 GHEDHM N#Cc1cccc2[nH]nc(NC(=O)c3cnc4ccc(C(F)(F)F)cc4c3[O-])c21 ZINC001150463754 1030534482 /nfs/dbraw/zinc/53/44/82/1030534482.db2.gz KUCSHRABIYPGDA-UHFFFAOYSA-N -1 3 397.316 3.547 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)ccc1[O-] ZINC001150623256 1030591407 /nfs/dbraw/zinc/59/14/07/1030591407.db2.gz WBWTWPUZEIBDSQ-UHFFFAOYSA-N -1 3 384.189 3.532 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3c(cccc3C)[nH]2)c(C)c1[O-] ZINC001151077557 1030765018 /nfs/dbraw/zinc/76/50/18/1030765018.db2.gz LARCCPXFRQPTFV-UHFFFAOYSA-N -1 3 377.400 3.791 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3cc(O)ccc32)c(C)c1[O-] ZINC001152044296 1031086267 /nfs/dbraw/zinc/08/62/67/1031086267.db2.gz RUVZXLPUSXFHNZ-UHFFFAOYSA-N -1 3 390.395 3.860 20 30 GHEDHM CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccccc3[O-])n2)c(C#N)c1 ZINC001248499405 1035918022 /nfs/dbraw/zinc/91/80/22/1035918022.db2.gz CVFUKAYIJOGTQC-UHFFFAOYSA-N -1 3 376.416 3.541 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001233804475 1039629354 /nfs/dbraw/zinc/62/93/54/1039629354.db2.gz ZVXVVFJCSJIXLB-VLEUPFFUSA-N -1 3 376.453 3.670 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(OC(C)(C)C)cc1 ZINC001253457042 1039650476 /nfs/dbraw/zinc/65/04/76/1039650476.db2.gz MSYGMKRYKQEHEP-UHFFFAOYSA-N -1 3 395.503 3.745 20 30 GHEDHM C#C[C@H](Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC)C(C)C ZINC001234756934 1040286207 /nfs/dbraw/zinc/28/62/07/1040286207.db2.gz GILBRDXRWBGRNI-HNNXBMFYSA-N -1 3 398.411 3.714 20 30 GHEDHM C#C[C@H](Oc1c(OC)cc2c(oc3cc(OC)cc([O-])c3c2=O)c1OC)C(C)C ZINC001234756934 1040286220 /nfs/dbraw/zinc/28/62/20/1040286220.db2.gz GILBRDXRWBGRNI-HNNXBMFYSA-N -1 3 398.411 3.714 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(F)c1 ZINC001254941073 1040680498 /nfs/dbraw/zinc/68/04/98/1040680498.db2.gz BRKIBBLXFITICU-UHFFFAOYSA-N -1 3 387.791 3.762 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c1 ZINC000444058986 1042622980 /nfs/dbraw/zinc/62/29/80/1042622980.db2.gz RPBFDUBTDLXDED-UHFFFAOYSA-N -1 3 389.908 3.998 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1Cl ZINC001258283550 1044491584 /nfs/dbraw/zinc/49/15/84/1044491584.db2.gz XUSRDHLSDOMRNY-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2F)c1 ZINC001259125728 1044972050 /nfs/dbraw/zinc/97/20/50/1044972050.db2.gz OWZJINVYQZPDLC-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM C[C@@](C#N)([N-]S(=O)(=O)c1ccc(OC(F)F)cc1)c1ccccc1Cl ZINC001259435770 1045152976 /nfs/dbraw/zinc/15/29/76/1045152976.db2.gz QENQVAAIGOZZDW-INIZCTEOSA-N -1 3 386.807 3.659 20 30 GHEDHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cc(F)c(F)c(C#N)c3F)ccc2O1 ZINC001260718564 1045625567 /nfs/dbraw/zinc/62/55/67/1045625567.db2.gz HLPVNVQDSVDOLC-UHFFFAOYSA-N -1 3 396.390 3.880 20 30 GHEDHM O=S(=O)([N-][C@@H](C1CCC1)C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC001261021106 1045847042 /nfs/dbraw/zinc/84/70/42/1045847042.db2.gz BELPCIWBLPBSAK-NSHDSACASA-N -1 3 379.297 3.854 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1coc(C=CC(=O)OC(C)(C)C)c1 ZINC001263616409 1046999698 /nfs/dbraw/zinc/99/96/98/1046999698.db2.gz WAMHQRHNQNQYOK-URWSZGRFSA-N -1 3 375.812 3.511 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(OCC)CC1 ZINC001342281003 1053071009 /nfs/dbraw/zinc/07/10/09/1053071009.db2.gz OYSUNGHMSRJZBN-UHFFFAOYSA-N -1 3 399.520 3.842 20 30 GHEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1C ZINC001343364746 1053728163 /nfs/dbraw/zinc/72/81/63/1053728163.db2.gz DHCAPXBBFKHOEG-KRWDZBQOSA-N -1 3 388.427 3.736 20 30 GHEDHM Cn1ccnc1C(C#N)=C([O-])c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001343842413 1054060930 /nfs/dbraw/zinc/06/09/30/1054060930.db2.gz MEDRQWXDGUKXPL-CQSZACIVSA-N -1 3 377.448 3.912 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2ccc(F)c(F)c2)c(C)c1[O-] ZINC001200697620 1056755950 /nfs/dbraw/zinc/75/59/50/1056755950.db2.gz WRDDAKCFQRPVIN-UHFFFAOYSA-N -1 3 391.399 3.836 20 30 GHEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnc(-c2ccccc2)o1 ZINC001322677360 1056795164 /nfs/dbraw/zinc/79/51/64/1056795164.db2.gz ULZVXZYPFXFRIW-INIZCTEOSA-N -1 3 396.472 3.563 20 30 GHEDHM C=CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccncc1 ZINC001323837484 1057021426 /nfs/dbraw/zinc/02/14/26/1057021426.db2.gz DYNLOZKOKZHYPM-AWEZNQCLSA-N -1 3 385.258 3.579 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@](C)(OC)CC1 ZINC001338791111 1058788145 /nfs/dbraw/zinc/78/81/45/1058788145.db2.gz ZHCVYGOYMWLPCV-FQEVSTJZSA-N -1 3 399.520 3.842 20 30 GHEDHM N#Cc1ccc(OC2CN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)cc1 ZINC001447481281 1059970388 /nfs/dbraw/zinc/97/03/88/1059970388.db2.gz XGXZQZTZALZIED-UHFFFAOYSA-N -1 3 384.435 3.758 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2cc(F)c(C#N)c(F)c2)s1 ZINC001448184225 1060128685 /nfs/dbraw/zinc/12/86/85/1060128685.db2.gz BZRVLSLKFYCLTL-UHFFFAOYSA-N -1 3 394.403 3.570 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001341738733 1060851407 /nfs/dbraw/zinc/85/14/07/1060851407.db2.gz DCKFTOFINMRGBQ-MGPUTAFESA-N -1 3 390.491 3.913 20 30 GHEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)[n-]n1 ZINC001452139305 1060905336 /nfs/dbraw/zinc/90/53/36/1060905336.db2.gz VWIQWASHZVNHII-UHFFFAOYSA-N -1 3 393.447 3.876 20 30 GHEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)n[n-]1 ZINC001452139305 1060905342 /nfs/dbraw/zinc/90/53/42/1060905342.db2.gz VWIQWASHZVNHII-UHFFFAOYSA-N -1 3 393.447 3.876 20 30 GHEDHM COC(=O)[C@]1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)C[C@@H]1c1ccccc1 ZINC001346146851 1061402759 /nfs/dbraw/zinc/40/27/59/1061402759.db2.gz BCDIIIFAUHKRHH-SPYBWZPUSA-N -1 3 388.345 3.624 20 30 GHEDHM O=C(Nc1c(F)cccc1F)C1(C(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC001457992147 1063491700 /nfs/dbraw/zinc/49/17/00/1063491700.db2.gz GKWGLSYHGDFUBS-UHFFFAOYSA-N -1 3 380.778 3.755 20 30 GHEDHM CCCCN([O-])C(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC001458012901 1063507897 /nfs/dbraw/zinc/50/78/97/1063507897.db2.gz YPIJLEHHOXNTSH-CQSZACIVSA-N -1 3 393.336 3.863 20 30 GHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc([O-])cc(Br)c1 ZINC001464361213 1064970520 /nfs/dbraw/zinc/97/05/20/1064970520.db2.gz QQHJKXUHZUOHLF-UHFFFAOYSA-N -1 3 376.250 3.992 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000847600001 1065723184 /nfs/dbraw/zinc/72/31/84/1065723184.db2.gz ZGCVGRARAZQXDA-ZDUSSCGKSA-N -1 3 381.860 3.961 20 30 GHEDHM Cc1c(C(=O)N([O-])CCCCc2ccccc2)nnn1Cc1ccc(F)cc1 ZINC001472619535 1073579876 /nfs/dbraw/zinc/57/98/76/1073579876.db2.gz PGNMEZVVBLREMO-UHFFFAOYSA-N -1 3 382.439 3.628 20 30 GHEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@@H](COCC(C)C)c1ccco1 ZINC001474916559 1074631070 /nfs/dbraw/zinc/63/10/70/1074631070.db2.gz SPWRRSZRWWEBMM-IBGZPJMESA-N -1 3 390.505 3.601 20 30 GHEDHM CC(C)(C)CC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001475310268 1074830021 /nfs/dbraw/zinc/83/00/21/1074830021.db2.gz TWHQZOAMOPAFCO-KRWDZBQOSA-N -1 3 394.537 3.514 20 30 GHEDHM C[C@@](Cc1ccc(F)cc1)(NCc1ccc(Br)cc1C#N)C(=O)[O-] ZINC001604222963 1126228824 /nfs/dbraw/zinc/22/88/24/1126228824.db2.gz QDMQRRYVMCUGEG-SFHVURJKSA-N -1 3 391.240 3.635 20 30 GHEDHM N#Cc1cc2c(nc1NCc1cccc(-c3ccc(-c4nnn[n-]4)s3)c1)CCC2 ZINC000737708720 598854630 /nfs/dbraw/zinc/85/46/30/598854630.db2.gz FTVOLLNLUTXRDQ-UHFFFAOYSA-N -1 3 399.483 3.963 20 30 GHEDHM CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736843442 598919413 /nfs/dbraw/zinc/91/94/13/598919413.db2.gz MFTMEWWKRPSNMR-UHFFFAOYSA-N -1 3 395.426 3.759 20 30 GHEDHM CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736843442 598919415 /nfs/dbraw/zinc/91/94/15/598919415.db2.gz MFTMEWWKRPSNMR-UHFFFAOYSA-N -1 3 395.426 3.759 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H]1CCCC[C@H]1C ZINC000735421405 598924157 /nfs/dbraw/zinc/92/41/57/598924157.db2.gz YQHUUCLLHUEBMH-AEFFLSMTSA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H]1CCCC[C@H]1C ZINC000735421405 598924159 /nfs/dbraw/zinc/92/41/59/598924159.db2.gz YQHUUCLLHUEBMH-AEFFLSMTSA-N -1 3 382.512 3.781 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000735447083 598924422 /nfs/dbraw/zinc/92/44/22/598924422.db2.gz ILIZNYUONFOYHY-DHZHZOJOSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000735447083 598924424 /nfs/dbraw/zinc/92/44/24/598924424.db2.gz ILIZNYUONFOYHY-DHZHZOJOSA-N -1 3 398.348 3.799 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccccc3)nc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504032 599114127 /nfs/dbraw/zinc/11/41/27/599114127.db2.gz LFUBVSPNBNEAGX-LICLKQGHSA-N -1 3 380.411 3.536 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccccc3)nc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504032 599114129 /nfs/dbraw/zinc/11/41/29/599114129.db2.gz LFUBVSPNBNEAGX-LICLKQGHSA-N -1 3 380.411 3.536 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000823504541 599115559 /nfs/dbraw/zinc/11/55/59/599115559.db2.gz RGHIIQROPUDKEJ-NTUHNPAUSA-N -1 3 394.818 3.504 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000823504541 599115562 /nfs/dbraw/zinc/11/55/62/599115562.db2.gz RGHIIQROPUDKEJ-NTUHNPAUSA-N -1 3 394.818 3.504 20 30 GHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)oc21 ZINC000737082003 599153538 /nfs/dbraw/zinc/15/35/38/599153538.db2.gz SVKZRXXNWCWEAK-SOFGYWHQSA-N -1 3 376.372 3.526 20 30 GHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)oc21 ZINC000737082003 599153540 /nfs/dbraw/zinc/15/35/40/599153540.db2.gz SVKZRXXNWCWEAK-SOFGYWHQSA-N -1 3 376.372 3.526 20 30 GHEDHM Cc1ccsc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737441290 599158418 /nfs/dbraw/zinc/15/84/18/599158418.db2.gz CRTOKIKVRVDGDK-FPLPWBNLSA-N -1 3 376.445 3.627 20 30 GHEDHM C=CCOc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735436639 598653885 /nfs/dbraw/zinc/65/38/85/598653885.db2.gz QFDHZIQTJZHWCP-UHFFFAOYSA-N -1 3 393.447 3.619 20 30 GHEDHM C=CCOc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735436639 598653886 /nfs/dbraw/zinc/65/38/86/598653886.db2.gz QFDHZIQTJZHWCP-UHFFFAOYSA-N -1 3 393.447 3.619 20 30 GHEDHM C[C@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189167 599333052 /nfs/dbraw/zinc/33/30/52/599333052.db2.gz ODVGBUFGVHMOHY-NSHDSACASA-N -1 3 398.879 3.825 20 30 GHEDHM C[C@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189167 599333053 /nfs/dbraw/zinc/33/30/53/599333053.db2.gz ODVGBUFGVHMOHY-NSHDSACASA-N -1 3 398.879 3.825 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822241295 599348002 /nfs/dbraw/zinc/34/80/02/599348002.db2.gz QXRVJTFHXZSGHA-OAHLLOKOSA-N -1 3 392.488 3.603 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822241295 599348005 /nfs/dbraw/zinc/34/80/05/599348005.db2.gz QXRVJTFHXZSGHA-OAHLLOKOSA-N -1 3 392.488 3.603 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c[nH]c2cc(Cl)ccc12 ZINC000737805102 599463955 /nfs/dbraw/zinc/46/39/55/599463955.db2.gz GVGDXHJSHFYJEM-HWKANZROSA-N -1 3 389.806 3.545 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c[nH]c2cc(Cl)ccc12 ZINC000737805102 599463958 /nfs/dbraw/zinc/46/39/58/599463958.db2.gz GVGDXHJSHFYJEM-HWKANZROSA-N -1 3 389.806 3.545 20 30 GHEDHM N#CCC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826381423 607395133 /nfs/dbraw/zinc/39/51/33/607395133.db2.gz LJFWYEPGPFAMTQ-HNNXBMFYSA-N -1 3 381.827 3.687 20 30 GHEDHM N#CCC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826381423 607395135 /nfs/dbraw/zinc/39/51/35/607395135.db2.gz LJFWYEPGPFAMTQ-HNNXBMFYSA-N -1 3 381.827 3.687 20 30 GHEDHM CCOc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737191377 600563430 /nfs/dbraw/zinc/56/34/30/600563430.db2.gz JSVPLWXTESKHIL-GOSISDBHSA-N -1 3 390.386 3.816 20 30 GHEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC1CCCC1 ZINC000832342051 601304273 /nfs/dbraw/zinc/30/42/73/601304273.db2.gz QXPFKYBZGOMXLD-OAQYLSRUSA-N -1 3 380.444 3.804 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000832935541 601870243 /nfs/dbraw/zinc/87/02/43/601870243.db2.gz NEEAPHVVBCFIQL-XMSQKQJNSA-N -1 3 393.487 3.602 20 30 GHEDHM COc1ccc(CNc2ccccc2SC[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC000826203756 607550736 /nfs/dbraw/zinc/55/07/36/607550736.db2.gz DXTJFRMPNAJQAN-CYBMUJFWSA-N -1 3 380.477 3.739 20 30 GHEDHM COc1ccc(CNc2ccccc2SC[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC000826203756 607550737 /nfs/dbraw/zinc/55/07/37/607550737.db2.gz DXTJFRMPNAJQAN-CYBMUJFWSA-N -1 3 380.477 3.739 20 30 GHEDHM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000740303543 602670733 /nfs/dbraw/zinc/67/07/33/602670733.db2.gz KQKXJOYZGVPUAU-GDBMZVCRSA-N -1 3 399.834 3.776 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826385191 607587799 /nfs/dbraw/zinc/58/77/99/607587799.db2.gz AWPQGPZRNOOWRP-UHFFFAOYSA-N -1 3 392.728 3.663 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826385191 607587800 /nfs/dbraw/zinc/58/78/00/607587800.db2.gz AWPQGPZRNOOWRP-UHFFFAOYSA-N -1 3 392.728 3.663 20 30 GHEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000833413460 605182967 /nfs/dbraw/zinc/18/29/67/605182967.db2.gz NCAUBAWTUIFFNL-SFHVURJKSA-N -1 3 385.851 3.592 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000819745373 606184206 /nfs/dbraw/zinc/18/42/06/606184206.db2.gz ABHVZRCKUKOAFO-UHFFFAOYSA-N -1 3 391.475 3.872 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000819745373 606184207 /nfs/dbraw/zinc/18/42/07/606184207.db2.gz ABHVZRCKUKOAFO-UHFFFAOYSA-N -1 3 391.475 3.872 20 30 GHEDHM N#Cc1ccc(C=C2CSCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825680 606389178 /nfs/dbraw/zinc/38/91/78/606389178.db2.gz LEZRMSNHSZWMFF-YOYBCKCWSA-N -1 3 397.510 3.644 20 30 GHEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822801406 606420669 /nfs/dbraw/zinc/42/06/69/606420669.db2.gz IZCVRRPVVUWWJQ-CABCVRRESA-N -1 3 399.380 3.557 20 30 GHEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000822801406 606420671 /nfs/dbraw/zinc/42/06/71/606420671.db2.gz IZCVRRPVVUWWJQ-CABCVRRESA-N -1 3 399.380 3.557 20 30 GHEDHM N#Cc1ccc(Cl)cc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822825615 606781411 /nfs/dbraw/zinc/78/14/11/606781411.db2.gz ITYSROWNOIXVCK-UHFFFAOYSA-N -1 3 377.738 3.572 20 30 GHEDHM N#Cc1ccc(Cl)cc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822825615 606781412 /nfs/dbraw/zinc/78/14/12/606781412.db2.gz ITYSROWNOIXVCK-UHFFFAOYSA-N -1 3 377.738 3.572 20 30 GHEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1ccccc1C#N ZINC000820550842 606852811 /nfs/dbraw/zinc/85/28/11/606852811.db2.gz ZXDDGXFLDXCPKH-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1ccccc1C#N ZINC000820550842 606852814 /nfs/dbraw/zinc/85/28/14/606852814.db2.gz ZXDDGXFLDXCPKH-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Br)cc1F ZINC000822924098 607122982 /nfs/dbraw/zinc/12/29/82/607122982.db2.gz XDYTVWGPGHBGAY-GORDUTHDSA-N -1 3 379.214 3.726 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)ccc1-c1nnn[n-]1 ZINC000826384488 607795841 /nfs/dbraw/zinc/79/58/41/607795841.db2.gz XQNRGEXGPJGGKA-UHFFFAOYSA-N -1 3 394.394 3.819 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)ccc1-c1nn[n-]n1 ZINC000826384488 607795842 /nfs/dbraw/zinc/79/58/42/607795842.db2.gz XQNRGEXGPJGGKA-UHFFFAOYSA-N -1 3 394.394 3.819 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476957 607885181 /nfs/dbraw/zinc/88/51/81/607885181.db2.gz SIXSRWBUYHGJGB-BJMVGYQFSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476957 607885182 /nfs/dbraw/zinc/88/51/82/607885182.db2.gz SIXSRWBUYHGJGB-BJMVGYQFSA-N -1 3 385.196 3.591 20 30 GHEDHM CC(N=Nc1c(F)cc(F)cc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000823953559 608094869 /nfs/dbraw/zinc/09/48/69/608094869.db2.gz GTPDSQDVKVNVGE-UHFFFAOYSA-N -1 3 399.224 3.805 20 30 GHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000823883221 608160495 /nfs/dbraw/zinc/16/04/95/608160495.db2.gz LJRKMCVIVYUPCF-LLVKDONJSA-N -1 3 398.810 3.727 20 30 GHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000823883221 608160497 /nfs/dbraw/zinc/16/04/97/608160497.db2.gz LJRKMCVIVYUPCF-LLVKDONJSA-N -1 3 398.810 3.727 20 30 GHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475527 608288780 /nfs/dbraw/zinc/28/87/80/608288780.db2.gz ISWSGVCQTNIKBT-WDZFZDKYSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475527 608288782 /nfs/dbraw/zinc/28/87/82/608288782.db2.gz ISWSGVCQTNIKBT-WDZFZDKYSA-N -1 3 385.196 3.591 20 30 GHEDHM N#Cc1ccc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)nn1 ZINC000826386071 608403869 /nfs/dbraw/zinc/40/38/69/608403869.db2.gz NUHCPBNDVRREIF-UHFFFAOYSA-N -1 3 390.794 3.718 20 30 GHEDHM COc1c(Cl)cc(Cl)cc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826167171 608539063 /nfs/dbraw/zinc/53/90/63/608539063.db2.gz SCDVXTNUDUPQTN-UHFFFAOYSA-N -1 3 398.641 3.677 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC(F)F)c1 ZINC000826190641 609271591 /nfs/dbraw/zinc/27/15/91/609271591.db2.gz IBOAYQOKNQCPAL-QPJJXVBHSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC(F)F)c1 ZINC000826190641 609271593 /nfs/dbraw/zinc/27/15/93/609271593.db2.gz IBOAYQOKNQCPAL-QPJJXVBHSA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826332200 609272319 /nfs/dbraw/zinc/27/23/19/609272319.db2.gz MPSUGBGVVCOXDY-ZHACJKMWSA-N -1 3 388.406 3.704 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826332200 609272320 /nfs/dbraw/zinc/27/23/20/609272320.db2.gz MPSUGBGVVCOXDY-ZHACJKMWSA-N -1 3 388.406 3.704 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958553 609277268 /nfs/dbraw/zinc/27/72/68/609277268.db2.gz QIPKKKAZHAHQSD-UHFFFAOYSA-N -1 3 394.332 3.783 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958553 609277269 /nfs/dbraw/zinc/27/72/69/609277269.db2.gz QIPKKKAZHAHQSD-UHFFFAOYSA-N -1 3 394.332 3.783 20 30 GHEDHM N#CCC1(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826381098 609386149 /nfs/dbraw/zinc/38/61/49/609386149.db2.gz XHQSMDSZPYBNAU-UHFFFAOYSA-N -1 3 375.388 3.510 20 30 GHEDHM N#CCC1(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826381098 609386151 /nfs/dbraw/zinc/38/61/51/609386151.db2.gz XHQSMDSZPYBNAU-UHFFFAOYSA-N -1 3 375.388 3.510 20 30 GHEDHM N#Cc1cccc(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826386621 609451054 /nfs/dbraw/zinc/45/10/54/609451054.db2.gz MJFXUKDZNLKUCW-UHFFFAOYSA-N -1 3 389.362 3.732 20 30 GHEDHM N#Cc1cccc(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826386621 609451055 /nfs/dbraw/zinc/45/10/55/609451055.db2.gz MJFXUKDZNLKUCW-UHFFFAOYSA-N -1 3 389.362 3.732 20 30 GHEDHM N#Cc1ccc(SCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000826385997 609451447 /nfs/dbraw/zinc/45/14/47/609451447.db2.gz KXEBLTVVJLSSFU-UHFFFAOYSA-N -1 3 389.362 3.732 20 30 GHEDHM N#Cc1ccc(SCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000826385997 609451448 /nfs/dbraw/zinc/45/14/48/609451448.db2.gz KXEBLTVVJLSSFU-UHFFFAOYSA-N -1 3 389.362 3.732 20 30 GHEDHM COc1ccccc1C(C)(C)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000278260930 834407612 /nfs/dbraw/zinc/40/76/12/834407612.db2.gz SKQBXNIDOXMMNY-UHFFFAOYSA-N -1 3 392.459 3.778 20 30 GHEDHM C[C@@H](c1ccncc1)N1CCC(/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000255088427 837803670 /nfs/dbraw/zinc/80/36/70/837803670.db2.gz YFQNWIDHSLMHOL-QGNWGPJTSA-N -1 3 388.855 3.993 20 30 GHEDHM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000569638961 835456099 /nfs/dbraw/zinc/45/60/99/835456099.db2.gz OYXFVRHOXARHMF-LBPRGKRZSA-N -1 3 379.338 3.712 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCOCC1 ZINC000657129067 844120293 /nfs/dbraw/zinc/12/02/93/844120293.db2.gz DVUPNJWIEOADRH-UHFFFAOYSA-N -1 3 394.718 3.506 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000047370719 844207417 /nfs/dbraw/zinc/20/74/17/844207417.db2.gz YMEDVPYRICBDRM-QFIPXVFZSA-N -1 3 395.478 3.983 20 30 GHEDHM C=CC1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183756952 839072494 /nfs/dbraw/zinc/07/24/94/839072494.db2.gz SQQBIRMEEOORFT-OAQYLSRUSA-N -1 3 378.472 3.678 20 30 GHEDHM C#Cc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)cn1 ZINC000728937196 844446204 /nfs/dbraw/zinc/44/62/04/844446204.db2.gz HCENDLFEIATVGB-VXGBXAGGSA-N -1 3 393.468 3.816 20 30 GHEDHM N#CCCn1cc(CN[C@@H](CC(=O)[O-])c2cccs2)c(-c2ccccc2)n1 ZINC000585731807 842221206 /nfs/dbraw/zinc/22/12/06/842221206.db2.gz DTGSQLMPDBYEAU-KRWDZBQOSA-N -1 3 380.473 3.831 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ncc(-c2ccccc2)o1 ZINC000120427276 843170117 /nfs/dbraw/zinc/17/01/17/843170117.db2.gz WPQPJBGBECHGHA-LBPRGKRZSA-N -1 3 387.848 3.906 20 30 GHEDHM COc1cc([C@H](C#N)NC(=O)c2cc([O-])c3ccccc3c2)cc(OC)c1OC ZINC000471941992 843738617 /nfs/dbraw/zinc/73/86/17/843738617.db2.gz IAQOGGNZSNLDGK-KRWDZBQOSA-N -1 3 392.411 3.566 20 30 GHEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Br ZINC000071845811 845587547 /nfs/dbraw/zinc/58/75/47/845587547.db2.gz JGZFFBJLQVDNPS-UHFFFAOYSA-N -1 3 388.265 3.506 20 30 GHEDHM COc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc(OC)c1[O-] ZINC000186798377 861618730 /nfs/dbraw/zinc/61/87/30/861618730.db2.gz HHQKHIAVEGRBLW-CYBMUJFWSA-N -1 3 381.215 3.711 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c(Cl)c1 ZINC000183002121 846204343 /nfs/dbraw/zinc/20/43/43/846204343.db2.gz OCMBUWGZGNAHCS-UHFFFAOYSA-N -1 3 399.255 3.827 20 30 GHEDHM N#Cc1cccc(COc2cccc(NC(=O)c3cc(F)cc4n[n-]nc43)c2)c1 ZINC000503164039 846844170 /nfs/dbraw/zinc/84/41/70/846844170.db2.gz FFEPWOXEFFHLBN-UHFFFAOYSA-N -1 3 387.374 3.800 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(-c2cccs2)n1 ZINC000017224241 849958317 /nfs/dbraw/zinc/95/83/17/849958317.db2.gz XAJJBIOGMQVJQF-UHFFFAOYSA-N -1 3 399.497 3.724 20 30 GHEDHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435204195 850228305 /nfs/dbraw/zinc/22/83/05/850228305.db2.gz VTVZCXWBMCIYEF-UHFFFAOYSA-N -1 3 383.395 3.752 20 30 GHEDHM O=C([N-]CCC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440412953 851171131 /nfs/dbraw/zinc/17/11/31/851171131.db2.gz TXWYFXHGBROZSN-UHFFFAOYSA-N -1 3 396.209 3.731 20 30 GHEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(Cl)c1 ZINC000436162884 851277342 /nfs/dbraw/zinc/27/73/42/851277342.db2.gz PLKBZOOXQVTWOD-UHFFFAOYSA-N -1 3 395.824 3.708 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438475982 852472061 /nfs/dbraw/zinc/47/20/61/852472061.db2.gz ZLVBFSKCUDZZFU-KBPBESRZSA-N -1 3 383.414 3.693 20 30 GHEDHM N#CC(=C([O-])C=Cc1ccccc1OC(F)(F)F)c1nnc2n1CCCCC2 ZINC000054727098 853508207 /nfs/dbraw/zinc/50/82/07/853508207.db2.gz XUWQBNVLFZIZLZ-HBWSCVEGSA-N -1 3 390.365 3.793 20 30 GHEDHM Cc1ncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C#N ZINC000326860915 855150686 /nfs/dbraw/zinc/15/06/86/855150686.db2.gz RGRVOLDPUGCFLD-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000055524754 855337471 /nfs/dbraw/zinc/33/74/71/855337471.db2.gz JPMCAAFAYXYZAD-QGZVFWFLSA-N -1 3 397.906 3.683 20 30 GHEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509220319 856031211 /nfs/dbraw/zinc/03/12/11/856031211.db2.gz PERSFHXJZDQLQA-YGRLFVJLSA-N -1 3 391.718 3.853 20 30 GHEDHM CCOc1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c([N+](=O)[O-])cc1OC ZINC000061198086 856456996 /nfs/dbraw/zinc/45/69/96/856456996.db2.gz JUQQERNGCZGTBX-UHFFFAOYSA-N -1 3 387.417 3.676 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccccc2)n1 ZINC000129029181 856693249 /nfs/dbraw/zinc/69/32/49/856693249.db2.gz LODKLRJMJYPPQJ-QGZVFWFLSA-N -1 3 388.427 3.541 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000281072950 862838117 /nfs/dbraw/zinc/83/81/17/862838117.db2.gz BEAIDMJRQHSXTM-UHFFFAOYSA-N -1 3 394.427 3.558 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000508112161 856939853 /nfs/dbraw/zinc/93/98/53/856939853.db2.gz LWQWFOFZODBTGO-MRXNPFEDSA-N -1 3 379.363 3.621 20 30 GHEDHM COc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)c(Br)c1[O-] ZINC000761011073 857260890 /nfs/dbraw/zinc/26/08/90/857260890.db2.gz HLPFMYZRRLMTSW-UHFFFAOYSA-N -1 3 380.198 3.826 20 30 GHEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000167805439 857646937 /nfs/dbraw/zinc/64/69/37/857646937.db2.gz QSUFJHWJNRLQMM-LBPRGKRZSA-N -1 3 375.787 3.622 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 ZINC000592673666 857975055 /nfs/dbraw/zinc/97/50/55/857975055.db2.gz IVGIQAPBWQPBLB-MRXNPFEDSA-N -1 3 389.459 3.653 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)s1 ZINC000594869746 858291942 /nfs/dbraw/zinc/29/19/42/858291942.db2.gz SRKMSZWHEGIEOD-UHFFFAOYSA-N -1 3 377.329 3.571 20 30 GHEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)CCCCC1 ZINC000194653867 859570422 /nfs/dbraw/zinc/57/04/22/859570422.db2.gz OBQLYBIPPYTBEI-UHFFFAOYSA-N -1 3 391.718 3.748 20 30 GHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484263604 859914430 /nfs/dbraw/zinc/91/44/30/859914430.db2.gz SKRCGASHYCSGPW-UHFFFAOYSA-N -1 3 384.382 3.643 20 30 GHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000123709243 860048698 /nfs/dbraw/zinc/04/86/98/860048698.db2.gz UWBCOHQFZGHRSS-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182658 860189681 /nfs/dbraw/zinc/18/96/81/860189681.db2.gz LDGBZFXALGCADT-UHFFFAOYSA-N -1 3 382.247 3.589 20 30 GHEDHM Cc1csc(-c2cccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2)n1 ZINC000124164719 860255491 /nfs/dbraw/zinc/25/54/91/860255491.db2.gz YQWIIIHYZDVYAF-MRXNPFEDSA-N -1 3 377.473 3.927 20 30 GHEDHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000509102498 861047703 /nfs/dbraw/zinc/04/77/03/861047703.db2.gz HRDJJWPNTYBAII-SUMWQHHRSA-N -1 3 378.881 3.772 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282625188 863262495 /nfs/dbraw/zinc/26/24/95/863262495.db2.gz BEIPLZMHZZXBEH-INIZCTEOSA-N -1 3 395.425 3.789 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)(C)C)ccc1F ZINC000071862607 864029154 /nfs/dbraw/zinc/02/91/54/864029154.db2.gz XSVYMBBFAPCPRN-UHFFFAOYSA-N -1 3 390.480 3.840 20 30 GHEDHM C=CCCCSc1nc2ccccc2c(=O)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000735412683 864778261 /nfs/dbraw/zinc/77/82/61/864778261.db2.gz ITRSULOQVJOSNU-UHFFFAOYSA-N -1 3 390.472 3.624 20 30 GHEDHM C=CCCCSc1nc2ccccc2c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735412683 864778266 /nfs/dbraw/zinc/77/82/66/864778266.db2.gz ITRSULOQVJOSNU-UHFFFAOYSA-N -1 3 390.472 3.624 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc2c(c1)CCCC2 ZINC000792926804 881817332 /nfs/dbraw/zinc/81/73/32/881817332.db2.gz RNXMDYNHZIYBOC-IBGZPJMESA-N -1 3 392.484 3.840 20 30 GHEDHM N#Cc1c(Cl)nc(Cl)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527877 865793597 /nfs/dbraw/zinc/79/35/97/865793597.db2.gz OBSIJHPDLQSHAF-UHFFFAOYSA-N -1 3 380.622 3.596 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000740811930 866028819 /nfs/dbraw/zinc/02/88/19/866028819.db2.gz JBBSJYWDURQWSM-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc(C#N)ccc3Cl)o2)cs1 ZINC000475565083 866319522 /nfs/dbraw/zinc/31/95/22/866319522.db2.gz ODDVURXOGWXCPH-UHFFFAOYSA-N -1 3 393.877 3.715 20 30 GHEDHM C[C@@]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)(C1CC1)C(F)(F)F ZINC000479166015 867268047 /nfs/dbraw/zinc/26/80/47/867268047.db2.gz YKCKLPCYYOMTJP-GFCCVEGCSA-N -1 3 386.317 3.586 20 30 GHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000920382936 882076111 /nfs/dbraw/zinc/07/61/11/882076111.db2.gz CRAAXBALUHRHOO-UHFFFAOYSA-N -1 3 375.252 3.976 20 30 GHEDHM CC[C@@]1(c2ccccc2)[N-]C(=O)N(N=Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000744766435 869067809 /nfs/dbraw/zinc/06/78/09/869067809.db2.gz QLOCARKSRAEZPV-SFHVURJKSA-N -1 3 397.303 3.573 20 30 GHEDHM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000442955583 869164778 /nfs/dbraw/zinc/16/47/78/869164778.db2.gz XVMQLVNKTZHNOK-NRFANRHFSA-N -1 3 377.488 3.781 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)c2ccccc2Oc2ccccc2C#N)[n-]1 ZINC000617874200 870986625 /nfs/dbraw/zinc/98/66/25/870986625.db2.gz ZVZRMVCAAOBZJM-UHFFFAOYSA-N -1 3 376.372 3.503 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)c2ccccc2Oc2ccccc2C#N)c[n-]1 ZINC000617874200 870986634 /nfs/dbraw/zinc/98/66/34/870986634.db2.gz ZVZRMVCAAOBZJM-UHFFFAOYSA-N -1 3 376.372 3.503 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)cc(C)c2Br)c1 ZINC001193689338 871238622 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386.883 3.910 20 30 GHEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000771261272 875148709 /nfs/dbraw/zinc/14/87/09/875148709.db2.gz MJGPIQLERPAVOO-MRXNPFEDSA-N -1 3 388.427 3.736 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Oc2ccncc2)cc1)c1ccc(F)cc1 ZINC001201634744 875777007 /nfs/dbraw/zinc/77/70/07/875777007.db2.gz PFWYJLAUFWXJMP-LJQANCHMSA-N -1 3 383.404 3.556 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000776280358 876170469 /nfs/dbraw/zinc/17/04/69/876170469.db2.gz PNHJYRVLGOJZHU-UHFFFAOYSA-N -1 3 389.289 3.690 20 30 GHEDHM COC(=O)[C@](C)(C/N=C/c1cc(Br)ccc1[O-])c1ccccc1 ZINC000787141942 877193869 /nfs/dbraw/zinc/19/38/69/877193869.db2.gz RBXGDECIIOGEHG-JLWFYQMASA-N -1 3 376.250 3.705 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000451019449 877195989 /nfs/dbraw/zinc/19/59/89/877195989.db2.gz RYUZEEZPGLLBNH-VXGBXAGGSA-N -1 3 380.819 3.805 20 30 GHEDHM CC(C)(C)OC(=O)C1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)CC=CC1 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AXTANQNGBAJVIZ-AWEZNQCLSA-N -1 3 392.369 3.717 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1[O-] ZINC000760212873 883594300 /nfs/dbraw/zinc/59/43/00/883594300.db2.gz SVDRBRFLZKRKPJ-MSXFZWOLSA-N -1 3 393.418 3.598 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC2(c3cccc(Br)c3)CCC2)c1[O-] ZINC000918714217 884216351 /nfs/dbraw/zinc/21/63/51/884216351.db2.gz WWKNMMWFKOJHSP-UFFVCSGVSA-N -1 3 389.293 3.891 20 30 GHEDHM N#Cc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cc1 ZINC000556329084 884486116 /nfs/dbraw/zinc/48/61/16/884486116.db2.gz CIHCOENITVDNHB-UHFFFAOYSA-N -1 3 393.204 3.823 20 30 GHEDHM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC001183888801 912875814 /nfs/dbraw/zinc/87/58/14/912875814.db2.gz ASERFGJWNGQXQI-UHFFFAOYSA-N -1 3 384.233 3.997 20 30 GHEDHM COc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1Cl ZINC000556565623 885482127 /nfs/dbraw/zinc/48/21/27/885482127.db2.gz CFBMPIUTWFTGDE-SNVBAGLBSA-N -1 3 376.750 3.978 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)ccc1C#N 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KTOOQYCEPXACCR-UHFFFAOYSA-N -1 3 379.298 3.614 20 30 GHEDHM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1NC(=O)c1ccco1 ZINC000043996998 899085678 /nfs/dbraw/zinc/08/56/78/899085678.db2.gz KTOOQYCEPXACCR-UHFFFAOYSA-N -1 3 379.298 3.614 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000118300401 899431203 /nfs/dbraw/zinc/43/12/03/899431203.db2.gz YBFNFYVVLKSKEU-HRAATJIYSA-N -1 3 395.528 3.501 20 30 GHEDHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc([O-])cc3C)c(C#N)c21 ZINC001186167026 914361278 /nfs/dbraw/zinc/36/12/78/914361278.db2.gz GJURKSPOSBUWLN-CQSZACIVSA-N -1 3 384.457 3.869 20 30 GHEDHM CC[C@@H](OCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000845085916 901738507 /nfs/dbraw/zinc/73/85/07/901738507.db2.gz BWZIWCTWRKULKU-HXUWFJFHSA-N -1 3 382.460 3.919 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845844557 902410063 /nfs/dbraw/zinc/41/00/63/902410063.db2.gz SCIXZHBBGNXIQL-GOSISDBHSA-N -1 3 390.395 3.567 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000263837935 902593045 /nfs/dbraw/zinc/59/30/45/902593045.db2.gz VPSYLDXSJWUOEH-UHFFFAOYSA-N -1 3 395.503 3.840 20 30 GHEDHM N#CC(=C([O-])c1ccc(C2CCCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000577668560 903027311 /nfs/dbraw/zinc/02/73/11/903027311.db2.gz KTXMOSHAIPIANR-IBGZPJMESA-N -1 3 398.470 3.597 20 30 GHEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2cc(Cl)nc(OC)n2)c(F)c1F ZINC001186712956 914741654 /nfs/dbraw/zinc/74/16/54/914741654.db2.gz HESRYMSKUFEMGS-UHFFFAOYSA-N -1 3 375.709 3.676 20 30 GHEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2ncc(C)cc2C(=O)OC)c(F)c1F ZINC001186713782 914743004 /nfs/dbraw/zinc/74/30/04/914743004.db2.gz SJNTUFFPMNZYQE-UHFFFAOYSA-N -1 3 382.313 3.714 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC001171366102 904353415 /nfs/dbraw/zinc/35/34/15/904353415.db2.gz SQLUGCUFUNQSJC-ZBEGNZNMSA-N -1 3 377.238 3.889 20 30 GHEDHM CC[C@@H](CC#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000188037635 904863265 /nfs/dbraw/zinc/86/32/65/904863265.db2.gz MAGURRWSZDFOJC-AWEZNQCLSA-N -1 3 390.436 3.784 20 30 GHEDHM Cc1ccc([C@]2(C)CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 ZINC000366127819 921308423 /nfs/dbraw/zinc/30/84/23/921308423.db2.gz QLDYFYADADAOCA-HSZRJFAPSA-N -1 3 377.488 3.707 20 30 GHEDHM CC(C)(C)c1cc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2F)c(C#N)s1 ZINC000271589010 910972276 /nfs/dbraw/zinc/97/22/76/910972276.db2.gz JGXLGJYFLSRPTD-UHFFFAOYSA-N -1 3 380.466 3.712 20 30 GHEDHM Cc1cccc2c(Cc3noc(CCc4c(C)[n-]c(=O)c(C#N)c4C)n3)c[nH]c21 ZINC000274024303 911187347 /nfs/dbraw/zinc/18/73/47/911187347.db2.gz VLFHUCCNVXICMD-UHFFFAOYSA-N -1 3 387.443 3.824 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1nc2ccccc2s1 ZINC001187028581 914958173 /nfs/dbraw/zinc/95/81/73/914958173.db2.gz CBFZCBLJKXXNTJ-SNVBAGLBSA-N -1 3 377.878 3.861 20 30 GHEDHM C#Cc1cc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)ccc1F ZINC001187464253 915274069 /nfs/dbraw/zinc/27/40/69/915274069.db2.gz QICGFAZNZVLPDR-UHFFFAOYSA-N -1 3 375.421 3.559 20 30 GHEDHM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC001189766222 916901623 /nfs/dbraw/zinc/90/16/23/916901623.db2.gz XHLTWKXXWJGCJY-UHFFFAOYSA-N -1 3 392.702 3.654 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1F ZINC001189981885 917041386 /nfs/dbraw/zinc/04/13/86/917041386.db2.gz GFSCLDYJPVKOAB-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1F ZINC001190187989 917150712 /nfs/dbraw/zinc/15/07/12/917150712.db2.gz AAHRYBXFQANWNI-HNNXBMFYSA-N -1 3 383.231 3.657 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)c1 ZINC001190617798 917422540 /nfs/dbraw/zinc/42/25/40/917422540.db2.gz QCSAZRXHPRVBGT-UHFFFAOYSA-N -1 3 379.722 3.565 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Br)cc1F ZINC001190650282 917480080 /nfs/dbraw/zinc/48/00/80/917480080.db2.gz CCIRCRLESRJEON-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CC(C)(O)C#Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001191189021 917841359 /nfs/dbraw/zinc/84/13/59/917841359.db2.gz NTRLQFZXILTNTQ-UHFFFAOYSA-N -1 3 394.858 3.646 20 30 GHEDHM Cc1n[n-]c(C)c1S(=O)(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000775473358 918133738 /nfs/dbraw/zinc/13/37/38/918133738.db2.gz XAZWMGHCELOKER-GFCCVEGCSA-N -1 3 382.791 3.559 20 30 GHEDHM O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N([O-])Cc1cccc2ccccc21 ZINC000901369895 921047083 /nfs/dbraw/zinc/04/70/83/921047083.db2.gz JDAZMBRLHFZLDL-FQEVSTJZSA-N -1 3 378.403 3.750 20 30 GHEDHM CC(=O)N1CCc2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)ccc21 ZINC000901379656 921057565 /nfs/dbraw/zinc/05/75/65/921057565.db2.gz AUBAMICCAMIAAS-UHFFFAOYSA-N -1 3 379.243 3.934 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2ccccc2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379961 921058566 /nfs/dbraw/zinc/05/85/66/921058566.db2.gz JFQRGZDUJACMGY-ZDUSSCGKSA-N -1 3 379.243 3.764 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(C)(C)COc1ccccc1 ZINC000802295645 921992470 /nfs/dbraw/zinc/99/24/70/921992470.db2.gz SJELBYKSIXBOKF-UHFFFAOYSA-N -1 3 382.460 3.857 20 30 GHEDHM CCc1cc2c(CN3CCC(C#N)(c4ccccn4)CC3)cc(=O)oc2cc1[O-] ZINC000369204080 923202627 /nfs/dbraw/zinc/20/26/27/923202627.db2.gz DSRDVNFJXBGUFN-UHFFFAOYSA-N -1 3 389.455 3.513 20 30 GHEDHM Cc1oc(-c2ccccc2)nc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000010717822 924347253 /nfs/dbraw/zinc/34/72/53/924347253.db2.gz CWNOJMHWQOTYRS-UHFFFAOYSA-N -1 3 391.427 3.503 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2cccc(Br)c2)c1[O-] ZINC000750950792 927945709 /nfs/dbraw/zinc/94/57/09/927945709.db2.gz IVEFGIZEQWVFTJ-UKWGHVSLSA-N -1 3 377.282 3.747 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)c2cccc(Br)c2)c1[O-] ZINC000750950791 927945876 /nfs/dbraw/zinc/94/58/76/927945876.db2.gz IVEFGIZEQWVFTJ-AWQFTUOYSA-N -1 3 377.282 3.747 20 30 GHEDHM CC(C)CN(CCC#N)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780915664 930637515 /nfs/dbraw/zinc/63/75/15/930637515.db2.gz VYZFUTTZKOQERJ-NRFANRHFSA-N -1 3 393.487 3.652 20 30 GHEDHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471089094 931142401 /nfs/dbraw/zinc/14/24/01/931142401.db2.gz OLDDELZKJILSFI-QPUJVOFHSA-N -1 3 390.274 3.569 20 30 GHEDHM COc1ccc(N=Cc2c([O-])c(C)ncc2CO)c(OCc2ccccc2)c1 ZINC000783935720 931722695 /nfs/dbraw/zinc/72/26/95/931722695.db2.gz SNEUWDBZSVDRAK-UHFFFAOYSA-N -1 3 378.428 3.926 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc([C@H]3CCCOC3)nc2C)cc1 ZINC000796742774 932050720 /nfs/dbraw/zinc/05/07/20/932050720.db2.gz CUEHUQYYLGZWNF-RDJZCZTQSA-N -1 3 397.500 3.869 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000798668914 932730616 /nfs/dbraw/zinc/73/06/16/932730616.db2.gz IFDFQABDYZUVIM-LBPRGKRZSA-N -1 3 393.365 3.927 20 30 GHEDHM CN(CC(=O)[N-]CC(F)(F)F)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000560173357 933111172 /nfs/dbraw/zinc/11/11/72/933111172.db2.gz FKWAOIYTKWJFQU-UHFFFAOYSA-N -1 3 396.253 3.835 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(-c3cc4ccccc4o3)o2)ccc1F ZINC001117233342 933901335 /nfs/dbraw/zinc/90/13/35/933901335.db2.gz OTDMBUUKAWCOKZ-UHFFFAOYSA-N -1 3 399.403 3.753 20 30 GHEDHM C#CCN(C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCc2ccccc21 ZINC001573281829 946681419 /nfs/dbraw/zinc/68/14/19/946681419.db2.gz CDOFOUBLWCQDQY-JTSKRJEESA-N -1 3 399.498 3.585 20 30 GHEDHM C#CCN(C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCc2ccccc21 ZINC001573281829 946681423 /nfs/dbraw/zinc/68/14/23/946681423.db2.gz CDOFOUBLWCQDQY-JTSKRJEESA-N -1 3 399.498 3.585 20 30 GHEDHM C#Cc1cccc(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC001573289677 946890149 /nfs/dbraw/zinc/89/01/49/946890149.db2.gz BATLFMHAWDKDSU-UHFFFAOYSA-N -1 3 395.422 3.570 20 30 GHEDHM C#Cc1cccc(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC001573289677 946890164 /nfs/dbraw/zinc/89/01/64/946890164.db2.gz BATLFMHAWDKDSU-UHFFFAOYSA-N -1 3 395.422 3.570 20 30 GHEDHM C=C(C)c1cccc(NC(=O)N(C)CCOCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573294513 946989772 /nfs/dbraw/zinc/98/97/72/946989772.db2.gz GRFYRYOSTZYAEV-UHFFFAOYSA-N -1 3 392.463 3.580 20 30 GHEDHM C=C(C)c1cccc(NC(=O)N(C)CCOCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573294513 946989778 /nfs/dbraw/zinc/98/97/78/946989778.db2.gz GRFYRYOSTZYAEV-UHFFFAOYSA-N -1 3 392.463 3.580 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001573294888 947001062 /nfs/dbraw/zinc/00/10/62/947001062.db2.gz LVCGGFJJVCNQHO-CRAIPNDOSA-N -1 3 392.511 3.716 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001573294888 947001071 /nfs/dbraw/zinc/00/10/71/947001071.db2.gz LVCGGFJJVCNQHO-CRAIPNDOSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CC(C)(C)CNC(=O)Nc1cnc(Oc2ccccc2-c2nnn[n-]2)cc1C ZINC001573307672 947182448 /nfs/dbraw/zinc/18/24/48/947182448.db2.gz UZTBZTLORRJRNS-UHFFFAOYSA-N -1 3 393.451 3.696 20 30 GHEDHM C=CC(C)(C)CNC(=O)Nc1cnc(Oc2ccccc2-c2nn[n-]n2)cc1C ZINC001573307672 947182461 /nfs/dbraw/zinc/18/24/61/947182461.db2.gz UZTBZTLORRJRNS-UHFFFAOYSA-N -1 3 393.451 3.696 20 30 GHEDHM C=CCCC1(CNC(=O)c2cc(-c3cccc(-c4nnn[n-]4)c3)no2)CCCC1 ZINC001573335266 947475134 /nfs/dbraw/zinc/47/51/34/947475134.db2.gz WVNRDHCHGCGUDB-UHFFFAOYSA-N -1 3 392.463 3.778 20 30 GHEDHM C=CCCC1(CNC(=O)c2cc(-c3cccc(-c4nn[n-]n4)c3)no2)CCCC1 ZINC001573335266 947475140 /nfs/dbraw/zinc/47/51/40/947475140.db2.gz WVNRDHCHGCGUDB-UHFFFAOYSA-N -1 3 392.463 3.778 20 30 GHEDHM C=CCOc1ccc(CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573348322 947582409 /nfs/dbraw/zinc/58/24/09/947582409.db2.gz PJHXSMOPSYZHHQ-UHFFFAOYSA-N -1 3 391.475 3.663 20 30 GHEDHM C=CCOc1ccc(CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573348322 947582417 /nfs/dbraw/zinc/58/24/17/947582417.db2.gz PJHXSMOPSYZHHQ-UHFFFAOYSA-N -1 3 391.475 3.663 20 30 GHEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CCCCC)C(C)C ZINC001573349047 947591910 /nfs/dbraw/zinc/59/19/10/947591910.db2.gz YIIWLEWAGHNLQC-UHFFFAOYSA-N -1 3 380.500 3.716 20 30 GHEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CCCCC)C(C)C ZINC001573349047 947591920 /nfs/dbraw/zinc/59/19/20/947591920.db2.gz YIIWLEWAGHNLQC-UHFFFAOYSA-N -1 3 380.500 3.716 20 30 GHEDHM C#C[C@@H]1CCCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OCC)c2)C1 ZINC001588383425 983381499 /nfs/dbraw/zinc/38/14/99/983381499.db2.gz ZETOHAXKGDJBOE-MRXNPFEDSA-N -1 3 383.444 3.801 20 30 GHEDHM C=CCC(F)(F)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000814681330 1014945624 /nfs/dbraw/zinc/94/56/24/1014945624.db2.gz HBQSQTAAIZLLOL-UHFFFAOYSA-N -1 3 380.416 3.946 20 30 GHEDHM C=C[C@H](NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(=O)[O-] ZINC001588701611 983915133 /nfs/dbraw/zinc/91/51/33/983915133.db2.gz UEUMGTJCDYWRJV-AWEZNQCLSA-N -1 3 380.759 3.908 20 30 GHEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)cc1C#N ZINC001599558983 998152332 /nfs/dbraw/zinc/15/23/32/998152332.db2.gz QJDXHNDAHHRMAK-KRWDZBQOSA-N -1 3 389.249 3.587 20 30 GHEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001228133962 1032800510 /nfs/dbraw/zinc/80/05/10/1032800510.db2.gz KSYUDEJFMQJPKH-KBXCAEBGSA-N -1 3 388.464 3.685 20 30 GHEDHM N#Cc1ccc2[nH]c(C(=O)NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc2c1 ZINC001156461438 1033044915 /nfs/dbraw/zinc/04/49/15/1033044915.db2.gz NWBBPSCHNKWNTL-UHFFFAOYSA-N -1 3 388.305 3.504 20 30 GHEDHM N#Cc1ccccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000755683094 1023334777 /nfs/dbraw/zinc/33/47/77/1023334777.db2.gz NRCUAPKOFGPVTO-UHFFFAOYSA-N -1 3 376.441 3.805 20 30 GHEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1 ZINC001228959388 1033200441 /nfs/dbraw/zinc/20/04/41/1033200441.db2.gz YPKOMSMVYCSCPL-LSDHHAIUSA-N -1 3 388.464 3.999 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCOC[C@H]2c2ccc(Cl)cc2)n1 ZINC001156713279 1033201776 /nfs/dbraw/zinc/20/17/76/1033201776.db2.gz FEODTYMBYDRFMU-UJHWAJGWSA-N -1 3 399.303 3.891 20 30 GHEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c([O-])c1 ZINC001141267525 1024344627 /nfs/dbraw/zinc/34/46/27/1024344627.db2.gz CUACQRDHLBZCQA-UHFFFAOYSA-N -1 3 395.459 3.508 20 30 GHEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1O ZINC000839388188 1025864977 /nfs/dbraw/zinc/86/49/77/1025864977.db2.gz UVTHZRVSYRHMSP-UHFFFAOYSA-N -1 3 397.456 3.514 20 30 GHEDHM N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1NCCCc1c[n-][nH]c1=O ZINC001164375772 1026498426 /nfs/dbraw/zinc/49/84/26/1026498426.db2.gz VTMXKBUSPBYBEJ-SECBINFHSA-N -1 3 395.772 3.703 20 30 GHEDHM COC(=O)c1sc2[n-]c(CSc3ccc(C)cc3C#N)nc(=O)c2c1C ZINC001166739529 1027071357 /nfs/dbraw/zinc/07/13/57/1027071357.db2.gz SPAGHUKMPSULDY-UHFFFAOYSA-N -1 3 385.470 3.552 20 30 GHEDHM COCCn1nc(C)c(C(=O)/C=C\c2cccc([O-])c2Br)c1C ZINC000840720957 1027760109 /nfs/dbraw/zinc/76/01/09/1027760109.db2.gz QLSNBEUWSKXNLE-FPLPWBNLSA-N -1 3 379.254 3.511 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccc(C2CC2)cc1 ZINC000841608845 1028774200 /nfs/dbraw/zinc/77/42/00/1028774200.db2.gz NIQKUHSNBVWDHX-GOSISDBHSA-N -1 3 378.457 3.839 20 30 GHEDHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(C#N)c4ccccc34)no2)cc1 ZINC001215447762 1029214072 /nfs/dbraw/zinc/21/40/72/1029214072.db2.gz FWDLUPSHBPDTOT-UHFFFAOYSA-N -1 3 390.424 3.800 20 30 GHEDHM [O-]/N=C(\Cl)c1ccccc1C(F)(F)O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001222940203 1030360944 /nfs/dbraw/zinc/36/09/44/1030360944.db2.gz NPSAJGVORLGZLM-XQLNPQBQSA-N -1 3 388.842 3.771 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1ccnc(Br)c1 ZINC001241708405 1035660838 /nfs/dbraw/zinc/66/08/38/1035660838.db2.gz XEINOHLVKIXMMF-DJKKODMXSA-N -1 3 377.242 3.699 20 30 GHEDHM N#CCN(Cc1ccccc1)Cc1ccc(I)cc1[O-] ZINC001232980813 1038749087 /nfs/dbraw/zinc/74/90/87/1038749087.db2.gz WVHBZOLHXOHVMN-UHFFFAOYSA-N -1 3 378.213 3.523 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1F ZINC001233799414 1039624935 /nfs/dbraw/zinc/62/49/35/1039624935.db2.gz JMJJGUHJXLXRSM-DHEJHBFJSA-N -1 3 382.432 3.620 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001233799279 1039625813 /nfs/dbraw/zinc/62/58/13/1039625813.db2.gz GSLAMQIDFDBFRM-RHKKVYNHSA-N -1 3 376.453 3.670 20 30 GHEDHM C=CC(C)(C)CCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001253519652 1039687038 /nfs/dbraw/zinc/68/70/38/1039687038.db2.gz ORIRRBLDRRYPMI-CQSZACIVSA-N -1 3 397.441 3.971 20 30 GHEDHM COc1c(OC2CCC(C#N)CC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234126609 1039869391 /nfs/dbraw/zinc/86/93/91/1039869391.db2.gz ITTSNNFQXIVBQT-UHFFFAOYSA-N -1 3 391.423 3.946 20 30 GHEDHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2Cl)c1 ZINC001254440499 1040234920 /nfs/dbraw/zinc/23/49/20/1040234920.db2.gz YRFSCZZSMULXKU-UHFFFAOYSA-N -1 3 387.244 3.683 20 30 GHEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(Br)c([O-])c1)CCO2 ZINC001236685539 1041831825 /nfs/dbraw/zinc/83/18/25/1041831825.db2.gz NKTJPQUCVGHXRW-QFBILLFUSA-N -1 3 396.325 3.728 20 30 GHEDHM C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cc(Cl)nc(Cl)c1[O-])C2 ZINC001237521861 1042248585 /nfs/dbraw/zinc/24/85/85/1042248585.db2.gz VIMMNCNYPUNSDJ-RDTXWAMCSA-N -1 3 387.307 3.668 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C(F)(F)F)c2)cc1 ZINC001258109461 1044399370 /nfs/dbraw/zinc/39/93/70/1044399370.db2.gz NUUMHDHKTKDADM-UHFFFAOYSA-N -1 3 395.406 3.978 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2F)c(Cl)c1 ZINC001259107977 1044965550 /nfs/dbraw/zinc/96/55/50/1044965550.db2.gz BQLQCMSZTPEGNM-UHFFFAOYSA-N -1 3 379.722 3.565 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)cc1Cl ZINC001259135611 1044977097 /nfs/dbraw/zinc/97/70/97/1044977097.db2.gz AYAULYBTPSFAPM-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Oc2ccccn2)cc1)c1ccc(F)cc1 ZINC001260149397 1045399137 /nfs/dbraw/zinc/39/91/37/1045399137.db2.gz LJUGLWPZSVWPIW-GOSISDBHSA-N -1 3 383.404 3.556 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC001260896181 1045750562 /nfs/dbraw/zinc/75/05/62/1045750562.db2.gz WOHWRBXJUTYHQC-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM N#CC[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001263687329 1047049388 /nfs/dbraw/zinc/04/93/88/1047049388.db2.gz ZJGLAPSSWDKREY-CYBMUJFWSA-N -1 3 394.504 3.800 20 30 GHEDHM CC(C)(C)OC(=O)N1[C@H](CCC(=O)N([O-])Cc2ccc(F)cc2)COC1(C)C ZINC001306898588 1048950920 /nfs/dbraw/zinc/95/09/20/1048950920.db2.gz JWGLALKLQSAQPV-MRXNPFEDSA-N -1 3 396.459 3.696 20 30 GHEDHM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001309305219 1050576085 /nfs/dbraw/zinc/57/60/85/1050576085.db2.gz NRHXIKVZJPQURX-UHFFFAOYSA-N -1 3 386.498 3.959 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)c(C#N)c1 ZINC001309355088 1050628688 /nfs/dbraw/zinc/62/86/88/1050628688.db2.gz XWFIWABRLRCIPU-QGZVFWFLSA-N -1 3 382.407 3.709 20 30 GHEDHM Cc1cc(=O)[n-]c(N2CCC(Nc3c(C#N)cnc4c(Cl)cccc43)CC2)n1 ZINC001336724507 1052315844 /nfs/dbraw/zinc/31/58/44/1052315844.db2.gz QUYLXFPYNSXRDM-UHFFFAOYSA-N -1 3 394.866 3.645 20 30 GHEDHM C#CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccc1 ZINC001319507366 1055297548 /nfs/dbraw/zinc/29/75/48/1055297548.db2.gz NOAQYSZTPUNZCQ-HNNXBMFYSA-N -1 3 382.254 3.631 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2F)cc1F ZINC001323960387 1057044642 /nfs/dbraw/zinc/04/46/42/1057044642.db2.gz IPSSTYSHQNRLSI-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM Cc1nc(F)ccc1C=Nn1c(-c2ccc(O)cc2[O-])csc1=NC(C)C ZINC001324770429 1057222778 /nfs/dbraw/zinc/22/27/78/1057222778.db2.gz AQJSWJZTBHGYNE-UHFFFAOYSA-N -1 3 386.452 3.662 20 30 GHEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3ncc(C(N)=O)cc3Cl)sc2[C@@H](C)C1 ZINC001327221542 1057624785 /nfs/dbraw/zinc/62/47/85/1057624785.db2.gz PCWPNBPUXQZZAA-IUCAKERBSA-N -1 3 388.880 3.705 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccc(C)cc2C)C1 ZINC001339070688 1058947233 /nfs/dbraw/zinc/94/72/33/1058947233.db2.gz WTXKRWIPKYAOCN-KRWDZBQOSA-N -1 3 390.491 3.546 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3nnc(C)s3)n2CC)c1[O-] ZINC001339651582 1059369333 /nfs/dbraw/zinc/36/93/33/1059369333.db2.gz NCSCLAFCDRVIMT-UHFFFAOYSA-N -1 3 384.509 3.586 20 30 GHEDHM COC(=O)[C@@H](CC(F)(F)F)[N-]C(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001447415367 1059961751 /nfs/dbraw/zinc/96/17/51/1059961751.db2.gz WGNGJUYEIVCDSH-CDCCAWJDSA-N -1 3 387.251 3.626 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@](C)(C#N)C1 ZINC001340611794 1059994199 /nfs/dbraw/zinc/99/41/99/1059994199.db2.gz GADDBUYTHYZHQI-HXUWFJFHSA-N -1 3 385.899 3.738 20 30 GHEDHM Cn1nc(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001341784397 1060891141 /nfs/dbraw/zinc/89/11/41/1060891141.db2.gz DRGFDCLRCKUWLC-OAHLLOKOSA-N -1 3 394.866 3.548 20 30 GHEDHM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cccc(Cl)c1[O-] ZINC001351586005 1064523930 /nfs/dbraw/zinc/52/39/30/1064523930.db2.gz KIQMKBBQXZFQKU-UHFFFAOYSA-N -1 3 376.792 3.789 20 30 GHEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1cccc(Cl)c1 ZINC001463821193 1064649024 /nfs/dbraw/zinc/64/90/24/1064649024.db2.gz GCNMGNYCBSFCTR-CQSZACIVSA-N -1 3 385.272 3.531 20 30 GHEDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccc(Br)cn1 ZINC001467661009 1067404854 /nfs/dbraw/zinc/40/48/54/1067404854.db2.gz HBZOAMSUUGEZRN-SNVBAGLBSA-N -1 3 380.192 3.685 20 30 GHEDHM CC(C)(C)OC(=O)c1cnc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001472618084 1073578301 /nfs/dbraw/zinc/57/83/01/1073578301.db2.gz VSTHGSRZPOGWPO-UHFFFAOYSA-N -1 3 398.246 3.770 20 30 GHEDHM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001472623492 1073582304 /nfs/dbraw/zinc/58/23/04/1073582304.db2.gz ZBQUEWZSCMQZQE-MRXNPFEDSA-N -1 3 378.444 3.723 20 30 GHEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)sc2cccc(F)c12 ZINC000737215154 598924967 /nfs/dbraw/zinc/92/49/67/598924967.db2.gz YBYAWANMYVLLET-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)sc2cccc(F)c12 ZINC000737215154 598924969 /nfs/dbraw/zinc/92/49/69/598924969.db2.gz YBYAWANMYVLLET-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM CCOCc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OC ZINC000821384348 599112294 /nfs/dbraw/zinc/11/22/94/599112294.db2.gz VZFZLVOWDJIIEJ-YBEGLDIGSA-N -1 3 390.443 3.624 20 30 GHEDHM CCOCc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OC ZINC000821384348 599112296 /nfs/dbraw/zinc/11/22/96/599112296.db2.gz VZFZLVOWDJIIEJ-YBEGLDIGSA-N -1 3 390.443 3.624 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1OC(F)(F)F ZINC000823505021 599115103 /nfs/dbraw/zinc/11/51/03/599115103.db2.gz WYAXKBBAGZTHET-RAXLEYEMSA-N -1 3 386.333 3.978 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1OC(F)(F)F ZINC000823505021 599115106 /nfs/dbraw/zinc/11/51/06/599115106.db2.gz WYAXKBBAGZTHET-RAXLEYEMSA-N -1 3 386.333 3.978 20 30 GHEDHM COc1ccc(OC(F)F)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821837297 599116528 /nfs/dbraw/zinc/11/65/28/599116528.db2.gz CHKSIAZFIDDOHE-XFXZXTDPSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1ccc(OC(F)F)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821837297 599116530 /nfs/dbraw/zinc/11/65/30/599116530.db2.gz CHKSIAZFIDDOHE-XFXZXTDPSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1ccc(C=C2CSc3c(Cl)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737084506 599156228 /nfs/dbraw/zinc/15/62/28/599156228.db2.gz USPCJZPZFJUXLX-XFFZJAGNSA-N -1 3 384.848 3.901 20 30 GHEDHM COc1ccc(C=C2CSc3c(Cl)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737084506 599156231 /nfs/dbraw/zinc/15/62/31/599156231.db2.gz USPCJZPZFJUXLX-XFFZJAGNSA-N -1 3 384.848 3.901 20 30 GHEDHM Cc1c(C(=O)C=Cc2c(F)cccc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202475 599157504 /nfs/dbraw/zinc/15/75/04/599157504.db2.gz MUKJBJPDMVAAFU-KTKRTIGZSA-N -1 3 392.369 3.535 20 30 GHEDHM Cn1nc(-c2ccccc2)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000737619585 599158808 /nfs/dbraw/zinc/15/88/08/599158808.db2.gz WFKYCLAJYUCJIO-KHPPLWFESA-N -1 3 390.834 3.817 20 30 GHEDHM Cn1nc(-c2ccccc2)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000737619585 599158810 /nfs/dbraw/zinc/15/88/10/599158810.db2.gz WFKYCLAJYUCJIO-KHPPLWFESA-N -1 3 390.834 3.817 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737717073 599195537 /nfs/dbraw/zinc/19/55/37/599195537.db2.gz YJYNKWINFSFIJI-GJZGRUSLSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737717073 599195540 /nfs/dbraw/zinc/19/55/40/599195540.db2.gz YJYNKWINFSFIJI-GJZGRUSLSA-N -1 3 399.241 3.787 20 30 GHEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736311581 599198953 /nfs/dbraw/zinc/19/89/53/599198953.db2.gz ADRIEXJWFOOPHY-IBGZPJMESA-N -1 3 396.838 3.734 20 30 GHEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736311608 599199208 /nfs/dbraw/zinc/19/92/08/599199208.db2.gz AYKWZPBUWWOCQG-IBGZPJMESA-N -1 3 396.838 3.734 20 30 GHEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736311608 599199209 /nfs/dbraw/zinc/19/92/09/599199209.db2.gz AYKWZPBUWWOCQG-IBGZPJMESA-N -1 3 396.838 3.734 20 30 GHEDHM Cc1c(C#N)cccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000822015215 607286475 /nfs/dbraw/zinc/28/64/75/607286475.db2.gz FVWCEZLZJHZPKW-UHFFFAOYSA-N -1 3 389.463 3.737 20 30 GHEDHM Cc1c(C#N)cccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000822015215 607286476 /nfs/dbraw/zinc/28/64/76/607286476.db2.gz FVWCEZLZJHZPKW-UHFFFAOYSA-N -1 3 389.463 3.737 20 30 GHEDHM Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000737331739 598315807 /nfs/dbraw/zinc/31/58/07/598315807.db2.gz YXHIZCKLIJINDV-UHFFFAOYSA-N -1 3 391.313 3.548 20 30 GHEDHM Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000737331739 598315809 /nfs/dbraw/zinc/31/58/09/598315809.db2.gz YXHIZCKLIJINDV-UHFFFAOYSA-N -1 3 391.313 3.548 20 30 GHEDHM C#Cc1cccc(NC(=S)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391187 598321197 /nfs/dbraw/zinc/32/11/97/598321197.db2.gz OHLMOQFJQDFKPX-AWEZNQCLSA-N -1 3 376.489 3.628 20 30 GHEDHM C#Cc1cccc(NC(=S)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391187 598321200 /nfs/dbraw/zinc/32/12/00/598321200.db2.gz OHLMOQFJQDFKPX-AWEZNQCLSA-N -1 3 376.489 3.628 20 30 GHEDHM COc1ccc2cc(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)ccc2c1 ZINC000737118436 598378417 /nfs/dbraw/zinc/37/84/17/598378417.db2.gz FAHQBSFIBURMJE-UXBLZVDNSA-N -1 3 399.454 3.981 20 30 GHEDHM COc1ccc2cc(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)ccc2c1 ZINC000737118436 598378419 /nfs/dbraw/zinc/37/84/19/598378419.db2.gz FAHQBSFIBURMJE-UXBLZVDNSA-N -1 3 399.454 3.981 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2OC(C)C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203963 598378906 /nfs/dbraw/zinc/37/89/06/598378906.db2.gz WVQHTUMPUPKNDB-ZHACJKMWSA-N -1 3 377.448 3.606 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2OC(C)C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203963 598378907 /nfs/dbraw/zinc/37/89/07/598378907.db2.gz WVQHTUMPUPKNDB-ZHACJKMWSA-N -1 3 377.448 3.606 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000735420811 598391832 /nfs/dbraw/zinc/39/18/32/598391832.db2.gz UKABHCXRWLKFFZ-FQEVSTJZSA-N -1 3 388.475 3.560 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000735420811 598391834 /nfs/dbraw/zinc/39/18/34/598391834.db2.gz UKABHCXRWLKFFZ-FQEVSTJZSA-N -1 3 388.475 3.560 20 30 GHEDHM C=C(C)CNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735402599 598536859 /nfs/dbraw/zinc/53/68/59/598536859.db2.gz YOENDHRFXCRTQL-UHFFFAOYSA-N -1 3 394.504 3.617 20 30 GHEDHM C=C(C)CNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735402599 598536861 /nfs/dbraw/zinc/53/68/61/598536861.db2.gz YOENDHRFXCRTQL-UHFFFAOYSA-N -1 3 394.504 3.617 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735974153 598554840 /nfs/dbraw/zinc/55/48/40/598554840.db2.gz JPOGIKRDGZJOSZ-AWEZNQCLSA-N -1 3 392.488 3.832 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735974153 598554842 /nfs/dbraw/zinc/55/48/42/598554842.db2.gz JPOGIKRDGZJOSZ-AWEZNQCLSA-N -1 3 392.488 3.832 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737730409 598589315 /nfs/dbraw/zinc/58/93/15/598589315.db2.gz KASLROAJSCLXPS-UHFFFAOYSA-N -1 3 384.374 3.797 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737730409 598589317 /nfs/dbraw/zinc/58/93/17/598589317.db2.gz KASLROAJSCLXPS-UHFFFAOYSA-N -1 3 384.374 3.797 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(Cl)ccc1Cl ZINC000737809574 599461911 /nfs/dbraw/zinc/46/19/11/599461911.db2.gz XJIQEKITGHXRRQ-HYXAFXHYSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(Cl)ccc1Cl ZINC000737809574 599461913 /nfs/dbraw/zinc/46/19/13/599461913.db2.gz XJIQEKITGHXRRQ-HYXAFXHYSA-N -1 3 385.214 3.717 20 30 GHEDHM Fc1ccc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778467 599491830 /nfs/dbraw/zinc/49/18/30/599491830.db2.gz IIKIDEGWWWCZKL-HTQZYQBOSA-N -1 3 383.271 3.573 20 30 GHEDHM Fc1ccc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778467 599491832 /nfs/dbraw/zinc/49/18/32/599491832.db2.gz IIKIDEGWWWCZKL-HTQZYQBOSA-N -1 3 383.271 3.573 20 30 GHEDHM Cc1cc(F)ccc1N(CCCSCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822205665 599690548 /nfs/dbraw/zinc/69/05/48/599690548.db2.gz DCAKQSGFGRKDRN-UHFFFAOYSA-N -1 3 396.495 3.968 20 30 GHEDHM Cc1cc(F)ccc1N(CCCSCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822205665 599690549 /nfs/dbraw/zinc/69/05/49/599690549.db2.gz DCAKQSGFGRKDRN-UHFFFAOYSA-N -1 3 396.495 3.968 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819746082 607425489 /nfs/dbraw/zinc/42/54/89/607425489.db2.gz ZQHDVGNPLQRRLE-UHFFFAOYSA-N -1 3 392.463 3.874 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819746082 607425490 /nfs/dbraw/zinc/42/54/90/607425490.db2.gz ZQHDVGNPLQRRLE-UHFFFAOYSA-N -1 3 392.463 3.874 20 30 GHEDHM Cc1ccc(C(=O)C2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000738504749 600563557 /nfs/dbraw/zinc/56/35/57/600563557.db2.gz ZKRQIXDRCVDJQV-OAQYLSRUSA-N -1 3 376.456 3.896 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)c(F)c1 ZINC000822922838 607462114 /nfs/dbraw/zinc/46/21/14/607462114.db2.gz KRWQPYPJBLWADJ-GQCTYLIASA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)c(F)c1 ZINC000822922838 607462116 /nfs/dbraw/zinc/46/21/16/607462116.db2.gz KRWQPYPJBLWADJ-GQCTYLIASA-N -1 3 391.175 3.804 20 30 GHEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000739301516 602670402 /nfs/dbraw/zinc/67/04/02/602670402.db2.gz GBYLKPVEOWESRI-VHSXEESVSA-N -1 3 385.367 3.928 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1cccc(Cl)c1 ZINC000822015809 606392312 /nfs/dbraw/zinc/39/23/12/606392312.db2.gz OTRLVLBBVLNKEA-FNORWQNLSA-N -1 3 396.863 3.972 20 30 GHEDHM N#Cc1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822825509 606781298 /nfs/dbraw/zinc/78/12/98/606781298.db2.gz IJWSLZBBHIHJLK-UHFFFAOYSA-N -1 3 377.738 3.572 20 30 GHEDHM N#Cc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822825509 606781300 /nfs/dbraw/zinc/78/13/00/606781300.db2.gz IJWSLZBBHIHJLK-UHFFFAOYSA-N -1 3 377.738 3.572 20 30 GHEDHM COc1ccc(C=CC(=O)c2cc(C)ccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000821787770 606820988 /nfs/dbraw/zinc/82/09/88/606820988.db2.gz ZUWAWCSJONFVDQ-GQCTYLIASA-N -1 3 386.358 3.681 20 30 GHEDHM COc1ccc(C=CC(=O)c2cc(C)ccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000821787770 606820989 /nfs/dbraw/zinc/82/09/89/606820989.db2.gz ZUWAWCSJONFVDQ-GQCTYLIASA-N -1 3 386.358 3.681 20 30 GHEDHM C=CCC(CC=C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819734904 606927011 /nfs/dbraw/zinc/92/70/11/606927011.db2.gz XGHHOKMBXBZSJM-UHFFFAOYSA-N -1 3 376.420 3.761 20 30 GHEDHM C#CCCCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819693303 606955222 /nfs/dbraw/zinc/95/52/22/606955222.db2.gz POSYGPSXFGINAS-UHFFFAOYSA-N -1 3 395.850 3.846 20 30 GHEDHM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccoc1C ZINC000819763742 607037281 /nfs/dbraw/zinc/03/72/81/607037281.db2.gz BWBFFKBOYIAUJH-UHFFFAOYSA-N -1 3 397.439 3.644 20 30 GHEDHM C=CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccoc1C ZINC000819763742 607037283 /nfs/dbraw/zinc/03/72/83/607037283.db2.gz BWBFFKBOYIAUJH-UHFFFAOYSA-N -1 3 397.439 3.644 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(OC(F)F)c(F)c1 ZINC000826475664 607842958 /nfs/dbraw/zinc/84/29/58/607842958.db2.gz MOVGWUVCIIMGEB-KPKJPENVSA-N -1 3 386.333 3.820 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(OC(F)F)c(F)c1 ZINC000826475664 607842959 /nfs/dbraw/zinc/84/29/59/607842959.db2.gz MOVGWUVCIIMGEB-KPKJPENVSA-N -1 3 386.333 3.820 20 30 GHEDHM COc1ccc2oc(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)cc2c1 ZINC000826213552 608109772 /nfs/dbraw/zinc/10/97/72/608109772.db2.gz BHBPNGCXWAPDRN-FNORWQNLSA-N -1 3 389.415 3.574 20 30 GHEDHM COc1ccc2oc(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)cc2c1 ZINC000826213552 608109773 /nfs/dbraw/zinc/10/97/73/608109773.db2.gz BHBPNGCXWAPDRN-FNORWQNLSA-N -1 3 389.415 3.574 20 30 GHEDHM N#Cc1ccc(C2=CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826384728 608237140 /nfs/dbraw/zinc/23/71/40/608237140.db2.gz HHLIKTCXJOJYLH-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1ccc(C2=CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826384728 608237141 /nfs/dbraw/zinc/23/71/41/608237141.db2.gz HHLIKTCXJOJYLH-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM C=CCN(C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000823903942 608261312 /nfs/dbraw/zinc/26/13/12/608261312.db2.gz OCGLEWDOQZBBLV-UHFFFAOYSA-N -1 3 376.420 3.841 20 30 GHEDHM C=CCN(C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000823903942 608261314 /nfs/dbraw/zinc/26/13/14/608261314.db2.gz OCGLEWDOQZBBLV-UHFFFAOYSA-N -1 3 376.420 3.841 20 30 GHEDHM N#Cc1ccc(C2=CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000826385081 608442485 /nfs/dbraw/zinc/44/24/85/608442485.db2.gz WIXVWVZKSYPNAQ-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1ccc(C2=CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000826385081 608442487 /nfs/dbraw/zinc/44/24/87/608442487.db2.gz WIXVWVZKSYPNAQ-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OCCC)cc1 ZINC000823910061 608613663 /nfs/dbraw/zinc/61/36/63/608613663.db2.gz WVMHOKWCTAAELG-UHFFFAOYSA-N -1 3 392.463 3.876 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OCCC)cc1 ZINC000823910061 608613665 /nfs/dbraw/zinc/61/36/65/608613665.db2.gz WVMHOKWCTAAELG-UHFFFAOYSA-N -1 3 392.463 3.876 20 30 GHEDHM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399930 609134325 /nfs/dbraw/zinc/13/43/25/609134325.db2.gz KLCCQQCDLNBLFM-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399930 609134326 /nfs/dbraw/zinc/13/43/26/609134326.db2.gz KLCCQQCDLNBLFM-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM N#CC1(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCC1 ZINC000826380053 609157254 /nfs/dbraw/zinc/15/72/54/609157254.db2.gz LHKYWSKBOUXGGV-UHFFFAOYSA-N -1 3 389.415 3.900 20 30 GHEDHM N#CC1(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCC1 ZINC000826380053 609157256 /nfs/dbraw/zinc/15/72/56/609157256.db2.gz LHKYWSKBOUXGGV-UHFFFAOYSA-N -1 3 389.415 3.900 20 30 GHEDHM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963250 609159933 /nfs/dbraw/zinc/15/99/33/609159933.db2.gz ZLSQHIZTLZXXKG-UHFFFAOYSA-N -1 3 398.789 3.545 20 30 GHEDHM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963250 609159935 /nfs/dbraw/zinc/15/99/35/609159935.db2.gz ZLSQHIZTLZXXKG-UHFFFAOYSA-N -1 3 398.789 3.545 20 30 GHEDHM CC(C)CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255562 609161855 /nfs/dbraw/zinc/16/18/55/609161855.db2.gz ODGZMTVSRUEFQL-UHFFFAOYSA-N -1 3 386.459 3.725 20 30 GHEDHM CC(C)CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255562 609161856 /nfs/dbraw/zinc/16/18/56/609161856.db2.gz ODGZMTVSRUEFQL-UHFFFAOYSA-N -1 3 386.459 3.725 20 30 GHEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccc(CC#N)c2)c1-c1nnn[n-]1 ZINC000826234391 609168157 /nfs/dbraw/zinc/16/81/57/609168157.db2.gz UEBFIBLGASWQQD-UHFFFAOYSA-N -1 3 397.442 3.593 20 30 GHEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccc(CC#N)c2)c1-c1nn[n-]n1 ZINC000826234391 609168158 /nfs/dbraw/zinc/16/81/58/609168158.db2.gz UEBFIBLGASWQQD-UHFFFAOYSA-N -1 3 397.442 3.593 20 30 GHEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OCC ZINC000825638763 609270016 /nfs/dbraw/zinc/27/00/16/609270016.db2.gz OOKTZANOTUBFOQ-WEVVVXLNSA-N -1 3 382.395 3.699 20 30 GHEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OCC ZINC000825638763 609270018 /nfs/dbraw/zinc/27/00/18/609270018.db2.gz OOKTZANOTUBFOQ-WEVVVXLNSA-N -1 3 382.395 3.699 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OCC(C)C ZINC000826190611 609274472 /nfs/dbraw/zinc/27/44/72/609274472.db2.gz HPSOMFVDFLOZNW-XBXARRHUSA-N -1 3 396.422 3.945 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OCC(C)C ZINC000826190611 609274474 /nfs/dbraw/zinc/27/44/74/609274474.db2.gz HPSOMFVDFLOZNW-XBXARRHUSA-N -1 3 396.422 3.945 20 30 GHEDHM C=CCN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000823919336 609355233 /nfs/dbraw/zinc/35/52/33/609355233.db2.gz CMTZAQIHMOMKPS-UHFFFAOYSA-N -1 3 390.310 3.879 20 30 GHEDHM C=CCN(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000823919336 609355235 /nfs/dbraw/zinc/35/52/35/609355235.db2.gz CMTZAQIHMOMKPS-UHFFFAOYSA-N -1 3 390.310 3.879 20 30 GHEDHM FC(F)Sc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826370388 609374259 /nfs/dbraw/zinc/37/42/59/609374259.db2.gz QDKLRHXNBXAROJ-UHFFFAOYSA-N -1 3 381.799 3.676 20 30 GHEDHM FC(F)Sc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826370388 609374261 /nfs/dbraw/zinc/37/42/61/609374261.db2.gz QDKLRHXNBXAROJ-UHFFFAOYSA-N -1 3 381.799 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2ccccc2)o1 ZINC000823914970 609498853 /nfs/dbraw/zinc/49/88/53/609498853.db2.gz QIJOHHLFUANPBX-UHFFFAOYSA-N -1 3 385.427 3.955 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2ccccc2)o1 ZINC000823914970 609498855 /nfs/dbraw/zinc/49/88/55/609498855.db2.gz QIJOHHLFUANPBX-UHFFFAOYSA-N -1 3 385.427 3.955 20 30 GHEDHM C#CCCCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823841300 609529730 /nfs/dbraw/zinc/52/97/30/609529730.db2.gz KXKWWTQHGGRQNO-UHFFFAOYSA-N -1 3 376.420 3.576 20 30 GHEDHM C[C@H](c1ccncc1)N1CCC(/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000255088426 837804094 /nfs/dbraw/zinc/80/40/94/837804094.db2.gz YFQNWIDHSLMHOL-IKTNTUJMSA-N -1 3 388.855 3.993 20 30 GHEDHM CC(C)(C#N)c1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511266859 834909772 /nfs/dbraw/zinc/90/97/72/834909772.db2.gz NLFDGAFFOWSOTG-UHFFFAOYSA-N -1 3 383.249 3.572 20 30 GHEDHM O=S(=O)([N-]c1nccs1)c1ccc(N=NCc2c[nH]c3ccccc23)cc1 ZINC000748081806 835437718 /nfs/dbraw/zinc/43/77/18/835437718.db2.gz RCKWTZCDDPZDCR-UHFFFAOYSA-N -1 3 397.485 3.871 20 30 GHEDHM COC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccc(Cl)c1 ZINC000582084860 836226112 /nfs/dbraw/zinc/22/61/12/836226112.db2.gz JFTZRYCGTOHYMW-HNNXBMFYSA-N -1 3 385.272 3.531 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnc(C(=O)OC(C)(C)C)cn3)sc2C1 ZINC000548959634 836762143 /nfs/dbraw/zinc/76/21/43/836762143.db2.gz ZMNZBHKTKWCZCN-LLVKDONJSA-N -1 3 398.488 3.742 20 30 GHEDHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCCCC#N ZINC000376539022 837947196 /nfs/dbraw/zinc/94/71/96/837947196.db2.gz ZSLKNCRZEKAPRX-RDJZCZTQSA-N -1 3 383.414 3.573 20 30 GHEDHM COC(=O)c1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[n-]1 ZINC000431836037 838566136 /nfs/dbraw/zinc/56/61/36/838566136.db2.gz QKFYISXFNXKLMZ-UHFFFAOYSA-N -1 3 389.411 3.699 20 30 GHEDHM N#Cc1cccc(C2(NC(=O)NCc3ccc([O-])c(Br)c3)CC2)c1 ZINC000500155617 841539893 /nfs/dbraw/zinc/53/98/93/841539893.db2.gz KNPYUFSPJJURTR-UHFFFAOYSA-N -1 3 386.249 3.515 20 30 GHEDHM COc1cc(OC)c(CC/N=C/c2cc(Br)ccc2[O-])c(OC)c1 ZINC000730950205 861366896 /nfs/dbraw/zinc/36/68/96/861366896.db2.gz AEDHBPSDGJMVAC-RGVLZGJSSA-N -1 3 394.265 3.842 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000128748352 843698978 /nfs/dbraw/zinc/69/89/78/843698978.db2.gz XIIIFRKNXKFAEG-UHFFFAOYSA-N -1 3 393.484 3.773 20 30 GHEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1OCCCC#N ZINC000426749029 852353827 /nfs/dbraw/zinc/35/38/27/852353827.db2.gz BZVKFUKKQJDWGK-LJQANCHMSA-N -1 3 388.851 3.947 20 30 GHEDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c([O-])c1C ZINC000436840970 852405545 /nfs/dbraw/zinc/40/55/45/852405545.db2.gz QOESDWHBGTVNIP-UHFFFAOYSA-N -1 3 377.444 3.844 20 30 GHEDHM COC(=O)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000732770243 862485085 /nfs/dbraw/zinc/48/50/85/862485085.db2.gz YFPAJYLPOVEXIQ-ZGFXFUDXSA-N -1 3 377.824 3.786 20 30 GHEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3cccc(Cl)c3)c2)nc2ccccc21 ZINC000517305867 853641458 /nfs/dbraw/zinc/64/14/58/853641458.db2.gz HZKJALVPBHLQNM-MRXNPFEDSA-N -1 3 375.819 3.902 20 30 GHEDHM Cn1nccc1[C@@H]1[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CCC(=O)N1C1CC1 ZINC000328947654 854613401 /nfs/dbraw/zinc/61/34/01/854613401.db2.gz KGHNPPQEPNFFSE-ACJLOTCBSA-N -1 3 388.855 3.509 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000105909241 855152812 /nfs/dbraw/zinc/15/28/12/855152812.db2.gz TVCDEPUXGPVUPV-QFIPXVFZSA-N -1 3 389.499 3.865 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]CC(F)(F)c2cccc(F)c2)c(Cl)c1 ZINC001212429844 855671641 /nfs/dbraw/zinc/67/16/41/855671641.db2.gz YEMFRGRJLWQYAU-UHFFFAOYSA-N -1 3 388.798 3.615 20 30 GHEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485103313 856095315 /nfs/dbraw/zinc/09/53/15/856095315.db2.gz IMLSQSXNGILGFZ-UHFFFAOYSA-N -1 3 387.399 3.886 20 30 GHEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485103313 856095331 /nfs/dbraw/zinc/09/53/31/856095331.db2.gz IMLSQSXNGILGFZ-UHFFFAOYSA-N -1 3 387.399 3.886 20 30 GHEDHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427751342 856668036 /nfs/dbraw/zinc/66/80/36/856668036.db2.gz CGACDJDSOKHRKL-AWEZNQCLSA-N -1 3 387.480 3.858 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)ccc1C#N ZINC000508094495 856905621 /nfs/dbraw/zinc/90/56/21/856905621.db2.gz LDSSJMWPJMVKBI-QGZVFWFLSA-N -1 3 393.390 3.930 20 30 GHEDHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041492827 857217600 /nfs/dbraw/zinc/21/76/00/857217600.db2.gz UZUASCUGXDAPAD-IBGZPJMESA-N -1 3 397.500 3.525 20 30 GHEDHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041492829 857217688 /nfs/dbraw/zinc/21/76/88/857217688.db2.gz UZUASCUGXDAPAD-LJQANCHMSA-N -1 3 397.500 3.525 20 30 GHEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000120982698 857254881 /nfs/dbraw/zinc/25/48/81/857254881.db2.gz MMRYUDJOEHUYBX-UHFFFAOYSA-N -1 3 397.378 3.509 20 30 GHEDHM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc2C1 ZINC000593167257 857347851 /nfs/dbraw/zinc/34/78/51/857347851.db2.gz JSIWGMBZZZXMHX-NSHDSACASA-N -1 3 392.502 3.629 20 30 GHEDHM Cc1cnc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(Br)c1 ZINC000593276841 857475384 /nfs/dbraw/zinc/47/53/84/857475384.db2.gz XIMUXTBVWYGTLC-UHFFFAOYSA-N -1 3 394.294 3.755 20 30 GHEDHM C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543029967 857940682 /nfs/dbraw/zinc/94/06/82/857940682.db2.gz HHWVYFAHXASIKZ-INIZCTEOSA-N -1 3 399.450 3.538 20 30 GHEDHM C#CCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000761066975 858200489 /nfs/dbraw/zinc/20/04/89/858200489.db2.gz GPNKXUVZRWFJRV-UHFFFAOYSA-N -1 3 375.421 3.505 20 30 GHEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2)c1 ZINC000115342582 858500362 /nfs/dbraw/zinc/50/03/62/858500362.db2.gz SJHNOAKJOKRYAV-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2)c1 ZINC000115342582 858500374 /nfs/dbraw/zinc/50/03/74/858500374.db2.gz SJHNOAKJOKRYAV-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc2C1 ZINC000593167256 858867555 /nfs/dbraw/zinc/86/75/55/858867555.db2.gz JSIWGMBZZZXMHX-LLVKDONJSA-N -1 3 392.502 3.629 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c(Cl)c1 ZINC000509385576 859263163 /nfs/dbraw/zinc/26/31/63/859263163.db2.gz OPTWLLHWYASFAX-UHFFFAOYSA-N -1 3 376.743 3.753 20 30 GHEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3(C#N)CC3)ccc2C)c(C)c1 ZINC000160868971 859288413 /nfs/dbraw/zinc/28/84/13/859288413.db2.gz LUHJHMCNAYIVHQ-UHFFFAOYSA-N -1 3 397.500 3.507 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000483805947 859622378 /nfs/dbraw/zinc/62/23/78/859622378.db2.gz RPLDPYFASKKRJC-UHFFFAOYSA-N -1 3 393.365 3.770 20 30 GHEDHM Cc1csc(C(C#N)=C([O-])c2cccc(I)c2C)n1 ZINC000161160974 859659413 /nfs/dbraw/zinc/65/94/13/859659413.db2.gz ZPBJLIALMGBYSP-LLVKDONJSA-N -1 3 382.226 3.855 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000598040765 860019427 /nfs/dbraw/zinc/01/94/27/860019427.db2.gz RMQUMASSJFKWLX-HXUWFJFHSA-N -1 3 379.460 3.945 20 30 GHEDHM N#CC1(c2ccc(CN[C@H](C(=O)[O-])c3csc(Br)c3)cc2)CC1 ZINC000904071722 860096057 /nfs/dbraw/zinc/09/60/57/860096057.db2.gz HLOGJCXBCFZENK-HNNXBMFYSA-N -1 3 391.290 3.981 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000475064418 863780347 /nfs/dbraw/zinc/78/03/47/863780347.db2.gz DTIJYTWKMVXNNM-ZDUSSCGKSA-N -1 3 381.407 3.971 20 30 GHEDHM CC(N=Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc([O-])c(F)c1 ZINC000735976778 865078839 /nfs/dbraw/zinc/07/88/39/865078839.db2.gz RBIXEOUVKJCXRV-UHFFFAOYSA-N -1 3 391.328 3.660 20 30 GHEDHM Cc1ccc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(F)(F)F)o1 ZINC000594153318 865224093 /nfs/dbraw/zinc/22/40/93/865224093.db2.gz BMFYDFWUOGJVCZ-INIZCTEOSA-N -1 3 381.354 3.530 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000481061593 865738293 /nfs/dbraw/zinc/73/82/93/865738293.db2.gz PJDNNDGTEKUEQH-ZDUSSCGKSA-N -1 3 385.420 3.533 20 30 GHEDHM N#Cc1c([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)sc2c1CCCCC2 ZINC000608930762 865835838 /nfs/dbraw/zinc/83/58/38/865835838.db2.gz FQPBUZYUGLERTE-UHFFFAOYSA-N -1 3 399.428 3.820 20 30 GHEDHM CCOc1cccc(C=Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1O ZINC000740764368 866005976 /nfs/dbraw/zinc/00/59/76/866005976.db2.gz SYZXGRKXBJEXHY-UHFFFAOYSA-N -1 3 394.468 3.757 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(OC)c(Cl)c1 ZINC000793123633 881931250 /nfs/dbraw/zinc/93/12/50/881931250.db2.gz IIMDULCLUYZOEE-HNNXBMFYSA-N -1 3 385.851 3.830 20 30 GHEDHM COC(=O)c1ccc(Br)c(NN=C(C)c2ccc([O-])c(F)c2)c1 ZINC000793117306 881953277 /nfs/dbraw/zinc/95/32/77/881953277.db2.gz KWQJZQPRVGSRGQ-UHFFFAOYSA-N -1 3 381.201 3.917 20 30 GHEDHM CCc1csc(-n2cc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)cn2)n1 ZINC000534972981 867855980 /nfs/dbraw/zinc/85/59/80/867855980.db2.gz ZODVGVNJTYSLJM-CQSZACIVSA-N -1 3 376.445 3.566 20 30 GHEDHM C#CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000744272282 868697963 /nfs/dbraw/zinc/69/79/63/868697963.db2.gz FQDRLMHNNXATRN-UHFFFAOYSA-N -1 3 390.418 3.964 20 30 GHEDHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000446767026 870320934 /nfs/dbraw/zinc/32/09/34/870320934.db2.gz UGYGGCKMXVWOLF-INIZCTEOSA-N -1 3 386.370 3.837 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2cc(F)cc(Br)c2)cc1F ZINC001193793697 871286270 /nfs/dbraw/zinc/28/62/70/871286270.db2.gz YEFRJUAGVLUQFF-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc([O-])cc3C(F)(F)F)C2)cc1 ZINC001193746662 871288382 /nfs/dbraw/zinc/28/83/82/871288382.db2.gz WSKCSADFRDMAID-MRXNPFEDSA-N -1 3 390.361 3.966 20 30 GHEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000443339048 871337379 /nfs/dbraw/zinc/33/73/79/871337379.db2.gz GHAPLUKZOGCQOC-GXFFZTMASA-N -1 3 380.819 3.859 20 30 GHEDHM Cc1cc(O)cc([O-])c1C(=O)N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001193929699 871376001 /nfs/dbraw/zinc/37/60/01/871376001.db2.gz KLBMJKYIXVCIDJ-UHFFFAOYSA-N -1 3 386.835 3.615 20 30 GHEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC(C)(C)C#N)cc1 ZINC000447395023 871529087 /nfs/dbraw/zinc/52/90/87/871529087.db2.gz HZKOZFSDDCZBCU-UHFFFAOYSA-N -1 3 385.489 3.983 20 30 GHEDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC000557805263 871677050 /nfs/dbraw/zinc/67/70/50/871677050.db2.gz YIFVUVSZOGAFQQ-PWSUYJOCSA-N -1 3 395.278 3.516 20 30 GHEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)c(Cl)cc1C(F)(F)F ZINC001169965527 872058626 /nfs/dbraw/zinc/05/86/26/872058626.db2.gz UUHIGLNFBRXUCW-UHFFFAOYSA-N -1 3 380.113 3.833 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc(F)c(OCC3CCOCC3)c(F)c2)ccc1[O-] ZINC001196634222 873273314 /nfs/dbraw/zinc/27/33/14/873273314.db2.gz PRKXYKQGXZUMLG-UHFFFAOYSA-N -1 3 388.370 3.600 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CSc3ccc(Br)cc32)c1[O-] ZINC000775740029 873321825 /nfs/dbraw/zinc/32/18/25/873321825.db2.gz JQPUDNXDMGKDLY-YARKXYPPSA-N -1 3 379.279 3.616 20 30 GHEDHM Cc1cc([N-]C(=O)c2cc(-c3cccc(C#N)c3)on2)n(C(=O)OC(C)(C)C)n1 ZINC001196756684 873354982 /nfs/dbraw/zinc/35/49/82/873354982.db2.gz UFADNWNJNVNXSU-UHFFFAOYSA-N -1 3 393.403 3.754 20 30 GHEDHM Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(=O)[n-]1 ZINC000541477834 873655852 /nfs/dbraw/zinc/65/58/52/873655852.db2.gz HCEQVUZTPXCJDU-AWEZNQCLSA-N -1 3 387.443 3.590 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1Br ZINC001197310729 873699567 /nfs/dbraw/zinc/69/95/67/873699567.db2.gz IWFIIZQWAJYGJC-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1ccc(-c2ccc(C(=O)[N-]c3nnc(Br)s3)o2)cc1 ZINC001197386709 873757555 /nfs/dbraw/zinc/75/75/55/873757555.db2.gz LTGAQQQPWGWCEH-UHFFFAOYSA-N -1 3 375.207 3.685 20 30 GHEDHM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464418906 873808158 /nfs/dbraw/zinc/80/81/58/873808158.db2.gz IPGKNQWOQNIMAX-HNNXBMFYSA-N -1 3 375.350 3.730 20 30 GHEDHM Cc1ccc(Nc2cccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2)nn1 ZINC000464476697 873964262 /nfs/dbraw/zinc/96/42/62/873964262.db2.gz QLRCAYNPNVHSFN-INIZCTEOSA-N -1 3 397.360 3.854 20 30 GHEDHM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2nc3cc(Cl)ccn3n2)c1 ZINC000464647482 874229649 /nfs/dbraw/zinc/22/96/49/874229649.db2.gz BDAKUEZKESSRCX-UHFFFAOYSA-N -1 3 393.790 3.679 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1cccc(C(F)(F)F)c1 ZINC000770729981 874837150 /nfs/dbraw/zinc/83/71/50/874837150.db2.gz PAIRHIFBDWEQTL-INIZCTEOSA-N -1 3 391.374 3.797 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccn2Cc2ccccc2)n1 ZINC000067893957 877599929 /nfs/dbraw/zinc/59/99/29/877599929.db2.gz KCNZMPZRRMLSKJ-OAHLLOKOSA-N -1 3 379.441 3.660 20 30 GHEDHM Cc1ccc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(=O)[nH]1 ZINC000068723245 878909629 /nfs/dbraw/zinc/90/96/29/878909629.db2.gz OYWJRYOGSYQHCK-NSHDSACASA-N -1 3 377.347 3.802 20 30 GHEDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)c1C ZINC000461209623 879353376 /nfs/dbraw/zinc/35/33/76/879353376.db2.gz DTYGNLQEYUPRNG-UHFFFAOYSA-N -1 3 386.864 3.815 20 30 GHEDHM CC1CC(C#N)(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)C1 ZINC000531568283 880126670 /nfs/dbraw/zinc/12/66/70/880126670.db2.gz IFHJWYDUSIDIQJ-UHFFFAOYSA-N -1 3 393.672 3.793 20 30 GHEDHM C=CCCNC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000855380644 880487896 /nfs/dbraw/zinc/48/78/96/880487896.db2.gz FUDSIDDGGZXXSK-NSHDSACASA-N -1 3 393.336 3.766 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nccc3ccccc32)cnc1Br ZINC000792094124 880922488 /nfs/dbraw/zinc/92/24/88/880922488.db2.gz CTLYIGCBLQXQQV-CQSZACIVSA-N -1 3 382.217 3.891 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(Cl)cc1Cl ZINC000777054844 883369525 /nfs/dbraw/zinc/36/95/25/883369525.db2.gz QIDCFRTUGXZVEN-UHFFFAOYSA-N -1 3 380.231 3.654 20 30 GHEDHM Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000537474459 884417818 /nfs/dbraw/zinc/41/78/18/884417818.db2.gz BFFSGRGATLKDGD-KRWDZBQOSA-N -1 3 394.438 3.886 20 30 GHEDHM Cc1cc(Br)cc2c1NC(=O)C2=N[N-]c1ncccc1C(F)(F)F ZINC000915050564 885554347 /nfs/dbraw/zinc/55/43/47/885554347.db2.gz VWLGKAYHEXMLHR-UHFFFAOYSA-N -1 3 399.170 3.940 20 30 GHEDHM CC(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000171820722 886072946 /nfs/dbraw/zinc/07/29/46/886072946.db2.gz XBJVFYAADDNIEU-UHFFFAOYSA-N -1 3 392.477 3.682 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1cnn(CCF)c1 ZINC000808979626 886957435 /nfs/dbraw/zinc/95/74/35/886957435.db2.gz KQDXRDXPVCSCCH-QGZVFWFLSA-N -1 3 392.390 3.606 20 30 GHEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cccc([O-])c1Br ZINC000459291543 887079298 /nfs/dbraw/zinc/07/92/98/887079298.db2.gz CLLJRBJHWNZOGK-UHFFFAOYSA-N -1 3 375.266 3.675 20 30 GHEDHM CCCCCCN([O-])C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC001184305822 913116768 /nfs/dbraw/zinc/11/67/68/913116768.db2.gz SIKWRRBFZCIRBF-UHFFFAOYSA-N -1 3 381.523 3.726 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001184305322 913116910 /nfs/dbraw/zinc/11/69/10/913116910.db2.gz GJNZPUAVUDDPDY-INIZCTEOSA-N -1 3 397.313 3.852 20 30 GHEDHM COc1ccc(-c2n[nH]cc2C=CC(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000763106655 887668860 /nfs/dbraw/zinc/66/88/60/887668860.db2.gz QWZPPZWLXMHQNX-TWGQIWQCSA-N -1 3 380.400 3.704 20 30 GHEDHM CC(=NNC(=S)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000915924326 888558777 /nfs/dbraw/zinc/55/87/77/888558777.db2.gz BFLFFLJPHCLTEN-UHFFFAOYSA-N -1 3 378.295 3.543 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NC1C[C@@H]3CCCc4cccc1c43)[n-]c2=O ZINC000763362807 888819083 /nfs/dbraw/zinc/81/90/83/888819083.db2.gz HALNYTNCMOKPMS-ZDUSSCGKSA-N -1 3 376.464 3.927 20 30 GHEDHM Cc1cc(C)c(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c(C)c1 ZINC000916321230 888922634 /nfs/dbraw/zinc/92/26/34/888922634.db2.gz VICRHZZQVAXEGF-SFHVURJKSA-N -1 3 380.473 3.887 20 30 GHEDHM FC(F)(F)c1ccc(Br)c(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1 ZINC000811639383 889834753 /nfs/dbraw/zinc/83/47/53/889834753.db2.gz YNNARNDUAMCLIN-UHFFFAOYSA-N -1 3 385.147 3.580 20 30 GHEDHM COC(=O)c1coc(C=CC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)c1 ZINC000870454607 890360696 /nfs/dbraw/zinc/36/06/96/890360696.db2.gz NCGPCDSVCRRAJQ-LFAOLKIESA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1coc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)c1 ZINC000870454607 890360713 /nfs/dbraw/zinc/36/07/13/890360713.db2.gz NCGPCDSVCRRAJQ-LFAOLKIESA-N -1 3 383.425 3.611 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000916905267 890401425 /nfs/dbraw/zinc/40/14/25/890401425.db2.gz BRQLCYZCWSGRBU-LJQANCHMSA-N -1 3 386.455 3.958 20 30 GHEDHM COc1cc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)cc(Cl)c1[O-] ZINC000123531900 890703452 /nfs/dbraw/zinc/70/34/52/890703452.db2.gz NKSQVCITMWOKIT-AATRIKPKSA-N -1 3 391.826 3.926 20 30 GHEDHM CN(CC(C)(C)C#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000497333569 890986147 /nfs/dbraw/zinc/98/61/47/890986147.db2.gz IRMIIVRQXCAGBL-UHFFFAOYSA-N -1 3 396.672 3.566 20 30 GHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000066629094 891125888 /nfs/dbraw/zinc/12/58/88/891125888.db2.gz QYLFPNOYABUMEM-UHFFFAOYSA-N -1 3 396.398 3.938 20 30 GHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000066629094 891125892 /nfs/dbraw/zinc/12/58/92/891125892.db2.gz QYLFPNOYABUMEM-UHFFFAOYSA-N -1 3 396.398 3.938 20 30 GHEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185088654 913629487 /nfs/dbraw/zinc/62/94/87/913629487.db2.gz XSEBENLFWKTGAZ-UHFFFAOYSA-N -1 3 380.492 3.531 20 30 GHEDHM [O-]c1ccc(Br)cc1C=Nc1ccc(CCN2CCOCC2)cc1 ZINC000917558558 892167051 /nfs/dbraw/zinc/16/70/51/892167051.db2.gz XTFUSWSKEPLRAU-UHFFFAOYSA-N -1 3 389.293 3.780 20 30 GHEDHM Cc1c(C=N[N-]c2[nH+]cnc3[n-]cnc32)c2ccccn2c1C(=O)c1ccccc1 ZINC000917555509 892201935 /nfs/dbraw/zinc/20/19/35/892201935.db2.gz LWKMIUXXDOUZLN-UHFFFAOYSA-N -1 3 395.426 3.591 20 30 GHEDHM CN(C)C(=O)Nc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000125171733 892349443 /nfs/dbraw/zinc/34/94/43/892349443.db2.gz GKDCOURHWTYLTJ-YBFXNURJSA-N -1 3 376.254 3.867 20 30 GHEDHM CC(C)(C)c1ncc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000814767872 893153161 /nfs/dbraw/zinc/15/31/61/893153161.db2.gz YRCKVZSKDFDUGY-UHFFFAOYSA-N -1 3 384.534 3.829 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000815022964 893348557 /nfs/dbraw/zinc/34/85/57/893348557.db2.gz FKXOZKLDCLYMCZ-AWEZNQCLSA-N -1 3 390.352 3.697 20 30 GHEDHM N#C[C@@H]1N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCC[C@@]12CCCCO2 ZINC000556092620 893703327 /nfs/dbraw/zinc/70/33/27/893703327.db2.gz IOTHPXFJZUQFQC-KKSFZXQISA-N -1 3 378.432 3.509 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C3CCC3)ccn2)c(C)c1[O-] ZINC001185315873 913802972 /nfs/dbraw/zinc/80/29/72/913802972.db2.gz LUZROHCFNICEMU-UHFFFAOYSA-N -1 3 379.416 3.664 20 30 GHEDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC001185613702 913992131 /nfs/dbraw/zinc/99/21/31/913992131.db2.gz FIFMNPGRVIQWKO-YGRLFVJLSA-N -1 3 395.278 3.516 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000566029716 896057748 /nfs/dbraw/zinc/05/77/48/896057748.db2.gz RXTNNYFRXYQMLR-UHFFFAOYSA-N -1 3 381.480 3.577 20 30 GHEDHM C=CCCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1 ZINC000882704218 896917564 /nfs/dbraw/zinc/91/75/64/896917564.db2.gz UZAXUELUNDICRG-XMMPIXPASA-N -1 3 377.531 3.793 20 30 GHEDHM N#CC1(COC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)CC1 ZINC000826380326 898798380 /nfs/dbraw/zinc/79/83/80/898798380.db2.gz VNDKAUSTKOCLAM-UHFFFAOYSA-N -1 3 395.806 3.773 20 30 GHEDHM N#CC1(COC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)CC1 ZINC000826380326 898798392 /nfs/dbraw/zinc/79/83/92/898798392.db2.gz VNDKAUSTKOCLAM-UHFFFAOYSA-N -1 3 395.806 3.773 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000823898811 899289365 /nfs/dbraw/zinc/28/93/65/899289365.db2.gz CIIRDIFKOLITLE-ZDUSSCGKSA-N -1 3 389.525 3.755 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000823898811 899289371 /nfs/dbraw/zinc/28/93/71/899289371.db2.gz CIIRDIFKOLITLE-ZDUSSCGKSA-N -1 3 389.525 3.755 20 30 GHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c2ccccn21 ZINC000824359298 899553732 /nfs/dbraw/zinc/55/37/32/899553732.db2.gz UWAZIVOVPUYGOQ-CMDGGOBGSA-N -1 3 376.395 3.673 20 30 GHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccn21 ZINC000824359298 899553742 /nfs/dbraw/zinc/55/37/42/899553742.db2.gz UWAZIVOVPUYGOQ-CMDGGOBGSA-N -1 3 376.395 3.673 20 30 GHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400365 899703734 /nfs/dbraw/zinc/70/37/34/899703734.db2.gz XDFJRQVZWFSDES-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400365 899703741 /nfs/dbraw/zinc/70/37/41/899703741.db2.gz XDFJRQVZWFSDES-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc2)C[C@H](C)O1 ZINC000886395749 900979314 /nfs/dbraw/zinc/97/93/14/900979314.db2.gz JPZOGAWWTKDYIS-CALCHBBNSA-N -1 3 399.516 3.557 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000845440287 902151006 /nfs/dbraw/zinc/15/10/06/902151006.db2.gz CIYLYOXFECSXJU-OAHLLOKOSA-N -1 3 399.834 3.651 20 30 GHEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccc2c(c1)OCO2 ZINC000845835359 902445623 /nfs/dbraw/zinc/44/56/23/902445623.db2.gz AHAARXPDNJHGLD-KEDPEKRHSA-N -1 3 379.437 3.961 20 30 GHEDHM N#CC(C(=O)CCC(=O)c1ccc(F)cc1F)=C([O-])C1(c2ccccc2)CC1 ZINC000845840055 902457608 /nfs/dbraw/zinc/45/76/08/902457608.db2.gz YWTFGIBMGDNFIT-QGZVFWFLSA-N -1 3 381.378 3.937 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(=O)c1ccc(F)cc1F ZINC000845840055 902457620 /nfs/dbraw/zinc/45/76/20/902457620.db2.gz YWTFGIBMGDNFIT-QGZVFWFLSA-N -1 3 381.378 3.937 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nc(-c2ccsc2)no1 ZINC000845841034 902458831 /nfs/dbraw/zinc/45/88/31/902458831.db2.gz PAMHPHCTDDVEOG-MRXNPFEDSA-N -1 3 391.452 3.740 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000578421334 903828934 /nfs/dbraw/zinc/82/89/34/903828934.db2.gz NJPVQJRXKWZBGP-KBXCAEBGSA-N -1 3 387.842 3.673 20 30 GHEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000887994869 904100774 /nfs/dbraw/zinc/10/07/74/904100774.db2.gz MVTRZPQTZFCLHE-UHFFFAOYSA-N -1 3 389.253 3.675 20 30 GHEDHM C=CC[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000628489958 906170281 /nfs/dbraw/zinc/17/02/81/906170281.db2.gz LPCIEYJXAYICPZ-UTKZUKDTSA-N -1 3 378.472 3.678 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000193447443 908394162 /nfs/dbraw/zinc/39/41/62/908394162.db2.gz RKYQFJYNQOOTBT-HNNXBMFYSA-N -1 3 383.429 3.840 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c(cccc2C(C)C)C1 ZINC000190678586 908514989 /nfs/dbraw/zinc/51/49/89/908514989.db2.gz JZLBKAFNSLDUSW-UHFFFAOYSA-N -1 3 377.488 3.504 20 30 GHEDHM Cc1c2occ([O-])c2ccc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000634560490 908765526 /nfs/dbraw/zinc/76/55/26/908765526.db2.gz KWYYDDQJEVOIFU-ZDUSSCGKSA-N -1 3 396.468 3.982 20 30 GHEDHM Cc1c2occ([O-])c2ccc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000634560489 908765659 /nfs/dbraw/zinc/76/56/59/908765659.db2.gz KWYYDDQJEVOIFU-CYBMUJFWSA-N -1 3 396.468 3.982 20 30 GHEDHM O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)[N-]C1(C(F)(F)F)CCOCC1 ZINC001179765557 909723998 /nfs/dbraw/zinc/72/39/98/909723998.db2.gz PNCMQODKPBIUPV-OWOJBTEDSA-N -1 3 389.242 3.623 20 30 GHEDHM COC(=O)CN(Cc1ccc(O[C@H](C)C#N)cc1)Cc1cc(Cl)ccc1[O-] ZINC000093277074 912153012 /nfs/dbraw/zinc/15/30/12/912153012.db2.gz DSGVOBBBPBFTAE-CQSZACIVSA-N -1 3 388.851 3.512 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccccc1NC(=O)C1CCCCC1 ZINC001188213101 915834659 /nfs/dbraw/zinc/83/46/59/915834659.db2.gz XQPOJYZPMDTCPP-UHFFFAOYSA-N -1 3 380.448 3.645 20 30 GHEDHM CC(C)(C)c1cc(C(=O)N([O-])C(=N)c2ccccc2N)n(-c2ccccc2)n1 ZINC001190449098 917351506 /nfs/dbraw/zinc/35/15/06/917351506.db2.gz KNEKDYKVAOIPDY-UHFFFAOYSA-N -1 3 377.448 3.609 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(SC(F)(F)F)cc2)c1 ZINC001190661349 917451334 /nfs/dbraw/zinc/45/13/34/917451334.db2.gz SXYCRNWOKJHUNW-UHFFFAOYSA-N -1 3 390.383 3.788 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)c(OC)c(C)c2)c(C)c1[O-] ZINC001191071563 917737745 /nfs/dbraw/zinc/73/77/45/917737745.db2.gz TXPXQLINAGGIGX-UHFFFAOYSA-N -1 3 382.416 3.627 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)NCCCc2ccccc2)c(C)c1[O-] ZINC001191209446 917825593 /nfs/dbraw/zinc/82/55/93/917825593.db2.gz VDFQHGBVEIGIHE-UHFFFAOYSA-N -1 3 381.432 3.503 20 30 GHEDHM N#CC(=C([O-])c1ccc(Cn2cccn2)cc1)c1nc(-c2ccncc2)cs1 ZINC000114619578 919408626 /nfs/dbraw/zinc/40/86/26/919408626.db2.gz APJALFGYUKEEHX-GOSISDBHSA-N -1 3 385.452 3.940 20 30 GHEDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)cn1 ZINC000297918663 919960615 /nfs/dbraw/zinc/96/06/15/919960615.db2.gz XZZRLUABQVYKSD-UHFFFAOYSA-N -1 3 386.477 3.915 20 30 GHEDHM Cc1sc2ncc(C(=O)N([O-])Cc3cccc4ccccc43)c(=O)n2c1C ZINC000901371788 921047869 /nfs/dbraw/zinc/04/78/69/921047869.db2.gz ZBPRBTIXGMRPTQ-UHFFFAOYSA-N -1 3 379.441 3.558 20 30 GHEDHM O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N([O-])Cc1ccc(F)cc1 ZINC000901372933 921049074 /nfs/dbraw/zinc/04/90/74/921049074.db2.gz POGYKQKKXZFGFM-USXIJHARSA-N -1 3 376.225 3.892 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(N3CCSCC3)c(Cl)c2)c1[O-] ZINC000748584334 923727646 /nfs/dbraw/zinc/72/76/46/923727646.db2.gz NWOZFLBXLVIFKE-UHFFFAOYSA-N -1 3 377.897 3.545 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000373018820 925816948 /nfs/dbraw/zinc/81/69/48/925816948.db2.gz LYVZBOUESPCMSO-UHFFFAOYSA-N -1 3 398.894 3.663 20 30 GHEDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)cn1 ZINC000410929725 925935516 /nfs/dbraw/zinc/93/55/16/925935516.db2.gz LZWJUXJKSVUHTQ-UHFFFAOYSA-N -1 3 386.477 3.915 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)C[C@H](C)C3)c(=O)[n-]1 ZINC000411010790 925990349 /nfs/dbraw/zinc/99/03/49/925990349.db2.gz KXLRANQGVNTEMZ-QWRGUYRKSA-N -1 3 384.505 3.989 20 30 GHEDHM Cc1ccccc1[C@]1(F)CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000374286974 926982550 /nfs/dbraw/zinc/98/25/50/926982550.db2.gz ILVJVMDSFYSUMJ-QFIPXVFZSA-N -1 3 381.451 3.614 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(Oc3ccccc3)c2)cc1 ZINC000749338004 927058657 /nfs/dbraw/zinc/05/86/57/927058657.db2.gz LOOAXIJCQGZTNF-IBGZPJMESA-N -1 3 387.395 3.844 20 30 GHEDHM COc1cc(F)c([C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)c1 ZINC000750320908 927554591 /nfs/dbraw/zinc/55/45/91/927554591.db2.gz NUPLDGUTMDBBKG-GFCCVEGCSA-N -1 3 390.386 3.800 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000750393245 927599586 /nfs/dbraw/zinc/59/95/86/927599586.db2.gz YUUSNHCDCKASES-HNNXBMFYSA-N -1 3 376.803 3.758 20 30 GHEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccccc1OC ZINC000412986742 928074746 /nfs/dbraw/zinc/07/47/46/928074746.db2.gz XLDAZZLGQOIRKI-UHFFFAOYSA-N -1 3 395.488 3.805 20 30 GHEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3SCC#N)cc2)n1 ZINC000751373875 928161758 /nfs/dbraw/zinc/16/17/58/928161758.db2.gz OSBLBZFMWNJYOC-UHFFFAOYSA-N -1 3 376.441 3.613 20 30 GHEDHM C=C(C)CN(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000470926464 931039321 /nfs/dbraw/zinc/03/93/21/931039321.db2.gz QNQWERCHQBYTGE-UHFFFAOYSA-N -1 3 397.500 3.658 20 30 GHEDHM C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000783873835 931700993 /nfs/dbraw/zinc/70/09/93/931700993.db2.gz BUHFVMPTBZOYSD-FQEVSTJZSA-N -1 3 394.471 3.533 20 30 GHEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccc(-c2ccccc2)o1 ZINC000784828726 932010423 /nfs/dbraw/zinc/01/04/23/932010423.db2.gz RWGPQQGGBWLYQJ-MRXNPFEDSA-N -1 3 388.379 3.679 20 30 GHEDHM COCCCN=c1scc(-c2ccc(O)cc2[O-])n1N=C1CCCCC1 ZINC001115823508 933212899 /nfs/dbraw/zinc/21/28/99/933212899.db2.gz DLYJZESKDMODBO-UHFFFAOYSA-N -1 3 375.494 3.733 20 30 GHEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1cnc2ccccc2n1 ZINC000560595958 933372152 /nfs/dbraw/zinc/37/21/52/933372152.db2.gz SUYRAQPAMOYAPU-LBPRGKRZSA-N -1 3 392.216 3.530 20 30 GHEDHM C#CCC1(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCCCC1 ZINC001573284608 946752630 /nfs/dbraw/zinc/75/26/30/946752630.db2.gz HJRZSIBITIMNJT-UHFFFAOYSA-N -1 3 392.488 3.903 20 30 GHEDHM C#CCC1(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCCCC1 ZINC001573284608 946752636 /nfs/dbraw/zinc/75/26/36/946752636.db2.gz HJRZSIBITIMNJT-UHFFFAOYSA-N -1 3 392.488 3.903 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1noc(C(C)(C)C)c1C ZINC001573341412 947529597 /nfs/dbraw/zinc/52/95/97/947529597.db2.gz MQKLYRBCXPMNSJ-UHFFFAOYSA-N -1 3 395.467 3.681 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1noc(C(C)(C)C)c1C ZINC001573341412 947529604 /nfs/dbraw/zinc/52/96/04/947529604.db2.gz MQKLYRBCXPMNSJ-UHFFFAOYSA-N -1 3 395.467 3.681 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1Cl ZINC000157839784 1014730713 /nfs/dbraw/zinc/73/07/13/1014730713.db2.gz RQZGFYKRZQKCNA-UHFFFAOYSA-N -1 3 393.921 3.566 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000468364911 1015630416 /nfs/dbraw/zinc/63/04/16/1015630416.db2.gz PFSIFAVYVVPZTN-CYBMUJFWSA-N -1 3 385.414 3.632 20 30 GHEDHM COc1cc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)ccc1C#N ZINC001599414946 997489933 /nfs/dbraw/zinc/48/99/33/997489933.db2.gz BPUQRLKLTBTVQW-UHFFFAOYSA-N -1 3 379.441 3.678 20 30 GHEDHM COc1cc(CNCc2ccc(C#N)cc2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599415491 997501080 /nfs/dbraw/zinc/50/10/80/997501080.db2.gz SIPUNKOIWDOSCV-UHFFFAOYSA-N -1 3 392.411 3.727 20 30 GHEDHM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCCC(C)(C)C#N)c1 ZINC001599474869 998512819 /nfs/dbraw/zinc/51/28/19/998512819.db2.gz KCJZCJNFGWTVEV-HNNXBMFYSA-N -1 3 383.286 3.845 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(C(F)(F)F)cs1 ZINC000546770838 1016742449 /nfs/dbraw/zinc/74/24/49/1016742449.db2.gz YYIABZJNOXHWAE-JTQLQIEISA-N -1 3 381.445 3.616 20 30 GHEDHM [O-]N=C(Nc1ccc(-c2ccccn2)nn1)c1ccc(OC(F)(F)F)cc1 ZINC001155914454 1032791620 /nfs/dbraw/zinc/79/16/20/1032791620.db2.gz RGESMDMJLHXRKD-UHFFFAOYSA-N -1 3 375.310 3.685 20 30 GHEDHM C[C@@H]1CCCN(c2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ncn2)C1 ZINC001155914448 1032791788 /nfs/dbraw/zinc/79/17/88/1032791788.db2.gz QZVCBYCWDIIGNE-GFCCVEGCSA-N -1 3 395.385 3.859 20 30 GHEDHM CCOC(=O)[C@@H]1CC[C@H](Oc2ccccc2N=CC=Nc2ccccc2[O-])CO1 ZINC001228127432 1032797577 /nfs/dbraw/zinc/79/75/77/1032797577.db2.gz RVJJKHZONZJUEV-KKSFZXQISA-N -1 3 396.443 3.987 20 30 GHEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1 ZINC001141380719 1024788728 /nfs/dbraw/zinc/78/87/28/1024788728.db2.gz ZWZOZQZQSSBQND-CQSZACIVSA-N -1 3 397.283 3.865 20 30 GHEDHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3n[nH]c(-c4cccc(C#N)c4)n3)s2)o1 ZINC001161913734 1025492492 /nfs/dbraw/zinc/49/24/92/1025492492.db2.gz HCSGQNDCMGSLIG-UHFFFAOYSA-N -1 3 390.428 3.929 20 30 GHEDHM COC(=O)n1ccc2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)nc21 ZINC001163766053 1026309056 /nfs/dbraw/zinc/30/90/56/1026309056.db2.gz RXZXSNNBFMPANR-UHFFFAOYSA-N -1 3 394.309 3.797 20 30 GHEDHM C[C@H]1Oc2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC001163765547 1026309293 /nfs/dbraw/zinc/30/92/93/1026309293.db2.gz GTVFPUGQKZLBRN-SECBINFHSA-N -1 3 381.310 3.553 20 30 GHEDHM N#CCc1ccc([N+](=O)[O-])c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001163769191 1026310080 /nfs/dbraw/zinc/31/00/80/1026310080.db2.gz RMUYTOGCNQHVDR-UHFFFAOYSA-N -1 3 380.282 3.807 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2ccc3c(c2)C(=O)c2ccccc2CO3)ccc1[O-] ZINC001142425714 1028875058 /nfs/dbraw/zinc/87/50/58/1028875058.db2.gz ZTMQHYVHMYSRIM-UHFFFAOYSA-N -1 3 384.391 3.568 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1 ZINC000842289633 1029182093 /nfs/dbraw/zinc/18/20/93/1029182093.db2.gz FZJKNPBSHUKXBA-KRWDZBQOSA-N -1 3 395.415 3.906 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nc3c(cccc3F)s2)c(C)c1[O-] ZINC001152630777 1031308725 /nfs/dbraw/zinc/30/87/25/1031308725.db2.gz AMZNPTZUFKOWAT-UHFFFAOYSA-N -1 3 399.403 3.750 20 30 GHEDHM Cc1csc2[n-]c(=S)nc(O[C@H]3CCN(Cc4ccccc4C#N)C3)c12 ZINC001229352167 1033432202 /nfs/dbraw/zinc/43/22/02/1033432202.db2.gz GUUZDSITBQYBQA-HNNXBMFYSA-N -1 3 382.514 3.813 20 30 GHEDHM N#Cc1ccc(Cl)nc1C(F)(F)NCc1cc(Br)ccc1[O-] ZINC001160019195 1034831723 /nfs/dbraw/zinc/83/17/23/1034831723.db2.gz BHFDRIJQNRNZNY-UHFFFAOYSA-N -1 3 388.599 3.914 20 30 GHEDHM CCc1ccccc1N1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CC1=O ZINC001161807223 1035306432 /nfs/dbraw/zinc/30/64/32/1035306432.db2.gz FIIYNNAIPRUFOL-HXUWFJFHSA-N -1 3 380.488 3.843 20 30 GHEDHM CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CO1 ZINC001161819804 1035308376 /nfs/dbraw/zinc/30/83/76/1035308376.db2.gz WMXFPSQSHDUJBY-MOPGFXCFSA-N -1 3 391.508 3.754 20 30 GHEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277834756 1039883471 /nfs/dbraw/zinc/88/34/71/1039883471.db2.gz UILDTKXFPUEHID-HXUWFJFHSA-N -1 3 378.900 3.587 20 30 GHEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236683065 1041829034 /nfs/dbraw/zinc/82/90/34/1041829034.db2.gz GHANPUWZDCCQRA-IBGZPJMESA-N -1 3 393.325 3.688 20 30 GHEDHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)cc1 ZINC001260577149 1045564439 /nfs/dbraw/zinc/56/44/39/1045564439.db2.gz INMPHPVHNGKQFJ-UHFFFAOYSA-N -1 3 387.501 3.789 20 30 GHEDHM O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N([O-])Cc1ccccc1Cl ZINC001306894212 1048948878 /nfs/dbraw/zinc/94/88/78/1048948878.db2.gz ITNXPABIKODVQN-HNNXBMFYSA-N -1 3 379.243 3.764 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)c(Cl)c1Cl ZINC001309169553 1050426235 /nfs/dbraw/zinc/42/62/35/1050426235.db2.gz COWNWMSLCFRLJS-MRVPVSSYSA-N -1 3 390.679 3.953 20 30 GHEDHM N#CC[C@@H]1CCCN(c2nnc(CCc3cccc(Cl)c3[O-])n2CC2CC2)C1 ZINC001345882576 1055310934 /nfs/dbraw/zinc/31/09/34/1055310934.db2.gz RWBVCJLIGSVINV-HNNXBMFYSA-N -1 3 399.926 3.962 20 30 GHEDHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001320121791 1055663364 /nfs/dbraw/zinc/66/33/64/1055663364.db2.gz PVWWLMDXZDEDKH-HNNXBMFYSA-N -1 3 386.455 3.839 20 30 GHEDHM N#Cc1ccc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nc1Cl ZINC001354768617 1056932635 /nfs/dbraw/zinc/93/26/35/1056932635.db2.gz RHBVKGSSSOGKOX-UHFFFAOYSA-N -1 3 390.255 3.955 20 30 GHEDHM C[C@H]1CCc2nc([N-]C(=O)c3nc(Br)ccc3F)c(C#N)cc2C1 ZINC001337625980 1058189724 /nfs/dbraw/zinc/18/97/24/1058189724.db2.gz ATVCYUZSWCPJPI-VIFPVBQESA-N -1 3 389.228 3.627 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1nccs1 ZINC001440214599 1058467915 /nfs/dbraw/zinc/46/79/15/1058467915.db2.gz YFVPJOATTGJYBT-UHFFFAOYSA-N -1 3 378.457 3.971 20 30 GHEDHM COc1cc([C@H](C#N)NC(=O)c2cc3sccc3c([O-])c2)cc(OC)c1OC ZINC001442580922 1058979354 /nfs/dbraw/zinc/97/93/54/1058979354.db2.gz IUUJGMYFUIDOEB-AWEZNQCLSA-N -1 3 398.440 3.627 20 30 GHEDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3c(C#N)cnc4c(Cl)cccc43)C2)n1 ZINC001339814466 1059495391 /nfs/dbraw/zinc/49/53/91/1059495391.db2.gz BRVBZAASNXHEKI-CQSZACIVSA-N -1 3 394.866 3.645 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2c(Cl)cccc2C1 ZINC001341739828 1060851518 /nfs/dbraw/zinc/85/15/18/1060851518.db2.gz NQPFTLVENUFBRD-UHFFFAOYSA-N -1 3 396.882 3.541 20 30 GHEDHM Cc1c(Br)cc(F)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001342258950 1061181043 /nfs/dbraw/zinc/18/10/43/1061181043.db2.gz IFKJOWLNZBYHAZ-CYBMUJFWSA-N -1 3 391.244 3.705 20 30 GHEDHM O=C([C@@H]1CCC(=O)N(c2cccc(F)c2)C1)N([O-])Cc1ccccc1Cl ZINC001457992699 1063491154 /nfs/dbraw/zinc/49/11/54/1063491154.db2.gz JCYOVYJAUWXFJX-CQSZACIVSA-N -1 3 376.815 3.640 20 30 GHEDHM O=C([C@@H]1CCCN(CC(F)(F)F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457991801 1063491343 /nfs/dbraw/zinc/49/13/43/1063491343.db2.gz AHZMZYPGFRRBTN-LLVKDONJSA-N -1 3 385.213 3.986 20 30 GHEDHM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001458007260 1063503825 /nfs/dbraw/zinc/50/38/25/1063503825.db2.gz HNOBZYMIUCOUJZ-QGZVFWFLSA-N -1 3 376.497 3.873 20 30 GHEDHM C[C@H]1CN(c2ccc(C(=O)N([O-])Cc3cccc4ccccc43)cn2)C[C@H](C)O1 ZINC001458015069 1063507286 /nfs/dbraw/zinc/50/72/86/1063507286.db2.gz BYRWNMFWALDKEX-IRXDYDNUSA-N -1 3 391.471 3.880 20 30 GHEDHM C[C@@H]1CN(c2ccc(C(=O)N([O-])Cc3cccc4ccccc43)cn2)C[C@H](C)O1 ZINC001458015062 1063507668 /nfs/dbraw/zinc/50/76/68/1063507668.db2.gz BYRWNMFWALDKEX-CALCHBBNSA-N -1 3 391.471 3.880 20 30 GHEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 ZINC001464922084 1065274172 /nfs/dbraw/zinc/27/41/72/1065274172.db2.gz BJSDFNVTKKRXCR-OAHLLOKOSA-N -1 3 389.333 3.530 20 30 GHEDHM C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001466449369 1066159645 /nfs/dbraw/zinc/15/96/45/1066159645.db2.gz PCNBVZSIABNQQS-HZGVNTEJSA-N -1 3 399.270 3.626 20 30 GHEDHM C=CCCC[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC001468638138 1067801685 /nfs/dbraw/zinc/80/16/85/1067801685.db2.gz UUBZLJXXBXOJEK-MRXNPFEDSA-N -1 3 379.460 3.661 20 30 GHEDHM N#Cc1ccc(Nc2cccc(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)c2)cc1 ZINC001470697538 1072690943 /nfs/dbraw/zinc/69/09/43/1072690943.db2.gz DCPHQTVDSGKHLM-UHFFFAOYSA-N -1 3 399.454 3.995 20 30 GHEDHM CCOC(=O)N1CCC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001472616125 1073576815 /nfs/dbraw/zinc/57/68/15/1073576815.db2.gz MHMFNQXRRANAJS-LBPRGKRZSA-N -1 3 375.252 3.580 20 30 GHEDHM COc1ccc(C(=O)CCC(=O)N([O-])Cc2ccccc2Cl)cc1OC ZINC001472619093 1073579223 /nfs/dbraw/zinc/57/92/23/1073579223.db2.gz WGNWWDUEPPQVNJ-UHFFFAOYSA-N -1 3 377.824 3.738 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1nc(C(F)(F)F)cs1 ZINC001475240663 1074801260 /nfs/dbraw/zinc/80/12/60/1074801260.db2.gz BONZXOZTPAGCDJ-ZETCQYMHSA-N -1 3 395.815 3.726 20 30 GHEDHM CC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)CC(F)(F)F ZINC001475398469 1074861052 /nfs/dbraw/zinc/86/10/52/1074861052.db2.gz ZLQJURXCYPJEQU-VIFPVBQESA-N -1 3 399.232 3.578 20 30 GHEDHM CCCCCCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001475793914 1075023098 /nfs/dbraw/zinc/02/30/98/1075023098.db2.gz RGEGXFRXVXOJTK-JXFKEZNVSA-N -1 3 381.538 3.842 20 30 GHEDHM C=C(C)CN(CC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735398599 598905917 /nfs/dbraw/zinc/90/59/17/598905917.db2.gz KFBKHTSRDBGMFP-UHFFFAOYSA-N -1 3 382.493 3.703 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1-c1nnn[n-]1 ZINC000737719924 598921986 /nfs/dbraw/zinc/92/19/86/598921986.db2.gz XASMCXRGXOAGHC-UHFFFAOYSA-N -1 3 390.790 3.904 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1-c1nn[n-]n1 ZINC000737719924 598921987 /nfs/dbraw/zinc/92/19/87/598921987.db2.gz XASMCXRGXOAGHC-UHFFFAOYSA-N -1 3 390.790 3.904 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CCCCC2)ccc1-c1nnn[n-]1 ZINC000737706796 598928773 /nfs/dbraw/zinc/92/87/73/598928773.db2.gz ZYKFAGUQJNGVGH-UHFFFAOYSA-N -1 3 390.422 3.718 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CCCCC2)ccc1-c1nn[n-]n1 ZINC000737706796 598928774 /nfs/dbraw/zinc/92/87/74/598928774.db2.gz ZYKFAGUQJNGVGH-UHFFFAOYSA-N -1 3 390.422 3.718 20 30 GHEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000819772329 607254292 /nfs/dbraw/zinc/25/42/92/607254292.db2.gz CWUVEZBMUPGLTM-LBPRGKRZSA-N -1 3 377.477 3.746 20 30 GHEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000819772329 607254293 /nfs/dbraw/zinc/25/42/93/607254293.db2.gz CWUVEZBMUPGLTM-LBPRGKRZSA-N -1 3 377.477 3.746 20 30 GHEDHM N#CCCCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822806924 599114561 /nfs/dbraw/zinc/11/45/61/599114561.db2.gz WEFJLFOBIZSCBA-ATVHPVEESA-N -1 3 385.427 3.762 20 30 GHEDHM N#CCCCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822806924 599114564 /nfs/dbraw/zinc/11/45/64/599114564.db2.gz WEFJLFOBIZSCBA-ATVHPVEESA-N -1 3 385.427 3.762 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC(F)F ZINC000821786413 599113071 /nfs/dbraw/zinc/11/30/71/599113071.db2.gz DGWDKFCASRFXJE-JYRVWZFOSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC(F)F ZINC000821786413 599113072 /nfs/dbraw/zinc/11/30/72/599113072.db2.gz DGWDKFCASRFXJE-JYRVWZFOSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OC(F)F ZINC000821712755 599113523 /nfs/dbraw/zinc/11/35/23/599113523.db2.gz MBQVMWNLORIJON-JYRVWZFOSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OC(F)F ZINC000821712755 599113526 /nfs/dbraw/zinc/11/35/26/599113526.db2.gz MBQVMWNLORIJON-JYRVWZFOSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1SC ZINC000821712947 599116378 /nfs/dbraw/zinc/11/63/78/599116378.db2.gz OXXAGGZFNZYZQZ-NTEUORMPSA-N -1 3 378.457 3.810 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1SC ZINC000821712947 599116382 /nfs/dbraw/zinc/11/63/82/599116382.db2.gz OXXAGGZFNZYZQZ-NTEUORMPSA-N -1 3 378.457 3.810 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000737080756 599151136 /nfs/dbraw/zinc/15/11/36/599151136.db2.gz HGUQNUHVUTWQGV-ALCCZGGFSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000737080756 599151137 /nfs/dbraw/zinc/15/11/37/599151137.db2.gz HGUQNUHVUTWQGV-ALCCZGGFSA-N -1 3 385.221 3.534 20 30 GHEDHM CC(C)(C)C=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735595563 599218526 /nfs/dbraw/zinc/21/85/26/599218526.db2.gz GSWPMIBAJNIRDI-CKXPSTMWSA-N -1 3 378.461 3.769 20 30 GHEDHM CC(C)(C)C=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735595563 599218529 /nfs/dbraw/zinc/21/85/29/599218529.db2.gz GSWPMIBAJNIRDI-CKXPSTMWSA-N -1 3 378.461 3.769 20 30 GHEDHM COc1ccc(C)cc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737076567 598314180 /nfs/dbraw/zinc/31/41/80/598314180.db2.gz JNFIJRPJQNUMMM-UHFFFAOYSA-N -1 3 376.342 3.649 20 30 GHEDHM COc1ccc(C)cc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737076567 598314182 /nfs/dbraw/zinc/31/41/82/598314182.db2.gz JNFIJRPJQNUMMM-UHFFFAOYSA-N -1 3 376.342 3.649 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)Sc1ccccc1 ZINC000735418369 598655692 /nfs/dbraw/zinc/65/56/92/598655692.db2.gz CBTKIVITDJHPBA-LJQANCHMSA-N -1 3 393.516 3.952 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)Sc1ccccc1 ZINC000735418369 598655694 /nfs/dbraw/zinc/65/56/94/598655694.db2.gz CBTKIVITDJHPBA-LJQANCHMSA-N -1 3 393.516 3.952 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)Sc1ccccc1 ZINC000735418366 598655768 /nfs/dbraw/zinc/65/57/68/598655768.db2.gz CBTKIVITDJHPBA-IBGZPJMESA-N -1 3 393.516 3.952 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)Sc1ccccc1 ZINC000735418366 598655770 /nfs/dbraw/zinc/65/57/70/598655770.db2.gz CBTKIVITDJHPBA-IBGZPJMESA-N -1 3 393.516 3.952 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](CC)c1ccccc1 ZINC000735420155 598736871 /nfs/dbraw/zinc/73/68/71/598736871.db2.gz MSZBVELTSAIGAO-SFHVURJKSA-N -1 3 375.476 3.965 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](CC)c1ccccc1 ZINC000735420155 598736872 /nfs/dbraw/zinc/73/68/72/598736872.db2.gz MSZBVELTSAIGAO-SFHVURJKSA-N -1 3 375.476 3.965 20 30 GHEDHM Clc1ccc(OC[C@H]2CCCO2)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822578893 599338074 /nfs/dbraw/zinc/33/80/74/599338074.db2.gz SRLYUFAKFSJSMO-QGZVFWFLSA-N -1 3 398.854 3.524 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)ccc1OC ZINC000820841680 599558027 /nfs/dbraw/zinc/55/80/27/599558027.db2.gz BQNLPMPIEXWMLA-ZDUSSCGKSA-N -1 3 398.854 3.822 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)ccc1OC ZINC000820841680 599558028 /nfs/dbraw/zinc/55/80/28/599558028.db2.gz BQNLPMPIEXWMLA-ZDUSSCGKSA-N -1 3 398.854 3.822 20 30 GHEDHM CC(C)Oc1ccc(NC(=O)c2ccccc2SCC#N)cc1-c1nnn[n-]1 ZINC000820174808 607397263 /nfs/dbraw/zinc/39/72/63/607397263.db2.gz YLOLJZSRSSNQAC-UHFFFAOYSA-N -1 3 394.460 3.522 20 30 GHEDHM CC(C)Oc1ccc(NC(=O)c2ccccc2SCC#N)cc1-c1nn[n-]n1 ZINC000820174808 607397265 /nfs/dbraw/zinc/39/72/65/607397265.db2.gz YLOLJZSRSSNQAC-UHFFFAOYSA-N -1 3 394.460 3.522 20 30 GHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nnn[n-]4)cc3F)C2=O)c(F)c1 ZINC000822825446 607455333 /nfs/dbraw/zinc/45/53/33/607455333.db2.gz GISFDHHDRRXSRN-BVXMOGEKSA-N -1 3 389.365 3.846 20 30 GHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nn[n-]n4)cc3F)C2=O)c(F)c1 ZINC000822825446 607455335 /nfs/dbraw/zinc/45/53/35/607455335.db2.gz GISFDHHDRRXSRN-BVXMOGEKSA-N -1 3 389.365 3.846 20 30 GHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000821703084 607457808 /nfs/dbraw/zinc/45/78/08/607457808.db2.gz NVKAJCGKAZFBNJ-XQRVVYSFSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1OC(F)F ZINC000821703084 607457809 /nfs/dbraw/zinc/45/78/09/607457809.db2.gz NVKAJCGKAZFBNJ-XQRVVYSFSA-N -1 3 390.321 3.512 20 30 GHEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000739303934 602671007 /nfs/dbraw/zinc/67/10/07/602671007.db2.gz NCDCMCMMUAFMTN-BXKDBHETSA-N -1 3 379.388 3.701 20 30 GHEDHM N#Cc1csc(C=C2CSCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822845735 606304867 /nfs/dbraw/zinc/30/48/67/606304867.db2.gz GGZJXXQKLLZLRL-FFDVJLSRSA-N -1 3 397.510 3.644 20 30 GHEDHM N#Cc1csc(C=C2CSCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822845735 606304869 /nfs/dbraw/zinc/30/48/69/606304869.db2.gz GGZJXXQKLLZLRL-FFDVJLSRSA-N -1 3 397.510 3.644 20 30 GHEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccccc2)cs1 ZINC000819739700 606477337 /nfs/dbraw/zinc/47/73/37/606477337.db2.gz DNUSYSYPIZDXHG-UHFFFAOYSA-N -1 3 394.485 3.885 20 30 GHEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccccc2)cs1 ZINC000819739700 606477339 /nfs/dbraw/zinc/47/73/39/606477339.db2.gz DNUSYSYPIZDXHG-UHFFFAOYSA-N -1 3 394.485 3.885 20 30 GHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(Br)ccc1F ZINC000819772955 606835783 /nfs/dbraw/zinc/83/57/83/606835783.db2.gz NLERMDHLUVZNAO-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(Br)ccc1F ZINC000819772955 606835784 /nfs/dbraw/zinc/83/57/84/606835784.db2.gz NLERMDHLUVZNAO-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccccn1 ZINC000819765839 607019048 /nfs/dbraw/zinc/01/90/48/607019048.db2.gz SJTGUOLFYQSQGQ-ZDUSSCGKSA-N -1 3 390.476 3.560 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccccn1 ZINC000819765839 607019049 /nfs/dbraw/zinc/01/90/49/607019049.db2.gz SJTGUOLFYQSQGQ-ZDUSSCGKSA-N -1 3 390.476 3.560 20 30 GHEDHM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000819766328 607169249 /nfs/dbraw/zinc/16/92/49/607169249.db2.gz WUQDFXFYNNNIQQ-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C=CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000819766328 607169250 /nfs/dbraw/zinc/16/92/50/607169250.db2.gz WUQDFXFYNNNIQQ-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM N#CCC[C@H](C#N)COc1ccccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826381430 607877720 /nfs/dbraw/zinc/87/77/20/607877720.db2.gz LSIBZMIEAZQKSC-CYBMUJFWSA-N -1 3 378.367 3.620 20 30 GHEDHM N#CCC[C@H](C#N)COc1ccccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826381430 607877721 /nfs/dbraw/zinc/87/77/21/607877721.db2.gz LSIBZMIEAZQKSC-CYBMUJFWSA-N -1 3 378.367 3.620 20 30 GHEDHM N#Cc1ccc([C@@H](O)COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000826385016 607878104 /nfs/dbraw/zinc/87/81/04/607878104.db2.gz UBYIKJJTKSIEMF-NRFANRHFSA-N -1 3 399.410 3.643 20 30 GHEDHM N#Cc1ccc([C@@H](O)COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000826385016 607878105 /nfs/dbraw/zinc/87/81/05/607878105.db2.gz UBYIKJJTKSIEMF-NRFANRHFSA-N -1 3 399.410 3.643 20 30 GHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccccc1 ZINC000823883006 607978013 /nfs/dbraw/zinc/97/80/13/607978013.db2.gz IHRVTQRNLSOKGM-OAHLLOKOSA-N -1 3 377.448 3.952 20 30 GHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccccc1 ZINC000823883006 607978014 /nfs/dbraw/zinc/97/80/14/607978014.db2.gz IHRVTQRNLSOKGM-OAHLLOKOSA-N -1 3 377.448 3.952 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1cc(F)ccc1F ZINC000823909795 608059410 /nfs/dbraw/zinc/05/94/10/608059410.db2.gz RBZGLIKAQLFDPI-UHFFFAOYSA-N -1 3 397.429 3.682 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1cc(F)ccc1F ZINC000823909795 608059411 /nfs/dbraw/zinc/05/94/11/608059411.db2.gz RBZGLIKAQLFDPI-UHFFFAOYSA-N -1 3 397.429 3.682 20 30 GHEDHM N#Cc1cccc(SCCOCCSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826387414 608111070 /nfs/dbraw/zinc/11/10/70/608111070.db2.gz UJUOZFODBYSKMV-UHFFFAOYSA-N -1 3 383.502 3.639 20 30 GHEDHM N#Cc1cccc(SCCOCCSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826387414 608111071 /nfs/dbraw/zinc/11/10/71/608111071.db2.gz UJUOZFODBYSKMV-UHFFFAOYSA-N -1 3 383.502 3.639 20 30 GHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826395450 608288646 /nfs/dbraw/zinc/28/86/46/608288646.db2.gz BXLDPCCWUWVWKK-DUXPYHPUSA-N -1 3 378.194 3.791 20 30 GHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826395450 608288648 /nfs/dbraw/zinc/28/86/48/608288648.db2.gz BXLDPCCWUWVWKK-DUXPYHPUSA-N -1 3 378.194 3.791 20 30 GHEDHM CS[C@@H](C)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826224380 608331536 /nfs/dbraw/zinc/33/15/36/608331536.db2.gz BRPVHELBQSUZIV-SMDDNHRTSA-N -1 3 398.517 3.698 20 30 GHEDHM CS[C@@H](C)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826224380 608331537 /nfs/dbraw/zinc/33/15/37/608331537.db2.gz BRPVHELBQSUZIV-SMDDNHRTSA-N -1 3 398.517 3.698 20 30 GHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826262562 608669472 /nfs/dbraw/zinc/66/94/72/608669472.db2.gz SAFSKQDJTWWTCC-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826262562 608669473 /nfs/dbraw/zinc/66/94/73/608669473.db2.gz SAFSKQDJTWWTCC-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM N#Cc1ccccc1COc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826387200 608869395 /nfs/dbraw/zinc/86/93/95/608869395.db2.gz KKQQQEIFKGXOGK-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1ccccc1COc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826387200 608869396 /nfs/dbraw/zinc/86/93/96/608869396.db2.gz KKQQQEIFKGXOGK-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475450 608878262 /nfs/dbraw/zinc/87/82/62/608878262.db2.gz GJLRHBJEPIAWKJ-YVKOIJOCSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475450 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GHEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OCC ZINC000825638758 609269876 /nfs/dbraw/zinc/26/98/76/609269876.db2.gz OOKTZANOTUBFOQ-UITAMQMPSA-N -1 3 382.395 3.699 20 30 GHEDHM COc1cc(C)c(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000826177498 609470718 /nfs/dbraw/zinc/47/07/18/609470718.db2.gz KTQOSXTUDFMLFT-UHFFFAOYSA-N -1 3 386.843 3.682 20 30 GHEDHM COc1cc(C)c(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000826177498 609470720 /nfs/dbraw/zinc/47/07/20/609470720.db2.gz KTQOSXTUDFMLFT-UHFFFAOYSA-N -1 3 386.843 3.682 20 30 GHEDHM N#CCc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000826382872 609488439 /nfs/dbraw/zinc/48/84/39/609488439.db2.gz YQJSVYPHCDHHET-UHFFFAOYSA-N -1 3 387.415 3.968 20 30 GHEDHM N#CCc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000826382872 609488442 /nfs/dbraw/zinc/48/84/42/609488442.db2.gz YQJSVYPHCDHHET-UHFFFAOYSA-N -1 3 387.415 3.968 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(N(C)C)cc(C(F)(F)F)c3)nc1-2 ZINC000659108658 837570095 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Cn1cc([C@@H]([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)C(F)(F)F)cn1 ZINC000683669982 838239220 /nfs/dbraw/zinc/23/92/20/838239220.db2.gz YOMUQIGYVIALFW-LLVKDONJSA-N -1 3 387.230 3.751 20 30 GHEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000124313267 840886119 /nfs/dbraw/zinc/88/61/19/840886119.db2.gz NBOPROZWCRDBFC-UHFFFAOYSA-N -1 3 377.263 3.898 20 30 GHEDHM C#CCOc1cccc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000730699025 861231597 /nfs/dbraw/zinc/23/15/97/861231597.db2.gz BQHBYVARYJUSSG-INIZCTEOSA-N -1 3 378.428 3.525 20 30 GHEDHM C=CC(C)(C)CCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000628314259 843095212 /nfs/dbraw/zinc/09/52/12/843095212.db2.gz SDHQYBWAPHDUHP-UHFFFAOYSA-N -1 3 387.505 3.670 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1Cl ZINC000121779503 846524920 /nfs/dbraw/zinc/52/49/20/846524920.db2.gz IWMUQAAMVPISSK-CQSZACIVSA-N -1 3 387.779 3.526 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000502970176 846657128 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C=CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000110969244 856720491 /nfs/dbraw/zinc/72/04/91/856720491.db2.gz NKTBUIRSHBYVCM-UHFFFAOYSA-N -1 3 388.464 3.665 20 30 GHEDHM N#Cc1ccc(NCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)cc1 ZINC000508072325 856891315 /nfs/dbraw/zinc/89/13/15/856891315.db2.gz RCYPBGAZTBQOSO-UHFFFAOYSA-N -1 3 386.242 3.728 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000733422449 862915868 /nfs/dbraw/zinc/91/58/68/862915868.db2.gz QTXSYMQGHXRUQU-UHFFFAOYSA-N -1 3 380.231 3.654 20 30 GHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc2ccccc2n1 ZINC000672579991 857496004 /nfs/dbraw/zinc/49/60/04/857496004.db2.gz LZHUSMMOIVZNEU-HNNXBMFYSA-N -1 3 382.379 3.844 20 30 GHEDHM Cc1nc([N-]C(=O)c2ccc(COc3ccccc3C#N)o2)nn1-c1ccccc1 ZINC001129226486 857936743 /nfs/dbraw/zinc/93/67/43/857936743.db2.gz GTJQROHVAJCPHK-UHFFFAOYSA-N -1 3 399.410 3.872 20 30 GHEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000443220587 858482443 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GHEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)NC1=O ZINC000171567401 865296684 /nfs/dbraw/zinc/29/66/84/865296684.db2.gz SAZONKYYABVYIN-PWSUYJOCSA-N -1 3 396.353 3.641 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000920382948 882075844 /nfs/dbraw/zinc/07/58/44/882075844.db2.gz DDRPGOANFIUFGI-UHFFFAOYSA-N -1 3 391.905 3.917 20 30 GHEDHM COc1cc(C=NNc2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000920478776 882145576 /nfs/dbraw/zinc/14/55/76/882145576.db2.gz FYJTVPORAPDHLI-UHFFFAOYSA-N -1 3 380.198 3.826 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)c2c1cccc2F ZINC000523855340 868108442 /nfs/dbraw/zinc/10/84/42/868108442.db2.gz JHCUYDXGNQTZGC-UHFFFAOYSA-N -1 3 379.435 3.816 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H](c1cccs1)N1CCOCC1 ZINC000005289263 882158519 /nfs/dbraw/zinc/15/85/19/882158519.db2.gz NCPJXHBZHHLOGT-SKCQWOFPSA-N -1 3 395.322 3.709 20 30 GHEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccco1 ZINC000152715953 868356595 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GHEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C#N ZINC001201799768 875867328 /nfs/dbraw/zinc/86/73/28/875867328.db2.gz NRIPRMOZVWOYOQ-UHFFFAOYSA-N -1 3 385.489 3.860 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2c(F)cccc2F)c(C)c1[O-] ZINC001202043607 875991901 /nfs/dbraw/zinc/99/19/01/875991901.db2.gz RYGRCYXOVNKLIX-UHFFFAOYSA-N -1 3 375.331 3.671 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCCC#N)c2)cc1 ZINC000171594817 876763713 /nfs/dbraw/zinc/76/37/13/876763713.db2.gz WJWXKIPLULTKLC-UHFFFAOYSA-N -1 3 385.489 3.528 20 30 GHEDHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1C(C)C ZINC000530133008 877177040 /nfs/dbraw/zinc/17/70/40/877177040.db2.gz AVZOMWSYKDMYDN-UHFFFAOYSA-N -1 3 388.489 3.816 20 30 GHEDHM Cc1[nH]nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1-c1ccc(C)cc1 ZINC000530272426 877422656 /nfs/dbraw/zinc/42/26/56/877422656.db2.gz PHIBFUBXRBNJPH-UHFFFAOYSA-N -1 3 389.459 3.854 20 30 GHEDHM C[C@@H](CC(C)(C)C#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000851204611 877513084 /nfs/dbraw/zinc/51/30/84/877513084.db2.gz SIAXIRSIFHKMGC-JTQLQIEISA-N -1 3 392.399 3.562 20 30 GHEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)C2CC2)n1 ZINC000451243408 877643705 /nfs/dbraw/zinc/64/37/05/877643705.db2.gz LFSMPHURQONOHV-HNNXBMFYSA-N -1 3 381.910 3.601 20 30 GHEDHM N#Cc1ccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000787847174 877667977 /nfs/dbraw/zinc/66/79/77/877667977.db2.gz YWCGBCZYDIPPMJ-UHFFFAOYSA-N -1 3 390.798 3.561 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(Cl)c4c(c3)OCCCO4)nc1-2 ZINC000531423816 879804927 /nfs/dbraw/zinc/80/49/27/879804927.db2.gz LCLHLRPDVHSSMG-LBPRGKRZSA-N -1 3 382.807 3.571 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC2CC2)cc1OC ZINC000791771949 880671174 /nfs/dbraw/zinc/67/11/74/880671174.db2.gz RLCZMHPZXXPPGV-QGZVFWFLSA-N -1 3 394.427 3.596 20 30 GHEDHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3cc(C#N)ccc3F)no2)c1 ZINC001129714470 883127374 /nfs/dbraw/zinc/12/73/74/883127374.db2.gz AFVRBCMAROUEER-UHFFFAOYSA-N -1 3 379.347 3.719 20 30 GHEDHM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1Cl ZINC000609819063 883695975 /nfs/dbraw/zinc/69/59/75/883695975.db2.gz OXTBONARMRUWKT-SJLPKXTDSA-N -1 3 390.892 3.916 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000286659685 912844214 /nfs/dbraw/zinc/84/42/14/912844214.db2.gz DSWVBPJGINVULH-CZUORRHYSA-N -1 3 383.414 3.693 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000860468211 884705110 /nfs/dbraw/zinc/70/51/10/884705110.db2.gz AXOQKKOTEBBSJA-MQNAVGNWSA-N -1 3 396.487 3.798 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccncc1OC[C@H]1CCOC1 ZINC000806552743 884803603 /nfs/dbraw/zinc/80/36/03/884803603.db2.gz XTGLUBKSWDLVKF-UWPAOYMWSA-N -1 3 391.265 3.584 20 30 GHEDHM CC#CCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000498848378 885933443 /nfs/dbraw/zinc/93/34/43/885933443.db2.gz CUUDYCFOMAWLOF-UHFFFAOYSA-N -1 3 387.461 3.838 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000475853510 886223577 /nfs/dbraw/zinc/22/35/77/886223577.db2.gz RGPKFTMGQHCBNU-UHFFFAOYSA-N -1 3 395.850 3.686 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccnc(SCC)c2)C1=O ZINC000919743527 886252237 /nfs/dbraw/zinc/25/22/37/886252237.db2.gz UXDYNGQCARFIPC-LJQANCHMSA-N -1 3 392.525 3.509 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1cnn(CCF)c1 ZINC000808979624 886958058 /nfs/dbraw/zinc/95/80/58/886958058.db2.gz KQDXRDXPVCSCCH-KRWDZBQOSA-N -1 3 392.390 3.606 20 30 GHEDHM Cc1[nH][n-]c(=O)c1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000615226885 887066535 /nfs/dbraw/zinc/06/65/35/887066535.db2.gz LWCRKGYDEUQZHP-UHFFFAOYSA-N -1 3 385.239 3.965 20 30 GHEDHM C#Cc1cccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000047399687 887313785 /nfs/dbraw/zinc/31/37/85/887313785.db2.gz SWCVLEPOKXVWDI-UHFFFAOYSA-N -1 3 397.862 3.910 20 30 GHEDHM CCC(CC)c1noc([C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000809399178 887397994 /nfs/dbraw/zinc/39/79/94/887397994.db2.gz FQXCKXBNTFXGSS-HNNXBMFYSA-N -1 3 390.509 3.799 20 30 GHEDHM COc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cc1OCCCC#N ZINC000763107456 887669952 /nfs/dbraw/zinc/66/99/52/887669952.db2.gz UFQPTLZYRFHSDN-SOFGYWHQSA-N -1 3 397.427 3.997 20 30 GHEDHM COC[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000794677334 887748204 /nfs/dbraw/zinc/74/82/04/887748204.db2.gz VBYYUZLEVRALGK-GWJWUGQSSA-N -1 3 382.888 3.881 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000120066015 887776735 /nfs/dbraw/zinc/77/67/35/887776735.db2.gz VXHUTDLSSAXQMG-CYBMUJFWSA-N -1 3 380.297 3.814 20 30 GHEDHM COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccn3)c2Cl)c(OC)cc1[O-] ZINC000794699178 887891911 /nfs/dbraw/zinc/89/19/11/887891911.db2.gz APFMCOCJMLGBEG-FPLPWBNLSA-N -1 3 399.834 3.848 20 30 GHEDHM O=c1[nH]c2ccccc2cc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000916368790 888947219 /nfs/dbraw/zinc/94/72/19/888947219.db2.gz NSQMFMGSXCJPHJ-UHFFFAOYSA-N -1 3 393.497 3.995 20 30 GHEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000796097119 913300259 /nfs/dbraw/zinc/30/02/59/913300259.db2.gz PMSHPUNJIXNVPN-CQSZACIVSA-N -1 3 398.347 3.732 20 30 GHEDHM COC(=O)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000811187040 889271431 /nfs/dbraw/zinc/27/14/31/889271431.db2.gz IBNXTJGGUJBLOL-OAHLLOKOSA-N -1 3 380.183 3.642 20 30 GHEDHM Cc1ccc([C@H](C/N=C/c2cc(Br)ccc2[O-])N2CCOCC2)o1 ZINC000017701026 889990238 /nfs/dbraw/zinc/99/02/38/889990238.db2.gz XPGGYWUWKYZHMI-YODDIOPGSA-N -1 3 393.281 3.549 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn(CC2CC2)c1 ZINC000870141713 890229881 /nfs/dbraw/zinc/22/98/81/890229881.db2.gz BWZHELKSFCRDEF-HNNXBMFYSA-N -1 3 377.231 3.561 20 30 GHEDHM C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1OC ZINC000126012743 890332160 /nfs/dbraw/zinc/33/21/60/890332160.db2.gz FBPYALJQLSJDFC-UHFFFAOYSA-N -1 3 378.222 3.980 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)s1 ZINC001212223884 891263213 /nfs/dbraw/zinc/26/32/13/891263213.db2.gz WGPPTDAWCBKDAE-UHFFFAOYSA-N -1 3 380.800 3.770 20 30 GHEDHM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000130500998 891605527 /nfs/dbraw/zinc/60/55/27/891605527.db2.gz ICOVEJLBFYQTHH-LBPRGKRZSA-N -1 3 379.247 3.975 20 30 GHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000152481587 891908948 /nfs/dbraw/zinc/90/89/48/891908948.db2.gz LTSWDUJIWXIHQP-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM COC(C)(C)c1nsc([N-]C(=O)c2cc(C3CC3)nc(SC)c2C#N)n1 ZINC001170711854 891944232 /nfs/dbraw/zinc/94/42/32/891944232.db2.gz FKZGYRWUIGCMNS-UHFFFAOYSA-N -1 3 389.506 3.538 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000815714456 894150114 /nfs/dbraw/zinc/15/01/14/894150114.db2.gz XFNJXJSREFUKMJ-QGZVFWFLSA-N -1 3 397.418 3.646 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(OC(F)F)c1 ZINC000826190891 895973663 /nfs/dbraw/zinc/97/36/63/895973663.db2.gz QFQLCPNNLUWTMG-DAXSKMNVSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(OC(F)F)c1 ZINC000826190891 895973672 /nfs/dbraw/zinc/97/36/72/895973672.db2.gz QFQLCPNNLUWTMG-DAXSKMNVSA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1 ZINC000566271210 896209176 /nfs/dbraw/zinc/20/91/76/896209176.db2.gz LNVOYONTENISGR-UHFFFAOYSA-N -1 3 395.459 3.802 20 30 GHEDHM C=CCNC(=O)Nc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000042642877 897689452 /nfs/dbraw/zinc/68/94/52/897689452.db2.gz HIKSCABJPMHURA-UHFFFAOYSA-N -1 3 379.416 3.727 20 30 GHEDHM N#CCCCOC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826381724 898908592 /nfs/dbraw/zinc/90/85/92/898908592.db2.gz WLVYYJCSTKPTTD-UHFFFAOYSA-N -1 3 383.795 3.773 20 30 GHEDHM N#CCCCOC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826381724 898908602 /nfs/dbraw/zinc/90/86/02/898908602.db2.gz WLVYYJCSTKPTTD-UHFFFAOYSA-N -1 3 383.795 3.773 20 30 GHEDHM N#Cc1ccc(-c2nnc(CSc3cccc(Cl)c3-c3nnn[n-]3)o2)cc1 ZINC000826384227 898997118 /nfs/dbraw/zinc/99/71/18/898997118.db2.gz MEGGSUJQBWWTSO-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1ccc(-c2nnc(CSc3cccc(Cl)c3-c3nn[n-]n3)o2)cc1 ZINC000826384227 898997125 /nfs/dbraw/zinc/99/71/25/898997125.db2.gz MEGGSUJQBWWTSO-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Cc2ccc(OC(F)(F)F)cc21 ZINC000823504985 899069331 /nfs/dbraw/zinc/06/93/31/899069331.db2.gz WQGSBLNXFAPULK-RMKNXTFCSA-N -1 3 378.335 3.649 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823898927 899290418 /nfs/dbraw/zinc/29/04/18/899290418.db2.gz FUQUBXLAWIUPKM-UHFFFAOYSA-N -1 3 398.492 3.692 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823898927 899290429 /nfs/dbraw/zinc/29/04/29/899290429.db2.gz FUQUBXLAWIUPKM-UHFFFAOYSA-N -1 3 398.492 3.692 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823893977 899309053 /nfs/dbraw/zinc/30/90/53/899309053.db2.gz CXAQMCJGJYIULU-CYBMUJFWSA-N -1 3 397.508 3.780 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823893977 899309063 /nfs/dbraw/zinc/30/90/63/899309063.db2.gz CXAQMCJGJYIULU-CYBMUJFWSA-N -1 3 397.508 3.780 20 30 GHEDHM C=CCOc1ccccc1CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001136808668 899331648 /nfs/dbraw/zinc/33/16/48/899331648.db2.gz OJRCZGVBDVVBRE-UHFFFAOYSA-N -1 3 389.477 3.985 20 30 GHEDHM N#CC1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCCC1 ZINC000332151597 899438707 /nfs/dbraw/zinc/43/87/07/899438707.db2.gz LSGMZTDTSGFKHE-UHFFFAOYSA-N -1 3 394.656 3.510 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000570792084 899595740 /nfs/dbraw/zinc/59/57/40/899595740.db2.gz XHQGGBAEHBMYLD-UHFFFAOYSA-N -1 3 377.444 3.756 20 30 GHEDHM N#CC(=C([O-])c1ccc(CNC(=O)C2CCCC2)cc1)c1cnc2ccccc2n1 ZINC000572907702 900306390 /nfs/dbraw/zinc/30/63/90/900306390.db2.gz NAAIPUMDLGDQEB-LJQANCHMSA-N -1 3 398.466 3.926 20 30 GHEDHM C=CCc1ccc(OCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(OC)c1 ZINC000845836217 902447438 /nfs/dbraw/zinc/44/74/38/902447438.db2.gz IFOCZDPIVODKIO-IBGZPJMESA-N -1 3 389.451 3.812 20 30 GHEDHM C=CCc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(OC)c1 ZINC000845836217 902447444 /nfs/dbraw/zinc/44/74/44/902447444.db2.gz IFOCZDPIVODKIO-IBGZPJMESA-N -1 3 389.451 3.812 20 30 GHEDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@]1(F)Cl ZINC000845984748 902565764 /nfs/dbraw/zinc/56/57/64/902565764.db2.gz YRTXSKYNFLOUIJ-STQMWFEESA-N -1 3 384.782 3.560 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000174453830 905274879 /nfs/dbraw/zinc/27/48/79/905274879.db2.gz DPTCXWHKDIEQPX-ZSEKCTLFSA-N -1 3 381.451 3.545 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCCOC)c2)cc1 ZINC000777303704 905725390 /nfs/dbraw/zinc/72/53/90/905725390.db2.gz FTXFYCOGWLNSDB-HNAYVOBHSA-N -1 3 395.459 3.581 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000177446931 906135004 /nfs/dbraw/zinc/13/50/04/906135004.db2.gz FQUMMJKXXHLQCG-UHFFFAOYSA-N -1 3 391.393 3.930 20 30 GHEDHM COc1cc(C=NOC2CCCCC2)cc(I)c1[O-] ZINC000777457398 908437154 /nfs/dbraw/zinc/43/71/54/908437154.db2.gz SOHMESBYCGJOQC-UHFFFAOYSA-N -1 3 375.206 3.689 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccc(F)cc2Cl)no1 ZINC000273903466 911097787 /nfs/dbraw/zinc/09/77/87/911097787.db2.gz XEMSSLZYPPVRIS-UHFFFAOYSA-N -1 3 386.814 3.827 20 30 GHEDHM C[C@H](c1ccccc1)N(C(=O)c1ccccc1-c1nnn[n-]1)C1=CC(=O)CCC1 ZINC001187008571 914938924 /nfs/dbraw/zinc/93/89/24/914938924.db2.gz FNLPAHYGFSQKJD-OAHLLOKOSA-N -1 3 387.443 3.707 20 30 GHEDHM C[C@H](c1ccccc1)N(C(=O)c1ccccc1-c1nn[n-]n1)C1=CC(=O)CCC1 ZINC001187008571 914938928 /nfs/dbraw/zinc/93/89/28/914938928.db2.gz FNLPAHYGFSQKJD-OAHLLOKOSA-N -1 3 387.443 3.707 20 30 GHEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC001187070673 915002124 /nfs/dbraw/zinc/00/21/24/915002124.db2.gz DGMTXPDMBAGRMD-UHFFFAOYSA-N -1 3 399.255 3.594 20 30 GHEDHM C=CCOc1cccnc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000775113463 915203443 /nfs/dbraw/zinc/20/34/43/915203443.db2.gz JNQCXJBFPSQSMP-LLVKDONJSA-N -1 3 385.445 3.892 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(OCCc2ccccc2)cc1 ZINC001187539276 915339230 /nfs/dbraw/zinc/33/92/30/915339230.db2.gz WSSCOKNTIWZHDZ-UHFFFAOYSA-N -1 3 375.428 3.747 20 30 GHEDHM COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001187610023 915381223 /nfs/dbraw/zinc/38/12/23/915381223.db2.gz ZLYLBNPDHVDEAT-UHFFFAOYSA-N -1 3 383.404 3.872 20 30 GHEDHM N#Cc1ccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)o1 ZINC001188574592 916061196 /nfs/dbraw/zinc/06/11/96/916061196.db2.gz ISFIKOPVMCRRPM-UHFFFAOYSA-N -1 3 383.820 3.931 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(F)c1 ZINC001190501141 917369335 /nfs/dbraw/zinc/36/93/35/917369335.db2.gz XCGUKIPFFIKFDA-UHFFFAOYSA-N -1 3 375.421 3.847 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000295716510 917442727 /nfs/dbraw/zinc/44/27/27/917442727.db2.gz LFESUNXCOLHCSL-AZUAARDMSA-N -1 3 377.488 3.908 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000295716512 917443131 /nfs/dbraw/zinc/44/31/31/917443131.db2.gz LFESUNXCOLHCSL-ICSRJNTNSA-N -1 3 377.488 3.908 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1ccc(Cl)cc1 ZINC001191036398 917719915 /nfs/dbraw/zinc/71/99/15/917719915.db2.gz MYNJWGJPEQNEIB-GFCCVEGCSA-N -1 3 375.664 3.695 20 30 GHEDHM CCCOc1ccccc1C(=O)Nc1c(C)c([O-])c(C(=O)OCC)cc1C#N ZINC001190994246 917723014 /nfs/dbraw/zinc/72/30/14/917723014.db2.gz OHIOOMNGBCALRY-UHFFFAOYSA-N -1 3 382.416 3.790 20 30 GHEDHM N#Cc1ccc(-c2csc([N-]C(=O)c3cc(Br)no3)n2)s1 ZINC001191329252 917937389 /nfs/dbraw/zinc/93/73/89/917937389.db2.gz CRBAMBCAYDJKCC-UHFFFAOYSA-N -1 3 381.236 3.746 20 30 GHEDHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C#N)c1Br ZINC001191828948 918252324 /nfs/dbraw/zinc/25/23/24/918252324.db2.gz MXWAEGYRKWRQEP-UHFFFAOYSA-N -1 3 395.278 3.829 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2c(F)cc(C#N)cc2F)nc1C1CC1 ZINC001191907241 918265190 /nfs/dbraw/zinc/26/51/90/918265190.db2.gz JODKVYOEFNXLRK-UHFFFAOYSA-N -1 3 377.372 3.599 20 30 GHEDHM C=C(C)c1cccc(NC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000900355153 920241447 /nfs/dbraw/zinc/24/14/47/920241447.db2.gz GSULZPBFDRQXKH-HSZRJFAPSA-N -1 3 393.487 3.961 20 30 GHEDHM O=C(Nc1ccccc1)N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000800790066 920466121 /nfs/dbraw/zinc/46/61/21/920466121.db2.gz AYLRYDCZJKYOJC-YODDIOPGSA-N -1 3 388.265 3.880 20 30 GHEDHM CN(CCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccncc1 ZINC000900677697 920508361 /nfs/dbraw/zinc/50/83/61/920508361.db2.gz BQNIKFCMSLZDGY-UHFFFAOYSA-N -1 3 396.274 3.659 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000298527871 920632985 /nfs/dbraw/zinc/63/29/85/920632985.db2.gz YCXUWBRQDQEJNK-LBPRGKRZSA-N -1 3 389.402 3.687 20 30 GHEDHM CO[C@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(Cl)cc1 ZINC000801216108 920845444 /nfs/dbraw/zinc/84/54/44/920845444.db2.gz PUDBSSXJGDONGP-GOSISDBHSA-N -1 3 388.851 3.793 20 30 GHEDHM O=C(c1cnn(-c2ccc(Br)cc2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901376537 921054346 /nfs/dbraw/zinc/05/43/46/921054346.db2.gz VLMIRWLFUNJENP-UHFFFAOYSA-N -1 3 390.212 3.806 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC(F)(F)CC2)c1 ZINC000903680114 923192720 /nfs/dbraw/zinc/19/27/20/923192720.db2.gz UHPUCVGNQJSSMD-UHFFFAOYSA-N -1 3 382.354 3.541 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000373640978 926307547 /nfs/dbraw/zinc/30/75/47/926307547.db2.gz RVJVXZJTWHBBOG-QFIPXVFZSA-N -1 3 381.451 3.538 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc2sc(N3CCCC3)nc2s1 ZINC000796633871 926371334 /nfs/dbraw/zinc/37/13/34/926371334.db2.gz PWPLKWQMKFLVPK-ZDUSSCGKSA-N -1 3 396.497 3.919 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1csc2ccccc21 ZINC000751075407 928016508 /nfs/dbraw/zinc/01/65/08/928016508.db2.gz OSAXQXMREHIBSK-NSHDSACASA-N -1 3 387.442 3.721 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc2ccccc2s1 ZINC000751105245 928031547 /nfs/dbraw/zinc/03/15/47/928031547.db2.gz SLMJHFMMEZKTMK-JTQLQIEISA-N -1 3 377.878 3.861 20 30 GHEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000758452509 930048889 /nfs/dbraw/zinc/04/88/89/930048889.db2.gz FLZCPYTWPYDGIP-UHFFFAOYSA-N -1 3 384.217 3.550 20 30 GHEDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ccccc3C#N)CC2)c1 ZINC000781898360 931017379 /nfs/dbraw/zinc/01/73/79/931017379.db2.gz XWSIVLTUQTWDLF-UHFFFAOYSA-N -1 3 386.293 3.657 20 30 GHEDHM C[C@H](OC(=O)c1ccc(I)c([O-])c1)c1ccc(C#N)cc1 ZINC000784714016 931986533 /nfs/dbraw/zinc/98/65/33/931986533.db2.gz RFQOKGJGQXUHLH-JTQLQIEISA-N -1 3 393.180 3.786 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000796788612 932068421 /nfs/dbraw/zinc/06/84/21/932068421.db2.gz KEZIPIUUZAJMLY-QGZVFWFLSA-N -1 3 398.344 3.852 20 30 GHEDHM C=CC[C@@H](CCc1ccccc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000797565558 932329214 /nfs/dbraw/zinc/32/92/14/932329214.db2.gz WOZDNUIUPAQCDW-KRWDZBQOSA-N -1 3 391.464 3.932 20 30 GHEDHM O=C(CNC(=O)c1cc2ccccc2[nH]1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001119554436 934367813 /nfs/dbraw/zinc/36/78/13/934367813.db2.gz APRQUOUVLCSJQF-UHFFFAOYSA-N -1 3 392.242 3.623 20 30 GHEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC[C@@H]1C(C)C ZINC001573297725 947066417 /nfs/dbraw/zinc/06/64/17/947066417.db2.gz KPIADDWHPFKUHF-MRXNPFEDSA-N -1 3 398.902 3.503 20 30 GHEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC[C@@H]1C(C)C ZINC001573297725 947066427 /nfs/dbraw/zinc/06/64/27/947066427.db2.gz KPIADDWHPFKUHF-MRXNPFEDSA-N -1 3 398.902 3.503 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001573341296 947530615 /nfs/dbraw/zinc/53/06/15/947530615.db2.gz LAPKQWHCGSXIFB-QWFCFKBJSA-N -1 3 379.508 3.988 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001573341296 947530619 /nfs/dbraw/zinc/53/06/19/947530619.db2.gz LAPKQWHCGSXIFB-QWFCFKBJSA-N -1 3 379.508 3.988 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCCCC1 ZINC000040452034 1014590599 /nfs/dbraw/zinc/59/05/99/1014590599.db2.gz QBFUNVCHWNLNDL-UHFFFAOYSA-N -1 3 391.718 3.997 20 30 GHEDHM CCC[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCN1Cc1ccccc1 ZINC001595625114 981743635 /nfs/dbraw/zinc/74/36/35/981743635.db2.gz PNAAWFGFYXVAGJ-HXUWFJFHSA-N -1 3 377.488 3.743 20 30 GHEDHM CCC[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCN1Cc1ccccc1 ZINC001595625113 981743721 /nfs/dbraw/zinc/74/37/21/981743721.db2.gz PNAAWFGFYXVAGJ-FQEVSTJZSA-N -1 3 377.488 3.743 20 30 GHEDHM C[C@H](C(=O)[O-])[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001589470131 986953144 /nfs/dbraw/zinc/95/31/44/986953144.db2.gz WRNNQLKOJGJHQA-KSSFIOAISA-N -1 3 377.362 3.988 20 30 GHEDHM C=CCc1cc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000468780566 1016025760 /nfs/dbraw/zinc/02/57/60/1016025760.db2.gz BRHFBHAMSAIMKW-UHFFFAOYSA-N -1 3 387.451 3.916 20 30 GHEDHM N#C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(Br)c1 ZINC000469059437 1016389472 /nfs/dbraw/zinc/38/94/72/1016389472.db2.gz VGMNNKUUSUSBRK-INIZCTEOSA-N -1 3 391.240 3.998 20 30 GHEDHM CC1(C)OC(=O)c2c1ccnc2NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155909720 1032785722 /nfs/dbraw/zinc/78/57/22/1032785722.db2.gz XVFRBFRBXJNSMB-UHFFFAOYSA-N -1 3 381.310 3.634 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1csc2ccccc12 ZINC000795403804 1021052897 /nfs/dbraw/zinc/05/28/97/1021052897.db2.gz KDBDCOYRIHJETR-UHFFFAOYSA-N -1 3 394.452 3.849 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2c1CCCC2 ZINC000835066187 1021847624 /nfs/dbraw/zinc/84/76/24/1021847624.db2.gz UOKWXFYIRRBELB-GFCCVEGCSA-N -1 3 391.258 3.567 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1nc(Br)n2ccccc12 ZINC001156790222 1033244117 /nfs/dbraw/zinc/24/41/17/1033244117.db2.gz WQTCTYYVUUKTLG-UHFFFAOYSA-N -1 3 381.189 3.967 20 30 GHEDHM N#Cc1cccc(-c2cc(C(F)(F)F)cnc2NCCCc2c[n-][nH]c2=O)c1 ZINC001164375573 1026498348 /nfs/dbraw/zinc/49/83/48/1026498348.db2.gz UVBQAHJLXYMWBA-CQSZACIVSA-N -1 3 387.365 3.563 20 30 GHEDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cc1F ZINC001210462442 1027520507 /nfs/dbraw/zinc/52/05/07/1027520507.db2.gz NBRNULPHOZPLEH-LLVKDONJSA-N -1 3 390.461 3.960 20 30 GHEDHM C#CCCCC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC001210909396 1027702672 /nfs/dbraw/zinc/70/26/72/1027702672.db2.gz DFCDXTVQGJXKQC-UHFFFAOYSA-N -1 3 399.335 3.654 20 30 GHEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(Br)cc(F)c2OC)CC1 ZINC001213652549 1028312487 /nfs/dbraw/zinc/31/24/87/1028312487.db2.gz WZTDBKUDRVCLQI-UHFFFAOYSA-N -1 3 392.290 3.622 20 30 GHEDHM C[C@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C1 ZINC000842690037 1029497378 /nfs/dbraw/zinc/49/73/78/1029497378.db2.gz MSNABPTYEGOGSQ-IINYFYTJSA-N -1 3 391.258 3.733 20 30 GHEDHM CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)[N-]c3c(C#N)oc4ccccc43)c2C1 ZINC001149918915 1030346023 /nfs/dbraw/zinc/34/60/23/1030346023.db2.gz HMHUTNGBLLKACE-UHFFFAOYSA-N -1 3 393.403 3.531 20 30 GHEDHM COc1cc([O-])cc(O[C@@H]2CNCC(F)(F)C2)c1C(=O)/C=C/c1ccccc1 ZINC001218276626 1030866662 /nfs/dbraw/zinc/86/66/62/1030866662.db2.gz VOKJMXVVWREPSO-WAVCKPEOSA-N -1 3 389.398 3.673 20 30 GHEDHM N#CC1(NC(=O)c2c([O-])ccc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC001153510207 1031625164 /nfs/dbraw/zinc/62/51/64/1031625164.db2.gz MBCWBXMGTICSLD-UHFFFAOYSA-N -1 3 385.467 3.834 20 30 GHEDHM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226482198 1031975620 /nfs/dbraw/zinc/97/56/20/1031975620.db2.gz KSGYWEZWVNVLSB-CYBMUJFWSA-N -1 3 380.318 3.779 20 30 GHEDHM O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1O[C@H]1CCc2nccn2C1 ZINC001229267354 1033380541 /nfs/dbraw/zinc/38/05/41/1033380541.db2.gz BJGBPJOITIVSES-NUTIFNJFSA-N -1 3 376.412 3.584 20 30 GHEDHM O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001161802410 1035305345 /nfs/dbraw/zinc/30/53/45/1035305345.db2.gz VNARDLRODGWSLT-SFHVURJKSA-N -1 3 386.879 3.539 20 30 GHEDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N([O-])CCCCc1ccccc1 ZINC001161818397 1035307801 /nfs/dbraw/zinc/30/78/01/1035307801.db2.gz ADPADEZWEUAJRV-IPMKNSEASA-N -1 3 388.508 3.730 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC001161827027 1035310037 /nfs/dbraw/zinc/31/00/37/1035310037.db2.gz UCCWQUIFRJSNNS-INIZCTEOSA-N -1 3 382.888 3.751 20 30 GHEDHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1NC(=O)c1cccc(C#N)c1 ZINC001241444849 1035583974 /nfs/dbraw/zinc/58/39/74/1035583974.db2.gz XJZVYXPAFBPQCN-UHFFFAOYSA-N -1 3 380.411 3.966 20 30 GHEDHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)c1cccc(C#N)c1 ZINC001241444849 1035583990 /nfs/dbraw/zinc/58/39/90/1035583990.db2.gz XJZVYXPAFBPQCN-UHFFFAOYSA-N -1 3 380.411 3.966 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2c(F)cccc2F)c(C)c1[O-] ZINC001247080616 1037900813 /nfs/dbraw/zinc/90/08/13/1037900813.db2.gz LOFBWNKWYIMEBW-UHFFFAOYSA-N -1 3 391.399 3.836 20 30 GHEDHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(O[C@H](C)CS)c-2o1 ZINC001234731878 1040259395 /nfs/dbraw/zinc/25/93/95/1040259395.db2.gz MXGLPTKCWVRBFV-LLVKDONJSA-N -1 3 388.441 3.880 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC001255795082 1041304829 /nfs/dbraw/zinc/30/48/29/1041304829.db2.gz KIFPXUZHVROCKP-UHFFFAOYSA-N -1 3 378.278 3.536 20 30 GHEDHM C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cc(Cl)nc(Cl)c1[O-])C2 ZINC001237521859 1042248606 /nfs/dbraw/zinc/24/86/06/1042248606.db2.gz VIMMNCNYPUNSDJ-KSSFIOAISA-N -1 3 387.307 3.668 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Br)c(Cl)c1 ZINC001259112341 1044967238 /nfs/dbraw/zinc/96/72/38/1044967238.db2.gz AVDKFYHFVZHHCP-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2n[n-]c(-c3ccco3)n2)s1 ZINC001462927823 1070667228 /nfs/dbraw/zinc/66/72/28/1070667228.db2.gz ZFCCXNNEVJXTMM-UHFFFAOYSA-N -1 3 395.897 3.855 20 30 GHEDHM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1Cl ZINC001260651542 1045593019 /nfs/dbraw/zinc/59/30/19/1045593019.db2.gz BUSFMLBPSQCBER-UHFFFAOYSA-N -1 3 375.208 3.814 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)ccc1Br ZINC001261047711 1045866171 /nfs/dbraw/zinc/86/61/71/1045866171.db2.gz IUXLASUCPXMHMG-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CCCCCCCC[C@@H](CO)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001305169123 1047925755 /nfs/dbraw/zinc/92/57/55/1047925755.db2.gz SWVKJNXOHDIMIA-AWEZNQCLSA-N -1 3 380.435 3.648 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N([O-])Cc1ccc(F)cc1 ZINC001306900216 1048951673 /nfs/dbraw/zinc/95/16/73/1048951673.db2.gz KLSLHNAKKKNCSM-LBPRGKRZSA-N -1 3 397.233 3.903 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001343761256 1054004451 /nfs/dbraw/zinc/00/44/51/1054004451.db2.gz QJZUOOLMBAQUHM-CYBMUJFWSA-N -1 3 391.431 3.805 20 30 GHEDHM COCCCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccc1C ZINC001317772032 1054252652 /nfs/dbraw/zinc/25/26/52/1054252652.db2.gz ZFLBAFBKJOZKQQ-UHFFFAOYSA-N -1 3 397.500 3.756 20 30 GHEDHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1F ZINC001320950702 1056030848 /nfs/dbraw/zinc/03/08/48/1056030848.db2.gz ZXESPVPYEAPJBO-UHFFFAOYSA-N -1 3 383.242 3.764 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC001339067456 1058946254 /nfs/dbraw/zinc/94/62/54/1058946254.db2.gz BKXDJIPKUKLQCJ-YJBOKZPZSA-N -1 3 390.491 3.565 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001341956041 1060968136 /nfs/dbraw/zinc/96/81/36/1060968136.db2.gz UGAPTCNRYBJSBN-BXUZGUMPSA-N -1 3 392.381 3.914 20 30 GHEDHM C=C[C@H](C)O[N-]C(=O)CCc1cc(Br)c(Br)s1 ZINC001452741094 1060999115 /nfs/dbraw/zinc/99/91/15/1060999115.db2.gz WQXKWVXFRMCTQM-ZETCQYMHSA-N -1 3 383.105 3.828 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(C(C)=O)CC3)n2CC2CC2)c1[O-] ZINC001346575109 1061695203 /nfs/dbraw/zinc/69/52/03/1061695203.db2.gz YOEMNCZOIOSFGI-UHFFFAOYSA-N -1 3 394.519 3.985 20 30 GHEDHM Cc1cc(C)n(-c2ccc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)cc2)n1 ZINC001347064320 1062083500 /nfs/dbraw/zinc/08/35/00/1062083500.db2.gz WURRXMTUJCDCNS-GOSISDBHSA-N -1 3 382.427 3.505 20 30 GHEDHM C#CCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H]1CCCc2ccccc21 ZINC001456266455 1062584636 /nfs/dbraw/zinc/58/46/36/1062584636.db2.gz IYVIVCJAGJMTGX-HXUWFJFHSA-N -1 3 392.405 3.959 20 30 GHEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(C(F)(F)F)cc1C#N ZINC001348076304 1062908840 /nfs/dbraw/zinc/90/88/40/1062908840.db2.gz CIPRSFWYNPVGTQ-UHFFFAOYSA-N -1 3 387.358 3.700 20 30 GHEDHM O=C(c1c(Cl)oc2ccccc21)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458001732 1063499285 /nfs/dbraw/zinc/49/92/85/1063499285.db2.gz HMAARXQFLYRTQY-UHFFFAOYSA-N -1 3 398.802 3.604 20 30 GHEDHM O=C(Cn1c2ccccc2c(=O)c2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC001458014902 1063507843 /nfs/dbraw/zinc/50/78/43/1063507843.db2.gz BFSJFCCWZDSXLA-UHFFFAOYSA-N -1 3 376.387 3.712 20 30 GHEDHM CCCCN([O-])C(=O)c1nnn(Cc2cccc(Br)c2)c1CCC ZINC001458021275 1063510797 /nfs/dbraw/zinc/51/07/97/1063510797.db2.gz FNFYKAGQHITLSD-UHFFFAOYSA-N -1 3 395.301 3.673 20 30 GHEDHM N#Cc1ccc(Cc2cnc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])s2)cc1 ZINC001349633312 1063838674 /nfs/dbraw/zinc/83/86/74/1063838674.db2.gz UBQRPBPIBLTCJE-UHFFFAOYSA-N -1 3 382.376 3.905 20 30 GHEDHM C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc(C(F)(F)F)n[n-]1 ZINC001200276959 1065791621 /nfs/dbraw/zinc/79/16/21/1065791621.db2.gz PJORNHJYSQIHCQ-VHSXEESVSA-N -1 3 398.414 3.958 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)s1 ZINC001466979251 1066425595 /nfs/dbraw/zinc/42/55/95/1066425595.db2.gz QUGFBOSJLKZIRG-FQEVSTJZSA-N -1 3 398.488 3.671 20 30 GHEDHM C=CCCO[N-]C(=O)CCc1cc(Br)c(Br)s1 ZINC001470616022 1072649600 /nfs/dbraw/zinc/64/96/00/1072649600.db2.gz JVNDABUQUDQECK-UHFFFAOYSA-N -1 3 383.105 3.830 20 30 GHEDHM O=C(Nc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ccn1)C1CC1 ZINC001472618235 1073578525 /nfs/dbraw/zinc/57/85/25/1073578525.db2.gz XPCNMGDXMFWAGV-UHFFFAOYSA-N -1 3 380.231 3.769 20 30 GHEDHM CCOC(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nc1C ZINC001472616396 1073578627 /nfs/dbraw/zinc/57/86/27/1073578627.db2.gz RTNXTLSLINTPDJ-UHFFFAOYSA-N -1 3 383.231 3.905 20 30 GHEDHM CCCCN([O-])C(=O)[C@@H]1CCC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 ZINC001472620515 1073580661 /nfs/dbraw/zinc/58/06/61/1073580661.db2.gz FWLLZTAYJGCAAV-QUCCMNQESA-N -1 3 376.497 3.793 20 30 GHEDHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001474847009 1074591684 /nfs/dbraw/zinc/59/16/84/1074591684.db2.gz OFYNXQVPRJLHSS-NSHDSACASA-N -1 3 390.461 3.960 20 30 GHEDHM N#Cc1cc(Cl)ccc1CN[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001601086708 1126221740 /nfs/dbraw/zinc/22/17/40/1126221740.db2.gz FRQFICDPDVUWTQ-MRXNPFEDSA-N -1 3 398.768 3.896 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000007286591 206222832 /nfs/dbraw/zinc/22/28/32/206222832.db2.gz UUONIPPHKULIRS-UHFFFAOYSA-N -1 3 386.864 3.698 20 30 GHEDHM N#Cc1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)ccc1-c1nnn[n-]1 ZINC000737710921 598915769 /nfs/dbraw/zinc/91/57/69/598915769.db2.gz WXYUVRWMIXFHMD-UHFFFAOYSA-N -1 3 398.810 3.998 20 30 GHEDHM N#Cc1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)ccc1-c1nn[n-]n1 ZINC000737710921 598915770 /nfs/dbraw/zinc/91/57/70/598915770.db2.gz WXYUVRWMIXFHMD-UHFFFAOYSA-N -1 3 398.810 3.998 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)ccc1-c1nnn[n-]1 ZINC000737703757 598921496 /nfs/dbraw/zinc/92/14/96/598921496.db2.gz FNJBTJKHQXLAPQ-UHFFFAOYSA-N -1 3 392.850 3.842 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)ccc1-c1nn[n-]n1 ZINC000737703757 598921497 /nfs/dbraw/zinc/92/14/97/598921497.db2.gz FNJBTJKHQXLAPQ-UHFFFAOYSA-N -1 3 392.850 3.842 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000735446647 598924753 /nfs/dbraw/zinc/92/47/53/598924753.db2.gz CSDLJBSTILSTGN-FLIBITNWSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000735446647 598924755 /nfs/dbraw/zinc/92/47/55/598924755.db2.gz CSDLJBSTILSTGN-FLIBITNWSA-N -1 3 398.348 3.799 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1-c1nnn[n-]1 ZINC000737718232 598925789 /nfs/dbraw/zinc/92/57/89/598925789.db2.gz MQCHXWVTKIMOFO-UHFFFAOYSA-N -1 3 390.422 3.718 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1-c1nn[n-]n1 ZINC000737718232 598925790 /nfs/dbraw/zinc/92/57/90/598925790.db2.gz MQCHXWVTKIMOFO-UHFFFAOYSA-N -1 3 390.422 3.718 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716937 598927380 /nfs/dbraw/zinc/92/73/80/598927380.db2.gz XGAUZONWAVSNMI-JSGCOSHPSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716937 598927381 /nfs/dbraw/zinc/92/73/81/598927381.db2.gz XGAUZONWAVSNMI-JSGCOSHPSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(OC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000737721223 598979076 /nfs/dbraw/zinc/97/90/76/598979076.db2.gz IDLZDPSUVWGULH-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM N#Cc1ccc(OC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000737721223 598979078 /nfs/dbraw/zinc/97/90/78/598979078.db2.gz IDLZDPSUVWGULH-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822486527 599114031 /nfs/dbraw/zinc/11/40/31/599114031.db2.gz NDNPGQUMNSGQDX-GHRIWEEISA-N -1 3 396.454 3.882 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822486527 599114033 /nfs/dbraw/zinc/11/40/33/599114033.db2.gz NDNPGQUMNSGQDX-GHRIWEEISA-N -1 3 396.454 3.882 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(-c3ccncc3)c2)cc1-c1nnn[n-]1 ZINC000737081225 599156848 /nfs/dbraw/zinc/15/68/48/599156848.db2.gz LTBNVOYVEWWXET-ALCCZGGFSA-N -1 3 383.411 3.833 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(-c3ccncc3)c2)cc1-c1nn[n-]n1 ZINC000737081225 599156851 /nfs/dbraw/zinc/15/68/51/599156851.db2.gz LTBNVOYVEWWXET-ALCCZGGFSA-N -1 3 383.411 3.833 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737321628 599157826 /nfs/dbraw/zinc/15/78/26/599157826.db2.gz GUTQLUDWWGWYQP-DHZHZOJOSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737345513 599158137 /nfs/dbraw/zinc/15/81/37/599158137.db2.gz SKTFULHQUIIMOP-UXBLZVDNSA-N -1 3 388.406 3.704 20 30 GHEDHM C=CCCOCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735416579 599208787 /nfs/dbraw/zinc/20/87/87/599208787.db2.gz NMYGZDMFPIWZTB-UHFFFAOYSA-N -1 3 397.866 3.646 20 30 GHEDHM C=CCCOCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735416579 599208789 /nfs/dbraw/zinc/20/87/89/599208789.db2.gz NMYGZDMFPIWZTB-UHFFFAOYSA-N -1 3 397.866 3.646 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2cc(F)ccc2o1 ZINC000735420752 599247854 /nfs/dbraw/zinc/24/78/54/599247854.db2.gz SBQAMXFCGKFKIO-UHFFFAOYSA-N -1 3 377.379 3.580 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2cc(F)ccc2o1 ZINC000735420752 599247856 /nfs/dbraw/zinc/24/78/56/599247856.db2.gz SBQAMXFCGKFKIO-UHFFFAOYSA-N -1 3 377.379 3.580 20 30 GHEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NCCC)cc1 ZINC000735437539 599276162 /nfs/dbraw/zinc/27/61/62/599276162.db2.gz LIWIHYLCWHMTGJ-UHFFFAOYSA-N -1 3 378.436 3.506 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1cccnc1 ZINC000735443437 599286800 /nfs/dbraw/zinc/28/68/00/599286800.db2.gz VLVDJJOZIOXCML-ZDUSSCGKSA-N -1 3 390.476 3.560 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1cccnc1 ZINC000735443437 599286802 /nfs/dbraw/zinc/28/68/02/599286802.db2.gz VLVDJJOZIOXCML-ZDUSSCGKSA-N -1 3 390.476 3.560 20 30 GHEDHM N#Cc1nccnc1Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737732132 598347007 /nfs/dbraw/zinc/34/70/07/598347007.db2.gz WOFXBVBQANEQTR-UHFFFAOYSA-N -1 3 390.794 3.718 20 30 GHEDHM Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000737646858 598682451 /nfs/dbraw/zinc/68/24/51/598682451.db2.gz ALRRRKJQKUJAFE-AOOOYVTPSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000737646858 598682452 /nfs/dbraw/zinc/68/24/52/598682452.db2.gz ALRRRKJQKUJAFE-AOOOYVTPSA-N -1 3 397.298 3.569 20 30 GHEDHM N#CCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822805663 599298187 /nfs/dbraw/zinc/29/81/87/599298187.db2.gz ANTJJSXQHHTPOQ-UHFFFAOYSA-N -1 3 395.398 3.613 20 30 GHEDHM N#CCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822805663 599298189 /nfs/dbraw/zinc/29/81/89/599298189.db2.gz ANTJJSXQHHTPOQ-UHFFFAOYSA-N -1 3 395.398 3.613 20 30 GHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819729514 599298319 /nfs/dbraw/zinc/29/83/19/599298319.db2.gz IFHQLRDEWCYKJF-LBPRGKRZSA-N -1 3 382.399 3.884 20 30 GHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819729514 599298321 /nfs/dbraw/zinc/29/83/21/599298321.db2.gz IFHQLRDEWCYKJF-LBPRGKRZSA-N -1 3 382.399 3.884 20 30 GHEDHM Cc1c(C(=O)C=Cc2cscc2Cl)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822015970 607367900 /nfs/dbraw/zinc/36/79/00/607367900.db2.gz RIWXKMDYILJSRG-QPJJXVBHSA-N -1 3 396.863 3.972 20 30 GHEDHM C=C(Cl)CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735402002 599389884 /nfs/dbraw/zinc/38/98/84/599389884.db2.gz DCRHYSAUCJYYNA-UHFFFAOYSA-N -1 3 390.230 3.795 20 30 GHEDHM C=C(Cl)CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735402002 599389888 /nfs/dbraw/zinc/38/98/88/599389888.db2.gz DCRHYSAUCJYYNA-UHFFFAOYSA-N -1 3 390.230 3.795 20 30 GHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738291667 599464628 /nfs/dbraw/zinc/46/46/28/599464628.db2.gz VXIXTSHSNAYKLL-BJMVGYQFSA-N -1 3 397.225 3.644 20 30 GHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738291667 599464630 /nfs/dbraw/zinc/46/46/30/599464630.db2.gz VXIXTSHSNAYKLL-BJMVGYQFSA-N -1 3 397.225 3.644 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000819742951 599629890 /nfs/dbraw/zinc/62/98/90/599629890.db2.gz CGUXKWAHDJAKOD-UXPWSPDFSA-N -1 3 397.523 3.755 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000819742951 599629891 /nfs/dbraw/zinc/62/98/91/599629891.db2.gz CGUXKWAHDJAKOD-UXPWSPDFSA-N -1 3 397.523 3.755 20 30 GHEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC1CCCC1 ZINC000832342049 601304330 /nfs/dbraw/zinc/30/43/30/601304330.db2.gz QXPFKYBZGOMXLD-NRFANRHFSA-N -1 3 380.444 3.804 20 30 GHEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820051937 606318239 /nfs/dbraw/zinc/31/82/39/606318239.db2.gz YMRKWWTVKYRFJT-HNNXBMFYSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820051937 606318241 /nfs/dbraw/zinc/31/82/41/606318241.db2.gz YMRKWWTVKYRFJT-HNNXBMFYSA-N -1 3 392.488 3.686 20 30 GHEDHM N#Cc1ccc([C@@H](O)COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000822825484 606851281 /nfs/dbraw/zinc/85/12/81/606851281.db2.gz HJZQTEIXFPJNKI-NRFANRHFSA-N -1 3 383.411 3.518 20 30 GHEDHM N#Cc1ccc([C@@H](O)COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000822825484 606851282 /nfs/dbraw/zinc/85/12/82/606851282.db2.gz HJZQTEIXFPJNKI-NRFANRHFSA-N -1 3 383.411 3.518 20 30 GHEDHM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)Cc2cc(Cl)cc(Cl)c21 ZINC000823503800 606977787 /nfs/dbraw/zinc/97/77/87/606977787.db2.gz IWGYZPRKPMAAKU-WZUFQYTHSA-N -1 3 397.225 3.644 20 30 GHEDHM O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)Cc2cc(Cl)cc(Cl)c21 ZINC000823503800 606977789 /nfs/dbraw/zinc/97/77/89/606977789.db2.gz IWGYZPRKPMAAKU-WZUFQYTHSA-N -1 3 397.225 3.644 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475540 607842943 /nfs/dbraw/zinc/84/29/43/607842943.db2.gz JFHZHVRGKKHYHM-XFFZJAGNSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475540 607842944 /nfs/dbraw/zinc/84/29/44/607842944.db2.gz JFHZHVRGKKHYHM-XFFZJAGNSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475750 607843403 /nfs/dbraw/zinc/84/34/03/607843403.db2.gz PCUNEVZVSRVOGD-POHAHGRESA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475750 607843404 /nfs/dbraw/zinc/84/34/04/607843404.db2.gz PCUNEVZVSRVOGD-POHAHGRESA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)Cc2c1c(Br)ccc2F ZINC000826477197 607983094 /nfs/dbraw/zinc/98/30/94/607983094.db2.gz XSBUJXRPSJAZSH-JXMROGBWSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)Cc2c1c(Br)ccc2F ZINC000826477197 607983095 /nfs/dbraw/zinc/98/30/95/607983095.db2.gz XSBUJXRPSJAZSH-JXMROGBWSA-N -1 3 385.196 3.591 20 30 GHEDHM C=CCN(C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000823903646 608259568 /nfs/dbraw/zinc/25/95/68/608259568.db2.gz GGCWVVBCSAMMRQ-UHFFFAOYSA-N -1 3 376.420 3.841 20 30 GHEDHM C=CCN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000823903646 608259569 /nfs/dbraw/zinc/25/95/69/608259569.db2.gz GGCWVVBCSAMMRQ-UHFFFAOYSA-N -1 3 376.420 3.841 20 30 GHEDHM N#Cc1cccc(Cl)c1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826386769 608557239 /nfs/dbraw/zinc/55/72/39/608557239.db2.gz SAWKXXNFPRPLRE-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1cccc(Cl)c1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826386769 608557240 /nfs/dbraw/zinc/55/72/40/608557240.db2.gz SAWKXXNFPRPLRE-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826211172 609134098 /nfs/dbraw/zinc/13/40/98/609134098.db2.gz RXDPDYSATMSOHE-UTCJRWHESA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826211172 609134099 /nfs/dbraw/zinc/13/40/99/609134099.db2.gz RXDPDYSATMSOHE-UTCJRWHESA-N -1 3 390.321 3.512 20 30 GHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403117 609134697 /nfs/dbraw/zinc/13/46/97/609134697.db2.gz KCEVEGXLJZXMDU-VURMDHGXSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403117 609134698 /nfs/dbraw/zinc/13/46/98/609134698.db2.gz KCEVEGXLJZXMDU-VURMDHGXSA-N -1 3 392.312 3.843 20 30 GHEDHM CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958584 609159578 /nfs/dbraw/zinc/15/95/78/609159578.db2.gz RNOQNDFCSKSDCA-UHFFFAOYSA-N -1 3 380.305 3.741 20 30 GHEDHM CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958584 609159580 /nfs/dbraw/zinc/15/95/80/609159580.db2.gz RNOQNDFCSKSDCA-UHFFFAOYSA-N -1 3 380.305 3.741 20 30 GHEDHM COc1ccc2nc(NN=C(C)c3ccc(-c4nnn[n-]4)c(F)c3)c(C)cc2c1 ZINC000826213712 609307319 /nfs/dbraw/zinc/30/73/19/609307319.db2.gz JHFWEHZLVRLYMC-UHFFFAOYSA-N -1 3 391.410 3.707 20 30 GHEDHM COc1ccc2nc(NN=C(C)c3ccc(-c4nn[n-]n4)c(F)c3)c(C)cc2c1 ZINC000826213712 609307322 /nfs/dbraw/zinc/30/73/22/609307322.db2.gz JHFWEHZLVRLYMC-UHFFFAOYSA-N -1 3 391.410 3.707 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(Cl)s2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359285 609308025 /nfs/dbraw/zinc/30/80/25/609308025.db2.gz BMRBWCYRPIJSOQ-VOTSOKGWSA-N -1 3 396.863 3.878 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(Cl)s2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359285 609308026 /nfs/dbraw/zinc/30/80/26/609308026.db2.gz BMRBWCYRPIJSOQ-VOTSOKGWSA-N -1 3 396.863 3.878 20 30 GHEDHM Cc1cc(C)cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264774 609309013 /nfs/dbraw/zinc/30/90/13/609309013.db2.gz ZXZUOZUWKGHKID-CMDGGOBGSA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1cc(C)cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264774 609309014 /nfs/dbraw/zinc/30/90/14/609309014.db2.gz ZXZUOZUWKGHKID-CMDGGOBGSA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NCC(C)(C)C#N ZINC000826272197 609404708 /nfs/dbraw/zinc/40/47/08/609404708.db2.gz YNCQFGZHHYHANI-UHFFFAOYSA-N -1 3 391.435 3.639 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NCC(C)(C)C#N ZINC000826272197 609404711 /nfs/dbraw/zinc/40/47/11/609404711.db2.gz YNCQFGZHHYHANI-UHFFFAOYSA-N -1 3 391.435 3.639 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(F)(F)F ZINC000177619810 838036631 /nfs/dbraw/zinc/03/66/31/838036631.db2.gz NPEFMKQNUQZTKH-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCCCC1 ZINC000314507436 838103040 /nfs/dbraw/zinc/10/30/40/838103040.db2.gz NANIWRRRWUDKNW-CYBMUJFWSA-N -1 3 391.718 3.853 20 30 GHEDHM CN(C1CCCCC1)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000046705954 838288514 /nfs/dbraw/zinc/28/85/14/838288514.db2.gz OPRFJRXTCSIGBY-LJQANCHMSA-N -1 3 397.500 3.525 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cccc3)c(F)c2)n1 ZINC000511748702 840626016 /nfs/dbraw/zinc/62/60/16/840626016.db2.gz SGXYXMPWWMVCMH-CYBMUJFWSA-N -1 3 383.404 3.740 20 30 GHEDHM Cc1ccc([C@@H](C/N=C\c2cc(Br)ccc2[O-])N2CCOCC2)o1 ZINC000255274764 840760918 /nfs/dbraw/zinc/76/09/18/840760918.db2.gz XPGGYWUWKYZHMI-IWEBCOIVSA-N -1 3 393.281 3.549 20 30 GHEDHM CCCN1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2ccc(F)cc21 ZINC000481379279 861218242 /nfs/dbraw/zinc/21/82/42/861218242.db2.gz VVWAQBHZDMBGQP-UHFFFAOYSA-N -1 3 396.466 3.611 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000279973367 844924794 /nfs/dbraw/zinc/92/47/94/844924794.db2.gz JLRGOUPOQRZILZ-FUHWJXTLSA-N -1 3 381.451 3.800 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(F)cc1F)C(C)C ZINC000119474108 845381213 /nfs/dbraw/zinc/38/12/13/845381213.db2.gz PJCFOPIIWZQAAQ-FQEVSTJZSA-N -1 3 387.430 3.588 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421461628 846253637 /nfs/dbraw/zinc/25/36/37/846253637.db2.gz SFSYEXZTLQTDTB-NSHDSACASA-N -1 3 380.516 3.798 20 30 GHEDHM CC(C)(C)OC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1 ZINC000503563960 847787177 /nfs/dbraw/zinc/78/71/77/847787177.db2.gz VSYAHPSGZPLDOK-INIZCTEOSA-N -1 3 388.427 3.713 20 30 GHEDHM C[C@H](C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F)N(C)CC(F)(F)F ZINC000504298909 850004046 /nfs/dbraw/zinc/00/40/46/850004046.db2.gz QKWHRGPVBRQGQS-HQJQHLMTSA-N -1 3 378.263 3.567 20 30 GHEDHM CCc1ccc([O-])c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000473559568 850183413 /nfs/dbraw/zinc/18/34/13/850183413.db2.gz GGQYWDTXCMKBKD-IBGZPJMESA-N -1 3 383.879 3.631 20 30 GHEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000908635490 850231986 /nfs/dbraw/zinc/23/19/86/850231986.db2.gz MCGPKOZNBFCYAY-GFCCVEGCSA-N -1 3 379.482 3.630 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000043730987 850359145 /nfs/dbraw/zinc/35/91/45/850359145.db2.gz ZIYLKZRATBNOAF-UHFFFAOYSA-N -1 3 379.460 3.756 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000018021943 850668361 /nfs/dbraw/zinc/66/83/61/850668361.db2.gz YXVLWIVFZALRTN-GFCCVEGCSA-N -1 3 392.286 3.980 20 30 GHEDHM CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c([O-])c1 ZINC000436541948 852053484 /nfs/dbraw/zinc/05/34/84/852053484.db2.gz AUMIXCRDMKIIGO-GOSISDBHSA-N -1 3 395.484 3.541 20 30 GHEDHM C=CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436558288 852062309 /nfs/dbraw/zinc/06/23/09/852062309.db2.gz XGCQDLNYCBARQW-INIZCTEOSA-N -1 3 391.475 3.881 20 30 GHEDHM N#Cc1ccccc1COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000426811611 852422852 /nfs/dbraw/zinc/42/28/52/852422852.db2.gz UMSLUPGHHGXBRB-JOCHJYFZSA-N -1 3 388.423 3.758 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(F)cc1Br ZINC000427310410 852969492 /nfs/dbraw/zinc/96/94/92/852969492.db2.gz ZFOSCNVAHRLXML-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(F)c1 ZINC000427325988 852984954 /nfs/dbraw/zinc/98/49/54/852984954.db2.gz APLYCBJUVJHOFC-UHFFFAOYSA-N -1 3 394.399 3.593 20 30 GHEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000589588938 855073653 /nfs/dbraw/zinc/07/36/53/855073653.db2.gz PVCADASTKWHTCW-HZMBPMFUSA-N -1 3 391.718 3.853 20 30 GHEDHM N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000106749301 855293446 /nfs/dbraw/zinc/29/34/46/855293446.db2.gz AGBXDJKADYHPPG-UHFFFAOYSA-N -1 3 391.284 3.879 20 30 GHEDHM N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000106749301 855293456 /nfs/dbraw/zinc/29/34/56/855293456.db2.gz AGBXDJKADYHPPG-UHFFFAOYSA-N -1 3 391.284 3.879 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000590314949 855372674 /nfs/dbraw/zinc/37/26/74/855372674.db2.gz HWWRVQJELMMLII-JTQLQIEISA-N -1 3 398.688 3.834 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000055778756 855392146 /nfs/dbraw/zinc/39/21/46/855392146.db2.gz MAPIBAQLUJNZBT-LJQANCHMSA-N -1 3 383.879 3.813 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(Cl)c(F)c2)C1=O ZINC000766055596 862806266 /nfs/dbraw/zinc/80/62/66/862806266.db2.gz LXDOBFNMCJRKSK-SFHVURJKSA-N -1 3 383.851 3.795 20 30 GHEDHM C=CCCCCCN(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000265768445 856719469 /nfs/dbraw/zinc/71/94/69/856719469.db2.gz LQZPQAGIQSAOQE-UHFFFAOYSA-N -1 3 383.514 3.667 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485947782 857239824 /nfs/dbraw/zinc/23/98/24/857239824.db2.gz AAEHKIVQYWHSAV-ZDUSSCGKSA-N -1 3 388.798 3.836 20 30 GHEDHM N#Cc1cnccc1[N-]C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000557307885 862911585 /nfs/dbraw/zinc/91/15/85/862911585.db2.gz HWPWIEAWGWFKSF-UHFFFAOYSA-N -1 3 390.403 3.654 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)c1 ZINC000521325858 857875984 /nfs/dbraw/zinc/87/59/84/857875984.db2.gz WAYRKYFUFSZFDL-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM Cc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1cccc(C)c1 ZINC000592673993 858001154 /nfs/dbraw/zinc/00/11/54/858001154.db2.gz OECGHGFXXGXCGT-UHFFFAOYSA-N -1 3 389.459 3.650 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(CSc4nccn4C)o3)nc21 ZINC000605363210 863009552 /nfs/dbraw/zinc/00/95/52/863009552.db2.gz OUNULRPQZMESFJ-CQSZACIVSA-N -1 3 391.456 3.980 20 30 GHEDHM C=CC[C@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000595658607 858641086 /nfs/dbraw/zinc/64/10/86/858641086.db2.gz GCBGNCBELYHIIM-KGLIPLIRSA-N -1 3 389.521 3.819 20 30 GHEDHM N#Cc1nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)sc1Cl ZINC000596080539 858775705 /nfs/dbraw/zinc/77/57/05/858775705.db2.gz IKGWMIQHGRTEJS-UHFFFAOYSA-N -1 3 397.287 3.882 20 30 GHEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000171979970 863063121 /nfs/dbraw/zinc/06/31/21/863063121.db2.gz QQYGVXGCCZSAAY-QGZVFWFLSA-N -1 3 378.819 3.795 20 30 GHEDHM Cc1c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nnn1-c1cccc(C)c1 ZINC000764303677 859366409 /nfs/dbraw/zinc/36/64/09/859366409.db2.gz ZSVMCCQNKYDLAJ-UHFFFAOYSA-N -1 3 396.794 3.570 20 30 GHEDHM Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602196105 859845590 /nfs/dbraw/zinc/84/55/90/859845590.db2.gz WBIAVAQBYUOEQF-UHFFFAOYSA-N -1 3 378.457 3.775 20 30 GHEDHM CCOc1cc(C=NNCc2ccc(F)cc2F)cc(Br)c1[O-] ZINC000727060608 859912181 /nfs/dbraw/zinc/91/21/81/859912181.db2.gz SGTYQFLDOWLFTR-UHFFFAOYSA-N -1 3 385.208 3.955 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000092029535 859979399 /nfs/dbraw/zinc/97/93/99/859979399.db2.gz JIGZKTZSHOPNIB-UHFFFAOYSA-N -1 3 395.890 3.765 20 30 GHEDHM N#Cc1ccc(-n2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)n2)c(Cl)c1 ZINC000469815478 860262576 /nfs/dbraw/zinc/26/25/76/860262576.db2.gz FSFAHILOSWVTKQ-UHFFFAOYSA-N -1 3 398.825 3.625 20 30 GHEDHM C=CC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccncc1 ZINC000734515776 864271922 /nfs/dbraw/zinc/27/19/22/864271922.db2.gz QIDZGJYGGIOQRW-SFHVURJKSA-N -1 3 375.432 3.992 20 30 GHEDHM Cc1nc(-c2cccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2)cs1 ZINC000174009769 865866254 /nfs/dbraw/zinc/86/62/54/865866254.db2.gz KLAHJPKBIIJPST-MRXNPFEDSA-N -1 3 377.473 3.927 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccnc(N2CCCCC2)n1 ZINC000740535324 865941700 /nfs/dbraw/zinc/94/17/00/865941700.db2.gz MFJMWAQRVYFTML-SFHVURJKSA-N -1 3 399.454 3.581 20 30 GHEDHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1C ZINC000479308673 867515881 /nfs/dbraw/zinc/51/58/81/867515881.db2.gz PADJITZCLYPWFR-UHFFFAOYSA-N -1 3 392.480 3.908 20 30 GHEDHM CSc1nc(Cl)c(C(=O)[N-]c2ccc(F)c(C#N)c2F)c(Cl)n1 ZINC001192628522 870576134 /nfs/dbraw/zinc/57/61/34/870576134.db2.gz VERCSVWDNAPZTF-UHFFFAOYSA-N -1 3 375.187 3.907 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)sc1Br ZINC001192644103 870588156 /nfs/dbraw/zinc/58/81/56/870588156.db2.gz OKFFLOWGGYRACG-UHFFFAOYSA-N -1 3 377.329 3.571 20 30 GHEDHM C=CCOC(=O)N1CCC2(CN(Cc3c(Cl)cc([O-])cc3Cl)C2)CC1 ZINC001142106083 870953335 /nfs/dbraw/zinc/95/33/35/870953335.db2.gz YLIVTXXZRPPVCP-UHFFFAOYSA-N -1 3 385.291 3.919 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2Cl)c1 ZINC001193689264 871238461 /nfs/dbraw/zinc/23/84/61/871238461.db2.gz KFNAZHMTTGGQBR-UHFFFAOYSA-N -1 3 382.228 3.546 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)c(F)c1F ZINC001193795478 871285278 /nfs/dbraw/zinc/28/52/78/871285278.db2.gz KJYXYVIXWZXXFM-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2nsnc2cc1Cl ZINC001196690097 873328129 /nfs/dbraw/zinc/32/81/29/873328129.db2.gz JYXHNZGMIKBVBI-UHFFFAOYSA-N -1 3 385.257 3.671 20 30 GHEDHM N#Cc1cccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1Br ZINC001197609349 873909531 /nfs/dbraw/zinc/90/95/31/873909531.db2.gz XUAZMYCDRJTXCQ-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM N#Cc1cccc(NC(=S)Nc2ccc([O-])c(I)c2)c1 ZINC001197712584 873996497 /nfs/dbraw/zinc/99/64/97/873996497.db2.gz OYLFBKMFFHESLR-UHFFFAOYSA-N -1 3 395.225 3.677 20 30 GHEDHM CCCCCCCOc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769819259 874283833 /nfs/dbraw/zinc/28/38/33/874283833.db2.gz OQXVQUWQEDTBQA-UHFFFAOYSA-N -1 3 382.468 3.864 20 30 GHEDHM N#CCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000785531286 876088048 /nfs/dbraw/zinc/08/80/48/876088048.db2.gz GDBOMMHTHPTISY-UHFFFAOYSA-N -1 3 396.827 3.740 20 30 GHEDHM COc1cc([N+](=O)[O-])ccc1NN=C(C)c1cc(Br)ccc1[O-] ZINC000746679498 877368765 /nfs/dbraw/zinc/36/87/65/877368765.db2.gz IOYVOMCNPVYISW-UHFFFAOYSA-N -1 3 380.198 3.908 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)cc1 ZINC000069072697 879487719 /nfs/dbraw/zinc/48/77/19/879487719.db2.gz VCDNAQGAUHDNCL-UHFFFAOYSA-N -1 3 398.378 3.878 20 30 GHEDHM C[C@]1(C2CC2)NC(=O)N(c2ccc(CN=Cc3cc(Cl)ccc3[O-])cc2)C1=O ZINC000790575576 879863448 /nfs/dbraw/zinc/86/34/48/879863448.db2.gz UHDVLSPRYNXPAB-IVZMSFFOSA-N -1 3 397.862 3.890 20 30 GHEDHM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000183041572 880052618 /nfs/dbraw/zinc/05/26/18/880052618.db2.gz NWBYDDMLRSQCGM-UHFFFAOYSA-N -1 3 376.453 3.583 20 30 GHEDHM Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000537474461 884417780 /nfs/dbraw/zinc/41/77/80/884417780.db2.gz BFFSGRGATLKDGD-QGZVFWFLSA-N -1 3 394.438 3.886 20 30 GHEDHM N#CC(=C([O-])C=Cc1csc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000860484162 884726386 /nfs/dbraw/zinc/72/63/86/884726386.db2.gz XSYZJCLEWISMKS-FOQNGQEVSA-N -1 3 380.395 3.974 20 30 GHEDHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000914892257 885119245 /nfs/dbraw/zinc/11/92/45/885119245.db2.gz WIHFWNXZTSFEFY-VIFPVBQESA-N -1 3 385.470 3.835 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cn(C(F)F)c2ccccc12 ZINC000863139777 886888303 /nfs/dbraw/zinc/88/83/03/886888303.db2.gz PJQUGECBRKWUHT-UHFFFAOYSA-N -1 3 398.413 3.875 20 30 GHEDHM CCCCN(O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC001184315244 913122289 /nfs/dbraw/zinc/12/22/89/913122289.db2.gz WDMCBRAXTWWZII-UHFFFAOYSA-N -1 3 376.478 3.736 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000119974461 887689682 /nfs/dbraw/zinc/68/96/82/887689682.db2.gz NPFDXSXSCHAURF-HNNXBMFYSA-N -1 3 380.297 3.814 20 30 GHEDHM COC(=O)c1csc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)c1 ZINC000794725559 887947811 /nfs/dbraw/zinc/94/78/11/887947811.db2.gz ZFDBZGJDDXCTEX-ONEGZZNKSA-N -1 3 397.246 3.908 20 30 GHEDHM CN(C(=O)OC(C)(C)C)c1ccc(CC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001184483102 913251134 /nfs/dbraw/zinc/25/11/34/913251134.db2.gz XEVIEWZXYSPGNJ-UHFFFAOYSA-N -1 3 381.432 3.816 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000811186378 889273036 /nfs/dbraw/zinc/27/30/36/889273036.db2.gz LYHIPOABAXOROU-LSDHHAIUSA-N -1 3 388.423 3.840 20 30 GHEDHM CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186210 889273333 /nfs/dbraw/zinc/27/33/33/889273333.db2.gz GUZCRMOHSNMOQW-UHFFFAOYSA-N -1 3 394.427 3.822 20 30 GHEDHM N#Cc1ccc(NC(=O)Nc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)cc1 ZINC001184753046 913391283 /nfs/dbraw/zinc/39/12/83/913391283.db2.gz FXNRSUYAPATGPK-UHFFFAOYSA-N -1 3 383.363 3.683 20 30 GHEDHM N#CC(=C([O-])C=Cc1ccsc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000870162566 890237551 /nfs/dbraw/zinc/23/75/51/890237551.db2.gz JPTCCFSJIMQQAH-FOQNGQEVSA-N -1 3 380.395 3.974 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3)oc2C)c1 ZINC000916894047 890327669 /nfs/dbraw/zinc/32/76/69/890327669.db2.gz KVWIYVJVRGXJCJ-KRWDZBQOSA-N -1 3 375.384 3.620 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000916912212 890412577 /nfs/dbraw/zinc/41/25/77/890412577.db2.gz ZHWIJYZLKIGSQW-INIZCTEOSA-N -1 3 378.819 3.546 20 30 GHEDHM COc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C(F)(F)F ZINC000870686808 890470043 /nfs/dbraw/zinc/47/00/43/890470043.db2.gz YPRIMWRKDZJOGV-UHFFFAOYSA-N -1 3 394.349 3.841 20 30 GHEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000917555506 892202432 /nfs/dbraw/zinc/20/24/32/892202432.db2.gz SRZIYYAJMZYCHX-UHFFFAOYSA-N -1 3 380.415 3.652 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC(F)F ZINC000826191016 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AXRCWMJVEBGBIA-QGZVFWFLSA-N -1 3 387.395 3.844 20 30 GHEDHM C#CC[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000750775037 927842488 /nfs/dbraw/zinc/84/24/88/927842488.db2.gz MEJHYTPMJLYQAM-IBGZPJMESA-N -1 3 387.432 3.585 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)nc(C(F)F)n4C)nc1-2 ZINC000467206077 928824226 /nfs/dbraw/zinc/82/42/26/928824226.db2.gz JTPPQLDJLGZTEG-LLVKDONJSA-N -1 3 380.358 3.581 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC000546457892 930181459 /nfs/dbraw/zinc/18/14/59/930181459.db2.gz ZIJJCAJSLADKKB-UHFFFAOYSA-N -1 3 389.337 3.525 20 30 GHEDHM CC[C@H](Cc1ccccc1Br)/N=C/c1c([O-])c(C)ncc1CO ZINC000759643345 930435774 /nfs/dbraw/zinc/43/57/74/930435774.db2.gz MAQJTPZTPCOYAE-SBUZPKSBSA-N -1 3 377.282 3.791 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(I)c([O-])c1)c1cccc(C#N)c1 ZINC000784710491 931985041 /nfs/dbraw/zinc/98/50/41/931985041.db2.gz FWKKVAOYTPHSOX-SNVBAGLBSA-N -1 3 393.180 3.786 20 30 GHEDHM C=C(C)CN(C)c1nnc(-c2sc3ncccc3c2[O-])n1Cc1cc(C)on1 ZINC001123843734 935305033 /nfs/dbraw/zinc/30/50/33/935305033.db2.gz NALREWMWQLCCOU-UHFFFAOYSA-N -1 3 396.476 3.617 20 30 GHEDHM C=C[C@@H](OC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001573316123 947267176 /nfs/dbraw/zinc/26/71/76/947267176.db2.gz RWZGSTFHFKXUID-MRXNPFEDSA-N -1 3 395.488 3.750 20 30 GHEDHM C=C[C@@H](OC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001573316123 947267185 /nfs/dbraw/zinc/26/71/85/947267185.db2.gz RWZGSTFHFKXUID-MRXNPFEDSA-N -1 3 395.488 3.750 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C)c(C)c1Cl ZINC001573342102 947539927 /nfs/dbraw/zinc/53/99/27/947539927.db2.gz TYVOXKZKDAWOSO-UHFFFAOYSA-N -1 3 381.867 3.965 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C)c(C)c1Cl ZINC001573342102 947539939 /nfs/dbraw/zinc/53/99/39/947539939.db2.gz TYVOXKZKDAWOSO-UHFFFAOYSA-N -1 3 381.867 3.965 20 30 GHEDHM C=CCCCCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001226735222 1032099906 /nfs/dbraw/zinc/09/99/06/1032099906.db2.gz VETWPYLKXFDDOL-AWEZNQCLSA-N -1 3 383.414 3.725 20 30 GHEDHM C#CC1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])CC1 ZINC001588383390 983380737 /nfs/dbraw/zinc/38/07/37/983380737.db2.gz YCVBCSMMVVLFJQ-UHFFFAOYSA-N -1 3 378.259 3.723 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3cc[nH]c3c2F)c(C)c1[O-] ZINC001154947595 1032355718 /nfs/dbraw/zinc/35/57/18/1032355718.db2.gz NLLYLGOLVVUJPU-UHFFFAOYSA-N -1 3 381.363 3.622 20 30 GHEDHM C#C[C@@H](Oc1cc(OC)cc2c1C(=O)c1c([O-])cc(C)cc1C2=O)c1ccncc1 ZINC001227391838 1032400733 /nfs/dbraw/zinc/40/07/33/1032400733.db2.gz BIPNIKUFKSLNCN-LJQANCHMSA-N -1 3 399.402 3.633 20 30 GHEDHM COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccn3)c2C)c(OC)cc1[O-] ZINC000802705151 1021525012 /nfs/dbraw/zinc/52/50/12/1021525012.db2.gz BSELYQBWFWAJBY-CMDGGOBGSA-N -1 3 379.416 3.503 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cnc(C2CC2)nc1 ZINC000835062779 1021837467 /nfs/dbraw/zinc/83/74/67/1021837467.db2.gz XDTZCLRUSNWNNE-CQSZACIVSA-N -1 3 388.399 3.630 20 30 GHEDHM [O-]c1ccc(F)cc1C=NN1C(=S)N=NC1c1ccccc1Br ZINC000755565832 1023295546 /nfs/dbraw/zinc/29/55/46/1023295546.db2.gz HIPYSJPXPDTYFW-UHFFFAOYSA-N -1 3 393.241 3.723 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)[C@H](NC(=O)[O-])c3ccccc3)nc21 ZINC000830532102 1023970814 /nfs/dbraw/zinc/97/08/14/1023970814.db2.gz LXXGNBLDLBPQFR-SIIHOXLZSA-N -1 3 376.416 3.693 20 30 GHEDHM Cc1cc(CN=Cc2c([O-])c(C)ncc2CO)cc(NC(=O)OC(C)(C)C)c1 ZINC000840708091 1027748394 /nfs/dbraw/zinc/74/83/94/1027748394.db2.gz CCXZAXUVTCJFKV-SSDVNMTOSA-N -1 3 385.464 3.862 20 30 GHEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001214914322 1028963732 /nfs/dbraw/zinc/96/37/32/1028963732.db2.gz KFYKNAZMVKOELZ-UHFFFAOYSA-N -1 3 383.423 3.667 20 30 GHEDHM C[C@H](NC(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O)c1cccc(C#N)c1 ZINC001150475597 1030539044 /nfs/dbraw/zinc/53/90/44/1030539044.db2.gz GTMMPLFCCUQZJX-NSHDSACASA-N -1 3 385.345 3.910 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3ccc(Cl)nc3[nH]2)c(C)c1[O-] ZINC001151753335 1030993019 /nfs/dbraw/zinc/99/30/19/1030993019.db2.gz IRUZFCYGKRBGJQ-UHFFFAOYSA-N -1 3 398.806 3.531 20 30 GHEDHM N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)cc1Cl ZINC001153462325 1031603749 /nfs/dbraw/zinc/60/37/49/1031603749.db2.gz VUAMIWPKPRZUAF-LLVKDONJSA-N -1 3 390.226 3.562 20 30 GHEDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)N([O-])CCCCc1ccccc1 ZINC001161818398 1035307651 /nfs/dbraw/zinc/30/76/51/1035307651.db2.gz ADPADEZWEUAJRV-OTWHNJEPSA-N -1 3 388.508 3.730 20 30 GHEDHM O=C(c1ccc(I)c(F)c1)N([O-])Cc1ccc(F)cc1 ZINC001161843033 1035313845 /nfs/dbraw/zinc/31/38/45/1035313845.db2.gz XXMXGXCBNQRUAS-UHFFFAOYSA-N -1 3 389.139 3.601 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(CNC(=O)c3ccccc3[O-])n2)cc1Cl ZINC001248499553 1035917965 /nfs/dbraw/zinc/91/79/65/1035917965.db2.gz GKOCBAGRIULFDD-UHFFFAOYSA-N -1 3 389.198 3.551 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(-c3ccc(Cc4nnn[n-]4)cc3)c2)cc1 ZINC001242770920 1035956188 /nfs/dbraw/zinc/95/61/88/1035956188.db2.gz FBDNKLIOEHDCMR-UHFFFAOYSA-N -1 3 397.438 3.917 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(-c3ccc(Cc4nn[n-]n4)cc3)c2)cc1 ZINC001242770920 1035956191 /nfs/dbraw/zinc/95/61/91/1035956191.db2.gz FBDNKLIOEHDCMR-UHFFFAOYSA-N -1 3 397.438 3.917 20 30 GHEDHM COC(=O)c1ccc([O-])cc1NC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001245785110 1036997574 /nfs/dbraw/zinc/99/75/74/1036997574.db2.gz IWUBWQPHICTKIJ-UHFFFAOYSA-N -1 3 395.362 3.878 20 30 GHEDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCC[C@@H](C#N)C3)c2)nc1C ZINC001232453332 1038236904 /nfs/dbraw/zinc/23/69/04/1038236904.db2.gz GTGRIOOIWCPZEX-AWEZNQCLSA-N -1 3 385.489 3.736 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2[O-])C[C@@H]1C(F)(F)F ZINC001233387412 1039211698 /nfs/dbraw/zinc/21/16/98/1039211698.db2.gz ICHSAGVZARSQCG-LSDHHAIUSA-N -1 3 399.413 3.541 20 30 GHEDHM N#CC=C([O-])c1ccccc1OC1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001233524118 1039410663 /nfs/dbraw/zinc/41/06/63/1039410663.db2.gz JOLCLLIDEJXCET-UHFFFAOYSA-N -1 3 390.365 3.640 20 30 GHEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001277830339 1039818280 /nfs/dbraw/zinc/81/82/80/1039818280.db2.gz QCWDTRKSJGWXJK-AWEZNQCLSA-N -1 3 396.318 3.721 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)c12 ZINC001234512212 1040089530 /nfs/dbraw/zinc/08/95/30/1040089530.db2.gz BAIILBJAWZISCB-LWMSPQMPSA-N -1 3 393.346 3.612 20 30 GHEDHM C#C[C@@H](Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC)C(C)C ZINC001234756935 1040285761 /nfs/dbraw/zinc/28/57/61/1040285761.db2.gz GILBRDXRWBGRNI-OAHLLOKOSA-N -1 3 398.411 3.714 20 30 GHEDHM C#C[C@@H](Oc1c(OC)cc2c(oc3cc(OC)cc([O-])c3c2=O)c1OC)C(C)C ZINC001234756935 1040285771 /nfs/dbraw/zinc/28/57/71/1040285771.db2.gz GILBRDXRWBGRNI-OAHLLOKOSA-N -1 3 398.411 3.714 20 30 GHEDHM CCC(C#N)(CC)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001260888705 1045742910 /nfs/dbraw/zinc/74/29/10/1045742910.db2.gz MGWARGNWRVARAD-UHFFFAOYSA-N -1 3 399.232 3.829 20 30 GHEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000385126373 1047219068 /nfs/dbraw/zinc/21/90/68/1047219068.db2.gz GJTYMGHSUHKCCX-UHFFFAOYSA-N -1 3 397.132 3.702 20 30 GHEDHM C=CCC[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC001306892808 1048948142 /nfs/dbraw/zinc/94/81/42/1048948142.db2.gz MYBXKMIBXQFQHM-GOSISDBHSA-N -1 3 392.455 3.641 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001289511286 1049520419 /nfs/dbraw/zinc/52/04/19/1049520419.db2.gz HPFDSGARHZAAHS-RTBURBONSA-N -1 3 377.488 3.593 20 30 GHEDHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccc(C#N)cc1 ZINC001290747609 1049915779 /nfs/dbraw/zinc/91/57/79/1049915779.db2.gz LAMKUEOCWQMCHA-NSHDSACASA-N -1 3 396.244 3.653 20 30 GHEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC001475318149 1050478702 /nfs/dbraw/zinc/47/87/02/1050478702.db2.gz TZYHSYCYTKAOSD-HNNXBMFYSA-N -1 3 399.335 3.653 20 30 GHEDHM COc1ccc([C@H](Cc2ccccc2)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001343598436 1053915130 /nfs/dbraw/zinc/91/51/30/1053915130.db2.gz GCFAXPWGNLZEOZ-FQEVSTJZSA-N -1 3 392.480 3.718 20 30 GHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(N2CCN(C)CC2)c(F)c1 ZINC001317891524 1054293546 /nfs/dbraw/zinc/29/35/46/1054293546.db2.gz YBUCGIQSEKWEGK-LKKYZFDUSA-N -1 3 384.426 3.806 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(OC(F)(F)C(F)(F)F)cc2)c1[O-] ZINC001319488922 1055285182 /nfs/dbraw/zinc/28/51/82/1055285182.db2.gz IPFIMKQNUVBJKP-UHFFFAOYSA-N -1 3 376.281 3.872 20 30 GHEDHM Cc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(Sc2ccc(Cl)cc2)c1 ZINC000848135789 1056739056 /nfs/dbraw/zinc/73/90/56/1056739056.db2.gz QNTZKIRUZHXFQY-INIZCTEOSA-N -1 3 390.892 3.910 20 30 GHEDHM CC(=O)c1cccc(NC(=O)c2cccc(CNc3ncccc3C#N)c2)c1[O-] ZINC001450608451 1060634274 /nfs/dbraw/zinc/63/42/74/1060634274.db2.gz MJANVMSWXPBKGQ-UHFFFAOYSA-N -1 3 386.411 3.726 20 30 GHEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H](C)c1sc(CC)nc1C ZINC001346356074 1061528390 /nfs/dbraw/zinc/52/83/90/1061528390.db2.gz OZVQKUMPZLIGIG-ZDUSSCGKSA-N -1 3 399.524 3.542 20 30 GHEDHM Cc1csc([N-]C(=O)c2cnn(-c3ccc(Br)cc3)n2)c1C#N ZINC001436194388 1063280074 /nfs/dbraw/zinc/28/00/74/1063280074.db2.gz ZCODWSMJEXSGEF-UHFFFAOYSA-N -1 3 388.250 3.524 20 30 GHEDHM CC(=O)N[C@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccc(F)cc1F ZINC001457994284 1063493740 /nfs/dbraw/zinc/49/37/40/1063493740.db2.gz PVRVXSZJUJRCGP-QGZVFWFLSA-N -1 3 382.794 3.604 20 30 GHEDHM CCCCCCN([O-])C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N ZINC001458008895 1063504256 /nfs/dbraw/zinc/50/42/56/1063504256.db2.gz BTGHQAPJVGPGAO-NGEICVOHSA-N -1 3 379.501 3.571 20 30 GHEDHM C=CCN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC001458335384 1063751599 /nfs/dbraw/zinc/75/15/99/1063751599.db2.gz ULIDYGAKYMBRHP-UHFFFAOYSA-N -1 3 375.450 3.635 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CCCC)cc2)ccc1F ZINC001350457657 1064093272 /nfs/dbraw/zinc/09/32/72/1064093272.db2.gz JZESOUUXKCWELF-UHFFFAOYSA-N -1 3 390.480 3.885 20 30 GHEDHM C=C1CCC(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CC1 ZINC001464462971 1065025727 /nfs/dbraw/zinc/02/57/27/1065025727.db2.gz MUMSFUFSSPOMCK-UHFFFAOYSA-N -1 3 379.503 3.713 20 30 GHEDHM Cc1cc(=O)[n-]c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 ZINC001300201698 1065672233 /nfs/dbraw/zinc/67/22/33/1065672233.db2.gz QJHZJHYNFUWVPX-UHFFFAOYSA-N -1 3 390.468 3.585 20 30 GHEDHM C=C1CCC(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC001471251399 1072983770 /nfs/dbraw/zinc/98/37/70/1072983770.db2.gz PHLAXTLYYXAFPH-OAHLLOKOSA-N -1 3 380.410 3.932 20 30 GHEDHM CCCCN([O-])C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001472620740 1073580774 /nfs/dbraw/zinc/58/07/74/1073580774.db2.gz PAMUARKNVCSLRV-OAHLLOKOSA-N -1 3 382.460 3.932 20 30 GHEDHM CCCCN([O-])C(=O)[C@H]1CCC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 ZINC001472620513 1073581048 /nfs/dbraw/zinc/58/10/48/1073581048.db2.gz FWLLZTAYJGCAAV-AZUAARDMSA-N -1 3 376.497 3.793 20 30 GHEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC001475201436 1074782531 /nfs/dbraw/zinc/78/25/31/1074782531.db2.gz VUFUONANVORYCR-KRWDZBQOSA-N -1 3 380.485 3.549 20 30 GHEDHM COc1ccccc1C1([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC001475422195 1074868623 /nfs/dbraw/zinc/86/86/23/1074868623.db2.gz WLLBHIONUYYOLM-UHFFFAOYSA-N -1 3 384.482 3.749 20 30 GHEDHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000737119784 598919630 /nfs/dbraw/zinc/91/96/30/598919630.db2.gz GBMGONFVDYOWDI-ZDUSSCGKSA-N -1 3 398.426 3.642 20 30 GHEDHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000737119784 598919631 /nfs/dbraw/zinc/91/96/31/598919631.db2.gz GBMGONFVDYOWDI-ZDUSSCGKSA-N -1 3 398.426 3.642 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2SC(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737707569 598920480 /nfs/dbraw/zinc/92/04/80/598920480.db2.gz ACUCPSPREHUDDT-UHFFFAOYSA-N -1 3 390.350 3.603 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2SC(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737707569 598920481 /nfs/dbraw/zinc/92/04/81/598920481.db2.gz ACUCPSPREHUDDT-UHFFFAOYSA-N -1 3 390.350 3.603 20 30 GHEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000737715999 598922128 /nfs/dbraw/zinc/92/21/28/598922128.db2.gz JQYHUFOVSYUGMY-UHFFFAOYSA-N -1 3 384.399 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000737715999 598922130 /nfs/dbraw/zinc/92/21/30/598922130.db2.gz JQYHUFOVSYUGMY-UHFFFAOYSA-N -1 3 384.399 3.570 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1-c1nnn[n-]1 ZINC000737708131 598926956 /nfs/dbraw/zinc/92/69/56/598926956.db2.gz CWIQVHOUUZXNRR-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1-c1nn[n-]n1 ZINC000737708131 598926958 /nfs/dbraw/zinc/92/69/58/598926958.db2.gz CWIQVHOUUZXNRR-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM COc1ccc(OC(F)F)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821837295 599116100 /nfs/dbraw/zinc/11/61/00/599116100.db2.gz CHKSIAZFIDDOHE-FMIVXFBMSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1ccc(OC(F)F)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821837295 599116104 /nfs/dbraw/zinc/11/61/04/599116104.db2.gz CHKSIAZFIDDOHE-FMIVXFBMSA-N -1 3 398.369 3.689 20 30 GHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)oc21 ZINC000736656522 599152183 /nfs/dbraw/zinc/15/21/83/599152183.db2.gz ZXKYIANABCPZDU-CLFYSBASSA-N -1 3 390.399 3.916 20 30 GHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)oc21 ZINC000736656522 599152184 /nfs/dbraw/zinc/15/21/84/599152184.db2.gz ZXKYIANABCPZDU-CLFYSBASSA-N -1 3 390.399 3.916 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2Cl)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203437 599157599 /nfs/dbraw/zinc/15/75/99/599157599.db2.gz UGARSYMTZHKDNJ-FLIBITNWSA-N -1 3 390.834 3.910 20 30 GHEDHM CCC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736414975 599199802 /nfs/dbraw/zinc/19/98/02/599199802.db2.gz CPRFSDLHXDENCY-CQSZACIVSA-N -1 3 396.838 3.734 20 30 GHEDHM CCC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736414975 599199803 /nfs/dbraw/zinc/19/98/03/599199803.db2.gz CPRFSDLHXDENCY-CQSZACIVSA-N -1 3 396.838 3.734 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccnc2ccccc12 ZINC000735418954 599248005 /nfs/dbraw/zinc/24/80/05/599248005.db2.gz MSZJEBRABVUFII-KHPPLWFESA-N -1 3 396.454 3.643 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccnc2ccccc12 ZINC000735418954 599248006 /nfs/dbraw/zinc/24/80/06/599248006.db2.gz MSZJEBRABVUFII-KHPPLWFESA-N -1 3 396.454 3.643 20 30 GHEDHM Fc1ccc(C#CCNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cc1 ZINC000822766896 607332099 /nfs/dbraw/zinc/33/20/99/607332099.db2.gz POLGWMYCPZFGSI-UHFFFAOYSA-N -1 3 386.390 3.657 20 30 GHEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737074593 598314159 /nfs/dbraw/zinc/31/41/59/598314159.db2.gz XRVFDVFRKOSTIE-UHFFFAOYSA-N -1 3 376.342 3.730 20 30 GHEDHM COc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)c1 ZINC000737072495 598314464 /nfs/dbraw/zinc/31/44/64/598314464.db2.gz KQUMADZSXNUWOD-UHFFFAOYSA-N -1 3 394.332 3.869 20 30 GHEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)c1 ZINC000737072495 598314466 /nfs/dbraw/zinc/31/44/66/598314466.db2.gz KQUMADZSXNUWOD-UHFFFAOYSA-N -1 3 394.332 3.869 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1sc(C)nc1C ZINC000735451217 598363154 /nfs/dbraw/zinc/36/31/54/598363154.db2.gz ULYQOQVVCICCRD-UHFFFAOYSA-N -1 3 381.387 3.795 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1sc(C)nc1C ZINC000735451217 598363156 /nfs/dbraw/zinc/36/31/56/598363156.db2.gz ULYQOQVVCICCRD-UHFFFAOYSA-N -1 3 381.387 3.795 20 30 GHEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735873198 598425331 /nfs/dbraw/zinc/42/53/31/598425331.db2.gz BVMAZEUAALKUSA-UHFFFAOYSA-N -1 3 395.854 3.834 20 30 GHEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735873198 598425333 /nfs/dbraw/zinc/42/53/33/598425333.db2.gz BVMAZEUAALKUSA-UHFFFAOYSA-N -1 3 395.854 3.834 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735977709 598561731 /nfs/dbraw/zinc/56/17/31/598561731.db2.gz WUPQTADWXUENGY-LBPRGKRZSA-N -1 3 379.449 3.905 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735977709 598561733 /nfs/dbraw/zinc/56/17/33/598561733.db2.gz WUPQTADWXUENGY-LBPRGKRZSA-N -1 3 379.449 3.905 20 30 GHEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(C(C)(C)C)cc1 ZINC000736191799 598569184 /nfs/dbraw/zinc/56/91/84/598569184.db2.gz ITRZUSRUTVUALU-LLVKDONJSA-N -1 3 379.493 3.866 20 30 GHEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(C(C)(C)C)cc1 ZINC000736191799 598569185 /nfs/dbraw/zinc/56/91/85/598569185.db2.gz ITRZUSRUTVUALU-LLVKDONJSA-N -1 3 379.493 3.866 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1cccc(Cl)c1 ZINC000737202351 598584806 /nfs/dbraw/zinc/58/48/06/598584806.db2.gz LNZAFWWQKUIZLU-HJWRWDBZSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cnn1-c1cccc(Cl)c1 ZINC000737202351 598584809 /nfs/dbraw/zinc/58/48/09/598584809.db2.gz LNZAFWWQKUIZLU-HJWRWDBZSA-N -1 3 390.834 3.910 20 30 GHEDHM N#CCN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccc1 ZINC000737692508 598657594 /nfs/dbraw/zinc/65/75/94/598657594.db2.gz HMVIIGCHHQGRFJ-UHFFFAOYSA-N -1 3 396.410 3.829 20 30 GHEDHM N#CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1 ZINC000737692508 598657596 /nfs/dbraw/zinc/65/75/96/598657596.db2.gz HMVIIGCHHQGRFJ-UHFFFAOYSA-N -1 3 396.410 3.829 20 30 GHEDHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccc(C#N)cc1 ZINC000736139406 598770021 /nfs/dbraw/zinc/77/00/21/598770021.db2.gz QITFZPJQAGVOQK-SNVBAGLBSA-N -1 3 377.358 3.738 20 30 GHEDHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccc(C#N)cc1 ZINC000736139406 598770023 /nfs/dbraw/zinc/77/00/23/598770023.db2.gz QITFZPJQAGVOQK-SNVBAGLBSA-N -1 3 377.358 3.738 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000819743310 599317650 /nfs/dbraw/zinc/31/76/50/599317650.db2.gz GONWTUCCZITERQ-ZJSXRUAMSA-N -1 3 399.498 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000819743310 599317653 /nfs/dbraw/zinc/31/76/53/599317653.db2.gz GONWTUCCZITERQ-ZJSXRUAMSA-N -1 3 399.498 3.676 20 30 GHEDHM N#Cc1ccccc1CSCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737727007 599397167 /nfs/dbraw/zinc/39/71/67/599397167.db2.gz BDXZICMEHRPYHQ-UHFFFAOYSA-N -1 3 387.472 3.632 20 30 GHEDHM N#Cc1ccccc1CSCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737727007 599397170 /nfs/dbraw/zinc/39/71/70/599397170.db2.gz BDXZICMEHRPYHQ-UHFFFAOYSA-N -1 3 387.472 3.632 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c3c(cccc31)CC2 ZINC000737808512 599462313 /nfs/dbraw/zinc/46/23/13/599462313.db2.gz USVNTHBVDLPACV-NTMALXAHSA-N -1 3 392.422 3.662 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c3c(cccc31)CC2 ZINC000737808512 599462315 /nfs/dbraw/zinc/46/23/15/599462315.db2.gz USVNTHBVDLPACV-NTMALXAHSA-N -1 3 392.422 3.662 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1cc(Cl)cs1 ZINC000735418572 599465152 /nfs/dbraw/zinc/46/51/52/599465152.db2.gz HCDIARBFBQSSJB-UHFFFAOYSA-N -1 3 387.896 3.729 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1cc(Cl)cs1 ZINC000735418572 599465154 /nfs/dbraw/zinc/46/51/54/599465154.db2.gz HCDIARBFBQSSJB-UHFFFAOYSA-N -1 3 387.896 3.729 20 30 GHEDHM N#Cc1ccc(CN2CCCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000739116970 600397203 /nfs/dbraw/zinc/39/72/03/600397203.db2.gz GOLIGVPBIXCSAC-HXUWFJFHSA-N -1 3 383.879 3.545 20 30 GHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nnn[n-]4)cc3F)C2=O)c(F)c1 ZINC000822825447 607455178 /nfs/dbraw/zinc/45/51/78/607455178.db2.gz GISFDHHDRRXSRN-IZKYPSLPSA-N -1 3 389.365 3.846 20 30 GHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nn[n-]n4)cc3F)C2=O)c(F)c1 ZINC000822825447 607455180 /nfs/dbraw/zinc/45/51/80/607455180.db2.gz GISFDHHDRRXSRN-IZKYPSLPSA-N -1 3 389.365 3.846 20 30 GHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000738217255 600598372 /nfs/dbraw/zinc/59/83/72/600598372.db2.gz QTPLSMZGLYLLJG-HWPZZCPQSA-N -1 3 377.213 3.936 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Br)c1 ZINC000822923382 607458794 /nfs/dbraw/zinc/45/87/94/607458794.db2.gz QRMVXOZGBYTCCR-GQCTYLIASA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Br)c1 ZINC000822923382 607458796 /nfs/dbraw/zinc/45/87/96/607458796.db2.gz QRMVXOZGBYTCCR-GQCTYLIASA-N -1 3 391.175 3.804 20 30 GHEDHM COc1sc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826221973 607528220 /nfs/dbraw/zinc/52/82/20/607528220.db2.gz CQKHJNXQFMVCSD-VOTSOKGWSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1sc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826221973 607528221 /nfs/dbraw/zinc/52/82/21/607528221.db2.gz CQKHJNXQFMVCSD-VOTSOKGWSA-N -1 3 391.250 3.595 20 30 GHEDHM CN(CCCOc1cccc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830777033 602050911 /nfs/dbraw/zinc/05/09/11/602050911.db2.gz JMJLRNQXYAVJSH-SFHVURJKSA-N -1 3 378.350 3.502 20 30 GHEDHM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000740303544 602670617 /nfs/dbraw/zinc/67/06/17/602670617.db2.gz KQKXJOYZGVPUAU-GOEBONIOSA-N -1 3 399.834 3.776 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(Cl)c(Cl)ccc21 ZINC000823504545 606306967 /nfs/dbraw/zinc/30/69/67/606306967.db2.gz RHOBZGLWJDXGFT-CLTKARDFSA-N -1 3 379.228 3.894 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(Cl)c(Cl)ccc21 ZINC000823504545 606306969 /nfs/dbraw/zinc/30/69/69/606306969.db2.gz RHOBZGLWJDXGFT-CLTKARDFSA-N -1 3 379.228 3.894 20 30 GHEDHM N#Cc1csc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822842488 606492614 /nfs/dbraw/zinc/49/26/14/606492614.db2.gz KQABFXSQGMLTOB-UHFFFAOYSA-N -1 3 386.440 3.647 20 30 GHEDHM N#Cc1csc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822842488 606492615 /nfs/dbraw/zinc/49/26/15/606492615.db2.gz KQABFXSQGMLTOB-UHFFFAOYSA-N -1 3 386.440 3.647 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N(C)[C@@H](C)CC#N ZINC000822211693 606657348 /nfs/dbraw/zinc/65/73/48/606657348.db2.gz LBHKMJBPSZFQAV-AWEZNQCLSA-N -1 3 391.435 3.733 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N(C)[C@@H](C)CC#N ZINC000822211693 606657349 /nfs/dbraw/zinc/65/73/49/606657349.db2.gz LBHKMJBPSZFQAV-AWEZNQCLSA-N -1 3 391.435 3.733 20 30 GHEDHM C#CCCCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000819692681 606955632 /nfs/dbraw/zinc/95/56/32/606955632.db2.gz GPOAYVQXPMEVIA-UHFFFAOYSA-N -1 3 377.473 3.551 20 30 GHEDHM C#CCCCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000819692681 606955634 /nfs/dbraw/zinc/95/56/34/606955634.db2.gz GPOAYVQXPMEVIA-UHFFFAOYSA-N -1 3 377.473 3.551 20 30 GHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000822191823 607006781 /nfs/dbraw/zinc/00/67/81/607006781.db2.gz RSRWBQMRYHPJGW-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822191823 607006783 /nfs/dbraw/zinc/00/67/83/607006783.db2.gz RSRWBQMRYHPJGW-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM C[C@@H]1CC[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820683639 607095043 /nfs/dbraw/zinc/09/50/43/607095043.db2.gz FDYXKIPGLMWCSU-DVOMOZLQSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CC[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820683639 607095045 /nfs/dbraw/zinc/09/50/45/607095045.db2.gz FDYXKIPGLMWCSU-DVOMOZLQSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CC[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820683642 607095243 /nfs/dbraw/zinc/09/52/43/607095243.db2.gz FDYXKIPGLMWCSU-XJKCOSOUSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CC[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820683642 607095245 /nfs/dbraw/zinc/09/52/45/607095245.db2.gz FDYXKIPGLMWCSU-XJKCOSOUSA-N -1 3 392.488 3.993 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000826400885 607915917 /nfs/dbraw/zinc/91/59/17/607915917.db2.gz KLXBIBPMIPHOMF-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000826400885 607915918 /nfs/dbraw/zinc/91/59/18/607915918.db2.gz KLXBIBPMIPHOMF-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)cc1 ZINC000826382481 608003146 /nfs/dbraw/zinc/00/31/46/608003146.db2.gz GSOGRRDHZOGASN-UHFFFAOYSA-N -1 3 386.440 3.914 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)cc1 ZINC000826382481 608003147 /nfs/dbraw/zinc/00/31/47/608003147.db2.gz GSOGRRDHZOGASN-UHFFFAOYSA-N -1 3 386.440 3.914 20 30 GHEDHM Fc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc(C(F)(F)F)c1 ZINC000826372116 608537907 /nfs/dbraw/zinc/53/79/07/608537907.db2.gz IMPJTCLXBAHPSA-UHFFFAOYSA-N -1 3 385.712 3.519 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2ccc(Br)cc21 ZINC000826475991 608756030 /nfs/dbraw/zinc/75/60/30/608756030.db2.gz YCEODNSETBOZOS-YFHOEESVSA-N -1 3 387.262 3.903 20 30 GHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958848 609159927 /nfs/dbraw/zinc/15/99/27/609159927.db2.gz YYZGMHCVWMDPIO-UHFFFAOYSA-N -1 3 389.316 3.732 20 30 GHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958848 609159929 /nfs/dbraw/zinc/15/99/29/609159929.db2.gz YYZGMHCVWMDPIO-UHFFFAOYSA-N -1 3 389.316 3.732 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1OC(F)F ZINC000826215760 609269838 /nfs/dbraw/zinc/26/98/38/609269838.db2.gz YJHQTQTUQYRDTQ-SOFGYWHQSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1OC(F)F ZINC000826215760 609269839 /nfs/dbraw/zinc/26/98/39/609269839.db2.gz YJHQTQTUQYRDTQ-SOFGYWHQSA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826286321 609272510 /nfs/dbraw/zinc/27/25/10/609272510.db2.gz YTMHXMCFVILJCT-ALCCZGGFSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000826286321 609272512 /nfs/dbraw/zinc/27/25/12/609272512.db2.gz YTMHXMCFVILJCT-ALCCZGGFSA-N -1 3 387.212 3.973 20 30 GHEDHM Cn1cc(C=NNc2cccc3c2CCCC3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360672 609304674 /nfs/dbraw/zinc/30/46/74/609304674.db2.gz TXMKVLHUKSNIOI-UHFFFAOYSA-N -1 3 398.474 3.592 20 30 GHEDHM Cn1cc(C=NNc2cccc3c2CCCC3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360672 609304676 /nfs/dbraw/zinc/30/46/76/609304676.db2.gz TXMKVLHUKSNIOI-UHFFFAOYSA-N -1 3 398.474 3.592 20 30 GHEDHM CCc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825705070 609307500 /nfs/dbraw/zinc/30/75/00/609307500.db2.gz VOPIJOZOOLHLBB-CSKARUKUSA-N -1 3 390.472 3.787 20 30 GHEDHM CCc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825705070 609307501 /nfs/dbraw/zinc/30/75/01/609307501.db2.gz VOPIJOZOOLHLBB-CSKARUKUSA-N -1 3 390.472 3.787 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826289931 609308945 /nfs/dbraw/zinc/30/89/45/609308945.db2.gz RWILRJUGTNNIGI-UXBLZVDNSA-N -1 3 388.406 3.704 20 30 GHEDHM C#CCCCCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823841617 609529759 /nfs/dbraw/zinc/52/97/59/609529759.db2.gz QRJSDHGXFWDWMJ-UHFFFAOYSA-N -1 3 389.459 3.968 20 30 GHEDHM C#CCCCCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823841617 609529760 /nfs/dbraw/zinc/52/97/60/609529760.db2.gz QRJSDHGXFWDWMJ-UHFFFAOYSA-N -1 3 389.459 3.968 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(-c2ccco2)cc1F ZINC000468401770 835064487 /nfs/dbraw/zinc/06/44/87/835064487.db2.gz MGNWBQQHEPLEMT-UHFFFAOYSA-N -1 3 393.418 3.924 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3nc(C)ccc3o2)cc1Cl ZINC000179617289 835895817 /nfs/dbraw/zinc/89/58/17/835895817.db2.gz SLXFQSHLWQUTLT-LBPRGKRZSA-N -1 3 383.791 3.759 20 30 GHEDHM N#Cc1cc(C(=O)Nc2cc(I)ccc2[O-])ccc1Cl ZINC000612598117 836469883 /nfs/dbraw/zinc/46/98/83/836469883.db2.gz JFWSCYNIJAJULD-UHFFFAOYSA-N -1 3 398.587 3.774 20 30 GHEDHM N#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(OCc2ccccc2)cc1 ZINC000187713393 837913088 /nfs/dbraw/zinc/91/30/88/837913088.db2.gz XZRLXWGPMVJZSA-FQEVSTJZSA-N -1 3 383.411 3.532 20 30 GHEDHM COc1ccc(C(=O)N(C)C)cc1N=Cc1cc(Br)ccc1[O-] ZINC000255163988 838677668 /nfs/dbraw/zinc/67/76/68/838677668.db2.gz YPHJXKPUHNFGHL-UHFFFAOYSA-N -1 3 377.238 3.616 20 30 GHEDHM N#CCc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000183008606 838884986 /nfs/dbraw/zinc/88/49/86/838884986.db2.gz NJSHQNPFKAPRBB-JOCHJYFZSA-N -1 3 399.450 3.958 20 30 GHEDHM C=CC1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000183756934 839072774 /nfs/dbraw/zinc/07/27/74/839072774.db2.gz SQQBIRMEEOORFT-NRFANRHFSA-N -1 3 378.472 3.678 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccc(C#N)cc2)c(OC)cc1[O-] ZINC000588394302 840441610 /nfs/dbraw/zinc/44/16/10/840441610.db2.gz BMUAPCYNYKQRTM-HJWRWDBZSA-N -1 3 389.411 3.578 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc2c1OCO2 ZINC000123459244 841775966 /nfs/dbraw/zinc/77/59/66/841775966.db2.gz JXFBSJPXFCYZHF-ZDUSSCGKSA-N -1 3 377.183 3.683 20 30 GHEDHM CC(C)(C)OC(=O)Nc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)ccc1F ZINC000730689311 861240763 /nfs/dbraw/zinc/24/07/63/861240763.db2.gz FDTXZVWEQDRSRR-ZDUSSCGKSA-N -1 3 398.394 3.529 20 30 GHEDHM Cc1nn(C)c(C)c1[C@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)C(F)(F)F ZINC000429584366 843977769 /nfs/dbraw/zinc/97/77/69/843977769.db2.gz DTZAAGHTCNINPP-ZDUSSCGKSA-N -1 3 383.267 3.627 20 30 GHEDHM N#Cc1ccccc1COc1cccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000731318890 861572762 /nfs/dbraw/zinc/57/27/62/861572762.db2.gz LVYKKFMFSIMXGI-XKZIYDEJSA-N -1 3 380.403 3.948 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(CCC#N)c1-c1ccccc1 ZINC000429118921 861607733 /nfs/dbraw/zinc/60/77/33/861607733.db2.gz YWZUYWHBUVNAHT-KRWDZBQOSA-N -1 3 394.438 3.841 20 30 GHEDHM CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000588509330 846723402 /nfs/dbraw/zinc/72/34/02/846723402.db2.gz MQFZKVBTQDOKAU-CLFYSBASSA-N -1 3 380.849 3.744 20 30 GHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c(F)c1 ZINC000501320202 846830889 /nfs/dbraw/zinc/83/08/89/846830889.db2.gz YVFXXFIORDKLQS-UHFFFAOYSA-N -1 3 382.120 3.759 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccccc1C(F)(F)F ZINC000017224031 849958547 /nfs/dbraw/zinc/95/85/47/849958547.db2.gz FAYBUCZGQZPXIM-UHFFFAOYSA-N -1 3 378.350 3.558 20 30 GHEDHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(OCCCC#N)c2)no1 ZINC000506719688 850586666 /nfs/dbraw/zinc/58/66/66/850586666.db2.gz OHZQRKZXEZOZIG-UHFFFAOYSA-N -1 3 377.466 3.597 20 30 GHEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC#N)c2)cc1 ZINC000101515784 851631976 /nfs/dbraw/zinc/63/19/76/851631976.db2.gz PNEHOSNEVUTBBJ-UHFFFAOYSA-N -1 3 399.516 3.734 20 30 GHEDHM C=CCOc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000436698184 852213812 /nfs/dbraw/zinc/21/38/12/852213812.db2.gz OVZZOMKKAVFKEA-UHFFFAOYSA-N -1 3 386.879 3.568 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)cc(=O)[n-]1 ZINC000329805683 862333617 /nfs/dbraw/zinc/33/36/17/862333617.db2.gz NFYKCMHJGYEMTL-KFKAGJAMSA-N -1 3 382.464 3.687 20 30 GHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426823782 852436249 /nfs/dbraw/zinc/43/62/49/852436249.db2.gz KDLANMSWNNGMNW-KRWDZBQOSA-N -1 3 376.250 3.929 20 30 GHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1Cl ZINC000426832713 852465576 /nfs/dbraw/zinc/46/55/76/852465576.db2.gz JXPIAIKFISXXST-SFHVURJKSA-N -1 3 379.815 3.968 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912679499 852486581 /nfs/dbraw/zinc/48/65/81/852486581.db2.gz WTRGAGBTDOMQBL-CYBMUJFWSA-N -1 3 384.224 3.600 20 30 GHEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427029585 852631051 /nfs/dbraw/zinc/63/10/51/852631051.db2.gz JLOMPKCBBPPTII-UHFFFAOYSA-N -1 3 393.428 3.524 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000044636403 853738423 /nfs/dbraw/zinc/73/84/23/853738423.db2.gz PJGMLIIHZTVJLI-UHFFFAOYSA-N -1 3 395.478 3.563 20 30 GHEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000589588943 855073391 /nfs/dbraw/zinc/07/33/91/855073391.db2.gz PVCADASTKWHTCW-QMTHXVAHSA-N -1 3 391.718 3.853 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCOC4(CCCC4)C3)cc2)cc(=O)[n-]1 ZINC000330190136 862649181 /nfs/dbraw/zinc/64/91/81/862649181.db2.gz VXLXMBDKUJCVAJ-KRWDZBQOSA-N -1 3 382.464 3.975 20 30 GHEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCc2ccccc2C1 ZINC000056351584 855523631 /nfs/dbraw/zinc/52/36/31/855523631.db2.gz KPWPOBIDIZVBJR-HXUWFJFHSA-N -1 3 391.515 3.592 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000018016116 855633738 /nfs/dbraw/zinc/63/37/38/855633738.db2.gz SHVGPIMMMYDWAX-GFCCVEGCSA-N -1 3 391.393 3.692 20 30 GHEDHM CCOCc1nc(C)c(C(=O)[N-]c2sc(C(=O)OCC)c(C)c2C#N)s1 ZINC000590975020 855682973 /nfs/dbraw/zinc/68/29/73/855682973.db2.gz OCNFWJIZKHXLNO-UHFFFAOYSA-N -1 3 393.490 3.659 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000485390923 856433777 /nfs/dbraw/zinc/43/37/77/856433777.db2.gz RYXGENZVFLDPKZ-UHFFFAOYSA-N -1 3 377.441 3.551 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)s2)cc1 ZINC000131806690 856904236 /nfs/dbraw/zinc/90/42/36/856904236.db2.gz LKPXUPHLUQZAAV-MRXNPFEDSA-N -1 3 377.425 3.780 20 30 GHEDHM COc1ccc2c(c1)O/C(=C/c1ccc(OC)c([O-])c1Br)C2=O ZINC000761009812 857210312 /nfs/dbraw/zinc/21/03/12/857210312.db2.gz HLMLPBBSNIUADQ-VGOFMYFVSA-N -1 3 377.190 3.788 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCCC1 ZINC000312353548 857278677 /nfs/dbraw/zinc/27/86/77/857278677.db2.gz NCJFIWABNQUQDY-UHFFFAOYSA-N -1 3 377.691 3.607 20 30 GHEDHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000593207831 857396553 /nfs/dbraw/zinc/39/65/53/857396553.db2.gz XBZAVFUITVNBLR-UHFFFAOYSA-N -1 3 380.416 3.932 20 30 GHEDHM CC(C)([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)c1cccc(C#N)c1 ZINC001212475379 857692269 /nfs/dbraw/zinc/69/22/69/857692269.db2.gz IQBFKHLSFGJJAG-UHFFFAOYSA-N -1 3 381.482 3.858 20 30 GHEDHM C=CC[C@@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000595658608 858640867 /nfs/dbraw/zinc/64/08/67/858640867.db2.gz GCBGNCBELYHIIM-UONOGXRCSA-N -1 3 389.521 3.819 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=C2COc3ccc(F)cc32)cc1 ZINC000727058119 859911429 /nfs/dbraw/zinc/91/14/29/859911429.db2.gz HMUGNTNENYQLTK-UHFFFAOYSA-N -1 3 397.431 3.835 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(F)cc1)C(C)(C)C ZINC000123688413 860040233 /nfs/dbraw/zinc/04/02/33/860040233.db2.gz VSMXUGBUTFNEFH-UHFFFAOYSA-N -1 3 383.467 3.762 20 30 GHEDHM C=CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000527452086 860179439 /nfs/dbraw/zinc/17/94/39/860179439.db2.gz UWMCHSQPYIDUHL-INIZCTEOSA-N -1 3 399.454 3.911 20 30 GHEDHM Cc1nn(C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3nc4ccccc4n3C)c12 ZINC000193264143 863503649 /nfs/dbraw/zinc/50/36/49/863503649.db2.gz KLITUHOHSAFKCL-OAHLLOKOSA-N -1 3 384.443 3.531 20 30 GHEDHM COc1ccc2ccc([O-])c(CN3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2c1 ZINC000733994715 863907977 /nfs/dbraw/zinc/90/79/77/863907977.db2.gz UEDFJBQJSJAADP-FQEVSTJZSA-N -1 3 387.483 3.764 20 30 GHEDHM COC(=O)Nc1ccc(CCN=Cc2cc(Br)ccc2[O-])cc1 ZINC000737440442 865391261 /nfs/dbraw/zinc/39/12/61/865391261.db2.gz JGYHZTBXVCKDED-YBFXNURJSA-N -1 3 377.238 3.995 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC000737704628 865427771 /nfs/dbraw/zinc/42/77/71/865427771.db2.gz KKOVWNFGKUNUFP-WOJBJXKFSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC000737704628 865427777 /nfs/dbraw/zinc/42/77/77/865427777.db2.gz KKOVWNFGKUNUFP-WOJBJXKFSA-N -1 3 380.411 3.634 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(OC)c(Cl)c1 ZINC000793123635 881930682 /nfs/dbraw/zinc/93/06/82/881930682.db2.gz IIMDULCLUYZOEE-OAHLLOKOSA-N -1 3 385.851 3.830 20 30 GHEDHM COC(=O)c1ccc(Br)c(NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000793113617 881950293 /nfs/dbraw/zinc/95/02/93/881950293.db2.gz OVHZNXJFBQHGAH-UHFFFAOYSA-N -1 3 385.164 3.666 20 30 GHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cn(-c4cccc(Cl)c4)nn3)[nH]c21 ZINC000444453470 866674057 /nfs/dbraw/zinc/67/40/57/866674057.db2.gz IHBJGIHVEWNMKZ-CQSZACIVSA-N -1 3 376.807 3.596 20 30 GHEDHM COC(=O)C[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(C(C)(C)C)cc1 ZINC000737445302 866769906 /nfs/dbraw/zinc/76/99/06/866769906.db2.gz ZSECCIFQYCGWPI-OGBFJMLUSA-N -1 3 384.476 3.609 20 30 GHEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(Br)c1 ZINC000920382854 882075722 /nfs/dbraw/zinc/07/57/22/882075722.db2.gz BJBJHYBHAFFSLQ-UHFFFAOYSA-N -1 3 381.295 3.683 20 30 GHEDHM N#Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1Oc1ccccc1 ZINC000445928997 869184938 /nfs/dbraw/zinc/18/49/38/869184938.db2.gz WPKOEGBBLKWXPR-AWEZNQCLSA-N -1 3 375.306 3.728 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1F ZINC000446153669 869448815 /nfs/dbraw/zinc/44/88/15/869448815.db2.gz JUNSUHQLENKWQT-ZDUSSCGKSA-N -1 3 393.296 3.867 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746066732 870007046 /nfs/dbraw/zinc/00/70/46/870007046.db2.gz HVRDCVDNXCLUGX-UHFFFAOYSA-N -1 3 389.795 3.513 20 30 GHEDHM CN(c1ccccc1)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000181431961 871001716 /nfs/dbraw/zinc/00/17/16/871001716.db2.gz YBUSMCMGLDNOMA-SFHVURJKSA-N -1 3 386.459 3.657 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Br)c1 ZINC001193681074 871232609 /nfs/dbraw/zinc/23/26/09/871232609.db2.gz OPMOKCIMPVTDNL-UHFFFAOYSA-N -1 3 399.241 3.578 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1[O-] ZINC000767336675 872407842 /nfs/dbraw/zinc/40/78/42/872407842.db2.gz GRBOIRXUIZNVMR-FHLSJSRISA-N -1 3 393.512 3.936 20 30 GHEDHM N#Cc1c(F)cc(Br)cc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195421328 872409616 /nfs/dbraw/zinc/40/96/16/872409616.db2.gz BJRWBOZUPNTXEU-UHFFFAOYSA-N -1 3 378.226 3.587 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(-c3ccc(OC(F)F)cn3)nc(=O)c2c1C ZINC000767358102 872450552 /nfs/dbraw/zinc/45/05/52/872450552.db2.gz JUFJMAKKHBFXQV-UHFFFAOYSA-N -1 3 393.371 3.712 20 30 GHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000464416146 873803526 /nfs/dbraw/zinc/80/35/26/873803526.db2.gz GJORONYOXJWJKL-ZDUSSCGKSA-N -1 3 379.707 3.709 20 30 GHEDHM N#CC(=C([O-])c1ccc(N2CCOCC2)c(F)c1)c1nc2cc(F)ccc2s1 ZINC000770124615 874478712 /nfs/dbraw/zinc/47/87/12/874478712.db2.gz LLTSABIEPWZLNO-AWEZNQCLSA-N -1 3 399.422 3.901 20 30 GHEDHM C=CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000770276069 874561455 /nfs/dbraw/zinc/56/14/55/874561455.db2.gz NBHYYKFRCDHUOP-UHFFFAOYSA-N -1 3 382.707 3.746 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775934930 874795833 /nfs/dbraw/zinc/79/58/33/874795833.db2.gz SJYFYXSMIKZXHU-UHFFFAOYSA-N -1 3 386.835 3.766 20 30 GHEDHM N#Cc1c2ccccc2sc1[N-]C(=O)c1cncc(OCC2CCOCC2)n1 ZINC001199162547 874833105 /nfs/dbraw/zinc/83/31/05/874833105.db2.gz BLKHCSWKFGIRHL-UHFFFAOYSA-N -1 3 394.456 3.621 20 30 GHEDHM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000770845832 874884433 /nfs/dbraw/zinc/88/44/33/874884433.db2.gz DZJYOGUERIWSIC-HNNXBMFYSA-N -1 3 378.819 3.795 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)NCC2CCCCC2)c(C)c1[O-] ZINC001199927042 875243864 /nfs/dbraw/zinc/24/38/64/875243864.db2.gz LUJCRUNHKJWYDQ-UHFFFAOYSA-N -1 3 375.494 3.616 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000776273253 876136182 /nfs/dbraw/zinc/13/61/82/876136182.db2.gz FAQSYOVDRFGVSD-UHFFFAOYSA-N -1 3 389.289 3.690 20 30 GHEDHM CCCCCCCCc1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000776328573 876276076 /nfs/dbraw/zinc/27/60/76/876276076.db2.gz VFONEULMGHOZAI-UHFFFAOYSA-N -1 3 379.442 3.702 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C(=O)OC(C)(C)C)c3)nc1-2 ZINC000537663151 883062595 /nfs/dbraw/zinc/06/25/95/883062595.db2.gz ISMXLMRFMSWKEW-HNNXBMFYSA-N -1 3 376.416 3.712 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3Cl)n2)cc1 ZINC000776515161 877366306 /nfs/dbraw/zinc/36/63/06/877366306.db2.gz HPIIRMYKFPWXHZ-HNNXBMFYSA-N -1 3 395.802 3.965 20 30 GHEDHM CCOc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c(C)c1 ZINC000853271663 878945433 /nfs/dbraw/zinc/94/54/33/878945433.db2.gz LSQYSWWIBCLNNW-SFHVURJKSA-N -1 3 396.472 3.669 20 30 GHEDHM Cc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC000790099869 879463509 /nfs/dbraw/zinc/46/35/09/879463509.db2.gz QXUHOKIYHLRJNO-UHFFFAOYSA-N -1 3 382.464 3.890 20 30 GHEDHM Cc1ccc(CN2CC[C@@H](/N=C\c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000790100484 879465147 /nfs/dbraw/zinc/46/51/47/879465147.db2.gz VFIUXNXXWVSOJM-BYINCCNUSA-N -1 3 387.277 3.683 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2Cl)ccc1F ZINC000152663057 879536267 /nfs/dbraw/zinc/53/62/67/879536267.db2.gz ALKGNFMCWOXJCB-UHFFFAOYSA-N -1 3 382.844 3.504 20 30 GHEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cccc([O-])c1Br ZINC001275210554 912655545 /nfs/dbraw/zinc/65/55/45/912655545.db2.gz UNGSCFSCSGWENW-IBGZPJMESA-N -1 3 393.325 3.688 20 30 GHEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000475804582 884038661 /nfs/dbraw/zinc/03/86/61/884038661.db2.gz DLZMJDAVXKGVEZ-UHFFFAOYSA-N -1 3 387.205 3.594 20 30 GHEDHM C=C(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000476203955 884246737 /nfs/dbraw/zinc/24/67/37/884246737.db2.gz XXXJOFHLRDQQSG-MRXNPFEDSA-N -1 3 386.351 3.608 20 30 GHEDHM COc1cc(/C=C/C(=O)c2cn3c(n2)CCCC3)cc(Br)c1[O-] ZINC000806564369 884816535 /nfs/dbraw/zinc/81/65/35/884816535.db2.gz QPORMLCEIQMGPY-AATRIKPKSA-N -1 3 377.238 3.592 20 30 GHEDHM COc1ccc(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1OC(F)F ZINC000860853695 885052487 /nfs/dbraw/zinc/05/24/87/885052487.db2.gz MTFYFXKWKBFVHP-INIZCTEOSA-N -1 3 399.393 3.849 20 30 GHEDHM COc1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1OC(F)F ZINC000860853695 885052502 /nfs/dbraw/zinc/05/25/02/885052502.db2.gz MTFYFXKWKBFVHP-INIZCTEOSA-N -1 3 399.393 3.849 20 30 GHEDHM CSc1nc([O-])c(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1C#N ZINC000476405195 885636581 /nfs/dbraw/zinc/63/65/81/885636581.db2.gz ANUKPMYWHZOVFX-UHFFFAOYSA-N -1 3 391.412 3.541 20 30 GHEDHM N#CCCCn1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c2ccccc21 ZINC001299199909 887101010 /nfs/dbraw/zinc/10/10/10/887101010.db2.gz YTFSGVCLDXVRMF-UHFFFAOYSA-N -1 3 389.394 3.517 20 30 GHEDHM N#CCCCn1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c2ccccc21 ZINC001299199909 887101012 /nfs/dbraw/zinc/10/10/12/887101012.db2.gz YTFSGVCLDXVRMF-UHFFFAOYSA-N -1 3 389.394 3.517 20 30 GHEDHM C=C(C)CCc1noc([C@@H](CCCC)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000809500878 887496743 /nfs/dbraw/zinc/49/67/43/887496743.db2.gz VSUPTWPHSPPHPJ-OAHLLOKOSA-N -1 3 388.493 3.548 20 30 GHEDHM C#CCC1(OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCC1 ZINC000810748367 888848858 /nfs/dbraw/zinc/84/88/58/888848858.db2.gz AKMDVUXVUZQUBO-UHFFFAOYSA-N -1 3 387.432 3.729 20 30 GHEDHM COC(=O)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000811185681 889271814 /nfs/dbraw/zinc/27/18/14/889271814.db2.gz REAHZNOVAGIQMC-HNNXBMFYSA-N -1 3 380.183 3.642 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn(CC2CC2)c1 ZINC000870142107 890229173 /nfs/dbraw/zinc/22/91/73/890229173.db2.gz GJGYHFRECOIWAQ-ZDUSSCGKSA-N -1 3 377.231 3.561 20 30 GHEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)s1 ZINC000916942378 890576741 /nfs/dbraw/zinc/57/67/41/890576741.db2.gz KHXPYYOUBSPGSX-OAHLLOKOSA-N -1 3 399.472 3.542 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OCC(F)(F)F)n2)cc1 ZINC000124031389 891230485 /nfs/dbraw/zinc/23/04/85/891230485.db2.gz BYUGLAGQZOIIPO-CQSZACIVSA-N -1 3 391.349 3.546 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)n1ccccc1=NC1CCCCC1 ZINC000814472982 892784038 /nfs/dbraw/zinc/78/40/38/892784038.db2.gz ZCFDORKJWAARQI-UHFFFAOYSA-N -1 3 378.476 3.584 20 30 GHEDHM N#C[C@H]1N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCC[C@]12CCCCO2 ZINC000556092619 893703729 /nfs/dbraw/zinc/70/37/29/893703729.db2.gz IOTHPXFJZUQFQC-IIBYNOLFSA-N -1 3 378.432 3.509 20 30 GHEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001136286185 897063290 /nfs/dbraw/zinc/06/32/90/897063290.db2.gz HSYIDFJLOBJUMH-UHFFFAOYSA-N -1 3 392.286 3.775 20 30 GHEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnc4n3CCCC4)n2)cc1 ZINC000567560710 897250304 /nfs/dbraw/zinc/25/03/04/897250304.db2.gz NVUOZGYWFQLODT-HNNXBMFYSA-N -1 3 378.457 3.842 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823898964 899291066 /nfs/dbraw/zinc/29/10/66/899291066.db2.gz GRPOKAYMGQZLBW-HOTGVXAUSA-N -1 3 391.475 3.692 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823898964 899291078 /nfs/dbraw/zinc/29/10/78/899291078.db2.gz GRPOKAYMGQZLBW-HOTGVXAUSA-N -1 3 391.475 3.692 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823894529 899308831 /nfs/dbraw/zinc/30/88/31/899308831.db2.gz SIIXPXOYFNWPSX-AWEZNQCLSA-N -1 3 381.436 3.513 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823894529 899308844 /nfs/dbraw/zinc/30/88/44/899308844.db2.gz SIIXPXOYFNWPSX-AWEZNQCLSA-N -1 3 381.436 3.513 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000118300403 899431257 /nfs/dbraw/zinc/43/12/57/899431257.db2.gz YBFNFYVVLKSKEU-IERDGZPVSA-N -1 3 395.528 3.501 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sccc1C(=O)C(C)(C)C ZINC000118627414 899451321 /nfs/dbraw/zinc/45/13/21/899451321.db2.gz ADVZUSOLZOWWGC-UHFFFAOYSA-N -1 3 385.489 3.725 20 30 GHEDHM C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824513733 899651455 /nfs/dbraw/zinc/65/14/55/899651455.db2.gz GYZGPBLKMIEIKB-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513733 899651467 /nfs/dbraw/zinc/65/14/67/899651467.db2.gz GYZGPBLKMIEIKB-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824515943 899652854 /nfs/dbraw/zinc/65/28/54/899652854.db2.gz USMAQLPPBXHGPO-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824515943 899652856 /nfs/dbraw/zinc/65/28/56/899652856.db2.gz USMAQLPPBXHGPO-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM COc1ccc(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(Cl)c1OC ZINC000845845532 902414432 /nfs/dbraw/zinc/41/44/32/902414432.db2.gz YKYFUJJCVKAREA-INIZCTEOSA-N -1 3 397.858 3.909 20 30 GHEDHM COc1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(Cl)c1OC ZINC000845845532 902414438 /nfs/dbraw/zinc/41/44/38/902414438.db2.gz YKYFUJJCVKAREA-INIZCTEOSA-N -1 3 397.858 3.909 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCCOc1ccc2c(c1)OCO2 ZINC000845840533 902456408 /nfs/dbraw/zinc/45/64/08/902456408.db2.gz DKFDNBHIQSXNNH-GOSISDBHSA-N -1 3 391.423 3.584 20 30 GHEDHM N#Cc1cnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(Cl)c1 ZINC000263779051 902515929 /nfs/dbraw/zinc/51/59/29/902515929.db2.gz LHYFIGCMJBHEBA-UHFFFAOYSA-N -1 3 391.258 3.821 20 30 GHEDHM N#CC(=C([O-])c1ccc(C2CCCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000577668561 903026968 /nfs/dbraw/zinc/02/69/68/903026968.db2.gz KTXMOSHAIPIANR-LJQANCHMSA-N -1 3 398.470 3.597 20 30 GHEDHM CSc1cc(Cl)ccc1[N-]C(=O)c1cc(S(=O)(=O)CC#N)ccc1F ZINC001146978548 903652493 /nfs/dbraw/zinc/65/24/93/903652493.db2.gz UBQGPOYZSYSAJP-UHFFFAOYSA-N -1 3 398.868 3.751 20 30 GHEDHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC2(CC1)CC(=O)C=CO2 ZINC000887774978 903839594 /nfs/dbraw/zinc/83/95/94/903839594.db2.gz DNPAHBGSBJZHJG-UHFFFAOYSA-N -1 3 379.412 3.662 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2ccccc2c2nc(C3CCCCC3)[nH]c21 ZINC001171363583 904352460 /nfs/dbraw/zinc/35/24/60/904352460.db2.gz HDGCAZHIBYKFFI-LRDDRELGSA-N -1 3 379.464 3.807 20 30 GHEDHM CCC(=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1)c1ccc(C#N)cc1 ZINC000773020287 904380061 /nfs/dbraw/zinc/38/00/61/904380061.db2.gz ZLYWPQSVTSTLPJ-SFHVURJKSA-N -1 3 391.456 3.613 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCC3)c2)cc1Cl ZINC000779196662 905319094 /nfs/dbraw/zinc/31/90/94/905319094.db2.gz GRSUCYCIBXPHPX-HNNXBMFYSA-N -1 3 399.834 3.636 20 30 GHEDHM COC(=O)c1ccc(C/N=C/c2cc(Br)ccc2[O-])nc1C1CC1 ZINC000779708075 908217187 /nfs/dbraw/zinc/21/71/87/908217187.db2.gz RMRWZRUNZGZERH-AWQFTUOYSA-N -1 3 389.249 3.833 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccs4)[nH]c3c2)c1 ZINC000195662833 909030075 /nfs/dbraw/zinc/03/00/75/909030075.db2.gz URVDPWUJCIPZSH-UHFFFAOYSA-N -1 3 380.454 3.964 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc([O-])c(C#N)c2)c2ccccc21 ZINC001181933598 911087530 /nfs/dbraw/zinc/08/75/30/911087530.db2.gz FBAPBFXJOWRUBC-MRXNPFEDSA-N -1 3 379.416 3.741 20 30 GHEDHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001183014697 912194922 /nfs/dbraw/zinc/19/49/22/912194922.db2.gz BAQQLSLKYRHTQL-SFHVURJKSA-N -1 3 379.416 3.694 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1nc2ccccc2s1 ZINC001187028580 914957557 /nfs/dbraw/zinc/95/75/57/914957557.db2.gz CBFZCBLJKXXNTJ-JTQLQIEISA-N -1 3 377.878 3.861 20 30 GHEDHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001189273371 916529568 /nfs/dbraw/zinc/52/95/68/916529568.db2.gz WQZWGHPZOPDDGM-UHFFFAOYSA-N -1 3 388.264 3.599 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000294253869 916682829 /nfs/dbraw/zinc/68/28/29/916682829.db2.gz RRAYZDLKKDQADC-NRFANRHFSA-N -1 3 375.472 3.962 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000297967093 920030784 /nfs/dbraw/zinc/03/07/84/920030784.db2.gz WEABJOHOEXVJFW-NXEZZACHSA-N -1 3 396.472 3.706 20 30 GHEDHM O=C(/C=C\c1ccccc1)NCCC/N=C\c1cc(Br)ccc1[O-] ZINC000800721466 920394950 /nfs/dbraw/zinc/39/49/50/920394950.db2.gz NSVFKFUBSPMNLA-KUUNSWEKSA-N -1 3 387.277 3.793 20 30 GHEDHM O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N([O-])Cc1cccc2ccccc21 ZINC000901369420 921045553 /nfs/dbraw/zinc/04/55/53/921045553.db2.gz CDGLZJKKAYIXIF-UHFFFAOYSA-N -1 3 380.356 3.551 20 30 GHEDHM CC(=O)N(CCC(=O)N([O-])Cc1cccc2ccccc21)Cc1ccccc1 ZINC000901369951 921046540 /nfs/dbraw/zinc/04/65/40/921046540.db2.gz LXEFIHNYVIYJAW-UHFFFAOYSA-N -1 3 376.456 3.996 20 30 GHEDHM Cc1cn(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nc1C(F)(F)F ZINC000901378431 921054958 /nfs/dbraw/zinc/05/49/58/921054958.db2.gz HKQXVNGYKLVEMG-UHFFFAOYSA-N -1 3 382.169 3.935 20 30 GHEDHM O=C(CCc1nc(-c2ccoc2)no1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378697 921055204 /nfs/dbraw/zinc/05/52/04/921055204.db2.gz PJKOGOIXDPDTLM-UHFFFAOYSA-N -1 3 382.203 3.987 20 30 GHEDHM CC(=[NH+][N-]c1ccc(Br)cn1)c1ccc(N2CCCC2)cc1[O-] ZINC000748248640 923529354 /nfs/dbraw/zinc/52/93/54/923529354.db2.gz JBRMMMHFHHABBP-UHFFFAOYSA-N -1 3 375.270 3.986 20 30 GHEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000010316442 924049450 /nfs/dbraw/zinc/04/94/50/924049450.db2.gz GDTNHYJOGJVPPF-DIFFPNOSSA-N -1 3 393.513 3.956 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc3c2CCN3C(=O)OC(C)(C)C)c1[O-] ZINC000753562148 929418338 /nfs/dbraw/zinc/41/83/38/929418338.db2.gz BURYQBBIUHHXBB-UHFFFAOYSA-N -1 3 383.448 3.636 20 30 GHEDHM [O-]c1c(O)ccc(C=Nc2cc(I)ccc2Cl)c1O ZINC000757530175 929725388 /nfs/dbraw/zinc/72/53/88/929725388.db2.gz CEACMXPGKVJNJK-UHFFFAOYSA-N -1 3 389.576 3.812 20 30 GHEDHM CC[C@H](Cc1ccccc1Br)/N=C\c1c([O-])c(C)ncc1CO ZINC000759643341 930435706 /nfs/dbraw/zinc/43/57/06/930435706.db2.gz MAQJTPZTPCOYAE-IZBZYRJBSA-N -1 3 377.282 3.791 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=C2COCc3ccccc32)cc1 ZINC000782221451 931127095 /nfs/dbraw/zinc/12/70/95/931127095.db2.gz PUGDWWSMSCHZSG-UHFFFAOYSA-N -1 3 393.468 3.834 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@]1(C)Cc1ccccc1 ZINC000925441735 931784569 /nfs/dbraw/zinc/78/45/69/931784569.db2.gz UHSVZZVMVLNKGU-JOCHJYFZSA-N -1 3 395.528 3.743 20 30 GHEDHM C=CC[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573319750 947334150 /nfs/dbraw/zinc/33/41/50/947334150.db2.gz QAVNLXIJLJNTEP-QGZVFWFLSA-N -1 3 377.448 3.952 20 30 GHEDHM C=CC[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573319750 947334166 /nfs/dbraw/zinc/33/41/66/947334166.db2.gz QAVNLXIJLJNTEP-QGZVFWFLSA-N -1 3 377.448 3.952 20 30 GHEDHM C=CCC[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001573333644 947439271 /nfs/dbraw/zinc/43/92/71/947439271.db2.gz CGFLACAHPGOSRR-MRXNPFEDSA-N -1 3 393.447 3.610 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(-c2ccccc2)ccn1 ZINC001573341815 947536409 /nfs/dbraw/zinc/53/64/09/947536409.db2.gz QTHGNSAJOGOROK-UHFFFAOYSA-N -1 3 396.454 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(-c2ccccc2)ccn1 ZINC001573341815 947536417 /nfs/dbraw/zinc/53/64/17/947536417.db2.gz QTHGNSAJOGOROK-UHFFFAOYSA-N -1 3 396.454 3.757 20 30 GHEDHM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC001603609803 973877631 /nfs/dbraw/zinc/87/76/31/973877631.db2.gz NZQONQCEXIAVMW-XMSQKQJNSA-N -1 3 385.508 3.515 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)C=Cc3ccc(F)cc3)c2)n1 ZINC001625885967 1014315104 /nfs/dbraw/zinc/31/51/04/1014315104.db2.gz YVKKSMHUSJFHEO-FLIBITNWSA-N -1 3 391.402 3.772 20 30 GHEDHM C=CCC[C@@H](NCC(=O)N[C@H](C(=O)[O-])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC001588779031 984164163 /nfs/dbraw/zinc/16/41/63/984164163.db2.gz QSLGJOKFDPLSOE-WBVHZDCISA-N -1 3 386.414 3.528 20 30 GHEDHM COc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc(OC)c1[O-] ZINC000545856698 1016527494 /nfs/dbraw/zinc/52/74/94/1016527494.db2.gz HECWISOVWZLXNF-GFCCVEGCSA-N -1 3 381.215 3.711 20 30 GHEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1 ZINC001228134416 1032802803 /nfs/dbraw/zinc/80/28/03/1032802803.db2.gz PUYCUEMGIXPGRM-LSDHHAIUSA-N -1 3 388.464 3.828 20 30 GHEDHM C#CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000155809761 1019555318 /nfs/dbraw/zinc/55/53/18/1019555318.db2.gz PHCLNXTYHOZOOQ-UHFFFAOYSA-N -1 3 384.501 3.638 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)(F)F)c2)ccc1F ZINC000189398130 1020444596 /nfs/dbraw/zinc/44/45/96/1020444596.db2.gz FUXYDXHISQFWOK-UHFFFAOYSA-N -1 3 398.406 3.654 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2cc(Br)ccc2F)c1[O-] ZINC000754684936 1022829950 /nfs/dbraw/zinc/82/99/50/1022829950.db2.gz CSQUOVVCWFUYJC-ZICXGBCOSA-N -1 3 381.245 3.540 20 30 GHEDHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001141435281 1025045920 /nfs/dbraw/zinc/04/59/20/1025045920.db2.gz IMEHPTNIEZUJQD-LLVKDONJSA-N -1 3 375.222 3.741 20 30 GHEDHM CCOc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc2c1CCCC2 ZINC001163765606 1026309383 /nfs/dbraw/zinc/30/93/83/1026309383.db2.gz IGJLLURQPCBBGN-UHFFFAOYSA-N -1 3 396.369 3.901 20 30 GHEDHM Cc1ccc(S(C)(=O)=O)cc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163769399 1026310693 /nfs/dbraw/zinc/31/06/93/1026310693.db2.gz ZAAKPCIOOBSMLX-UHFFFAOYSA-N -1 3 388.367 3.545 20 30 GHEDHM N#Cc1cccc(-c2cc(C(F)(F)F)cnc2NCCCc2c[n-][nH]c2=O)c1 ZINC001164375572 1026498559 /nfs/dbraw/zinc/49/85/59/1026498559.db2.gz UVBQAHJLXYMWBA-AWEZNQCLSA-N -1 3 387.365 3.563 20 30 GHEDHM CCOC(=O)C1CCN(c2cccc(F)c2Nc2ccc([O-])c(C#N)c2)CC1 ZINC001210534721 1027548610 /nfs/dbraw/zinc/54/86/10/1027548610.db2.gz QABTYWRBBRIXTA-UHFFFAOYSA-N -1 3 383.423 3.926 20 30 GHEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000840711214 1027749830 /nfs/dbraw/zinc/74/98/30/1027749830.db2.gz XFBXNNWUAHAXBD-FMRLYGOUSA-N -1 3 387.277 3.940 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1cc2cccnc2s1 ZINC001149534323 1030212812 /nfs/dbraw/zinc/21/28/12/1030212812.db2.gz CKIIUFUPOAHQAK-UHFFFAOYSA-N -1 3 381.335 3.761 20 30 GHEDHM C=C(Cl)C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)OCC ZINC001151573854 1030945680 /nfs/dbraw/zinc/94/56/80/1030945680.db2.gz MDVPKAZARXPUMB-QGZVFWFLSA-N -1 3 389.835 3.989 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c[nH]c3c2cccc3C)c(C)c1[O-] ZINC001151955876 1031061331 /nfs/dbraw/zinc/06/13/31/1031061331.db2.gz UACRBBCBGPCHJP-UHFFFAOYSA-N -1 3 377.400 3.791 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)cc3cccnc32)c(C)c1[O-] ZINC001154200395 1031982147 /nfs/dbraw/zinc/98/21/47/1031982147.db2.gz ZFXDTKBHYZJYRC-UHFFFAOYSA-N -1 3 389.411 3.858 20 30 GHEDHM O=C(c1ccc(N2CCOC2=O)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785288 1035301520 /nfs/dbraw/zinc/30/15/20/1035301520.db2.gz SXVSWGLPECYLLJ-UHFFFAOYSA-N -1 3 381.215 3.982 20 30 GHEDHM CCN1C(=O)C[C@H](C(=O)N([O-])Cc2ccccc2Cl)[C@@H]1c1cccc(C)c1 ZINC001161807517 1035306594 /nfs/dbraw/zinc/30/65/94/1035306594.db2.gz JMLLEPSPCULGFV-PXNSSMCTSA-N -1 3 386.879 3.976 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(F)c(Br)c1 ZINC001209595291 1035322590 /nfs/dbraw/zinc/32/25/90/1035322590.db2.gz WRSQJMLQXDZQMD-MRVPVSSYSA-N -1 3 389.271 3.561 20 30 GHEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3c(F)ccc([O-])c3F)CC2)C1 ZINC001233393415 1039224267 /nfs/dbraw/zinc/22/42/67/1039224267.db2.gz SWOSNFQONCVUNU-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3CCOc4ccc(Br)cc43)c12 ZINC001234510426 1040088106 /nfs/dbraw/zinc/08/81/06/1040088106.db2.gz AKLRNAVAPGMDCD-HNNXBMFYSA-N -1 3 398.216 3.872 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)c12 ZINC001234513673 1040091353 /nfs/dbraw/zinc/09/13/53/1040091353.db2.gz NOKPGRLIJOHVCA-CQSZACIVSA-N -1 3 390.277 3.798 20 30 GHEDHM C[C@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234752878 1040282556 /nfs/dbraw/zinc/28/25/56/1040282556.db2.gz JZZMGFBLMVXIGH-LLVKDONJSA-N -1 3 384.460 3.711 20 30 GHEDHM C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236683067 1041829678 /nfs/dbraw/zinc/82/96/78/1041829678.db2.gz GHANPUWZDCCQRA-LJQANCHMSA-N -1 3 393.325 3.688 20 30 GHEDHM CCCCCc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCNC3)cc1 ZINC001237480081 1042227135 /nfs/dbraw/zinc/22/71/35/1042227135.db2.gz UYLWMRYLDLXZIW-UHFFFAOYSA-N -1 3 389.546 3.799 20 30 GHEDHM C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cc(Cl)nc(Cl)c1[O-])C2 ZINC001237521854 1042248625 /nfs/dbraw/zinc/24/86/25/1042248625.db2.gz VIMMNCNYPUNSDJ-KBXCAEBGSA-N -1 3 387.307 3.668 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]CCOc1ccc(C(F)(F)F)cc1 ZINC001291635013 1043366329 /nfs/dbraw/zinc/36/63/29/1043366329.db2.gz NEACFWLQIHJDCV-UHFFFAOYSA-N -1 3 384.304 3.864 20 30 GHEDHM N#Cc1ccccc1OCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257293070 1043959262 /nfs/dbraw/zinc/95/92/62/1043959262.db2.gz FRNUXFYIPXYKPJ-UHFFFAOYSA-N -1 3 385.272 3.612 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1N1CCCCC1 ZINC001259396680 1045120029 /nfs/dbraw/zinc/12/00/29/1045120029.db2.gz RTHRCRJZJWFNFN-UHFFFAOYSA-N -1 3 398.513 3.959 20 30 GHEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cc(Br)c(Cl)s2)c1 ZINC001260495298 1045516610 /nfs/dbraw/zinc/51/66/10/1045516610.db2.gz XHJDGKGUYCEHLX-UHFFFAOYSA-N -1 3 397.728 3.576 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2F)cc1Cl ZINC001260973413 1045791529 /nfs/dbraw/zinc/79/15/29/1045791529.db2.gz PRLYODAYNXSYJA-UHFFFAOYSA-N -1 3 375.208 3.814 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1F ZINC001261009882 1045827411 /nfs/dbraw/zinc/82/74/11/1045827411.db2.gz CZARZGUUCPOJRF-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM Cc1cc(N2C[C@H](C(=O)N([O-])CCCCc3ccccc3)CC2=O)ccc1F ZINC001306896056 1048949932 /nfs/dbraw/zinc/94/99/32/1048949932.db2.gz IRLYZUSWRPCVNJ-GOSISDBHSA-N -1 3 384.451 3.728 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)sc1Br ZINC001309675935 1050913586 /nfs/dbraw/zinc/91/35/86/1050913586.db2.gz RIXGVWFIOYHEHB-UHFFFAOYSA-N -1 3 399.335 3.904 20 30 GHEDHM C=CCC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001336759395 1052324681 /nfs/dbraw/zinc/32/46/81/1052324681.db2.gz NBIZIORZYXRKJA-CQSZACIVSA-N -1 3 391.468 3.525 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc(C)c1OC(F)F ZINC001343330066 1053708196 /nfs/dbraw/zinc/70/81/96/1053708196.db2.gz HWQNRCXWOKHCCD-AWEZNQCLSA-N -1 3 382.370 3.920 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCO2)c1[O-] ZINC001343340134 1053713914 /nfs/dbraw/zinc/71/39/14/1053713914.db2.gz GJWQDFMSGLPBCZ-AEFFLSMTSA-N -1 3 395.507 3.544 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(SC(C)(C)C)c2)cc1 ZINC001343462770 1053786229 /nfs/dbraw/zinc/78/62/29/1053786229.db2.gz KGMVVVKJBTZFJN-INIZCTEOSA-N -1 3 383.473 3.942 20 30 GHEDHM CC(C)n1ncc2c1nc(-c1cccs1)cc2C([O-])=C(C#N)c1nccn1C ZINC001343705046 1053979212 /nfs/dbraw/zinc/97/92/12/1053979212.db2.gz NORHDZAOKWJPEA-AWEZNQCLSA-N -1 3 390.472 3.964 20 30 GHEDHM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(CN2CCCCC2)o1)c1ccccc1 ZINC001345886831 1055312785 /nfs/dbraw/zinc/31/27/85/1055312785.db2.gz HUDDWSLHXHIBCP-VQTJNVASSA-N -1 3 393.487 3.855 20 30 GHEDHM Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC001323916674 1057035131 /nfs/dbraw/zinc/03/51/31/1057035131.db2.gz RYKWMRKTGBDHRR-UHFFFAOYSA-N -1 3 393.403 3.636 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC001355958887 1057333703 /nfs/dbraw/zinc/33/37/03/1057333703.db2.gz UUWNCIKDHXGTAN-SFHVURJKSA-N -1 3 390.491 3.537 20 30 GHEDHM C=CCN(C(=O)c1cc(CC)ccc1[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC001447732136 1060014631 /nfs/dbraw/zinc/01/46/31/1060014631.db2.gz VQPXGLFBMWBUSG-HXUWFJFHSA-N -1 3 381.472 3.757 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC001450273798 1060569714 /nfs/dbraw/zinc/56/97/14/1060569714.db2.gz TYRKBHNAUMIHFZ-OAHLLOKOSA-N -1 3 394.855 3.740 20 30 GHEDHM C=CCOc1ccc(Br)cc1NC(=O)c1cccc(OC)c1[O-] ZINC001451179291 1060747227 /nfs/dbraw/zinc/74/72/27/1060747227.db2.gz NOKIBVFMBDIKJG-UHFFFAOYSA-N -1 3 378.222 3.980 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC001342084819 1061047162 /nfs/dbraw/zinc/04/71/62/1061047162.db2.gz FBTKGVFAHHMWKW-INIZCTEOSA-N -1 3 399.426 3.704 20 30 GHEDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](C#N)C1 ZINC001347311121 1062289773 /nfs/dbraw/zinc/28/97/73/1062289773.db2.gz XCNQFRIEMZLYQE-ZDUSSCGKSA-N -1 3 382.493 3.656 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)c1ccc(Cl)cc1F ZINC001463684622 1064548718 /nfs/dbraw/zinc/54/87/18/1064548718.db2.gz NXFLBSCZSAIPFB-LBPRGKRZSA-N -1 3 393.654 3.834 20 30 GHEDHM N#CC1(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCCC1 ZINC001464005894 1064765491 /nfs/dbraw/zinc/76/54/91/1064765491.db2.gz UEHMLRPCWVDJCC-UHFFFAOYSA-N -1 3 381.910 3.826 20 30 GHEDHM C=CCCSCC[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001464033563 1064779975 /nfs/dbraw/zinc/77/99/75/1064779975.db2.gz DRTKUIDLBCPVLX-UHFFFAOYSA-N -1 3 398.775 3.999 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c2)n1 ZINC001464244131 1064924450 /nfs/dbraw/zinc/92/44/50/1064924450.db2.gz YYAKEANERGCNOF-UHFFFAOYSA-N -1 3 380.354 3.814 20 30 GHEDHM CC(C)Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(C#N)CC1 ZINC001358176935 1067429048 /nfs/dbraw/zinc/42/90/48/1067429048.db2.gz CGLZGYNPSGOSJZ-UHFFFAOYSA-N -1 3 387.915 3.818 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001472619814 1073579435 /nfs/dbraw/zinc/57/94/35/1073579435.db2.gz GQOBHKIWDPXNFN-UHFFFAOYSA-N -1 3 376.497 3.874 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000018212646 207095479 /nfs/dbraw/zinc/09/54/79/207095479.db2.gz CNBSXPOSEGIJMW-HNNXBMFYSA-N -1 3 377.488 3.552 20 30 GHEDHM N#Cc1cc(NC(=O)CCSc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737705530 598917081 /nfs/dbraw/zinc/91/70/81/598917081.db2.gz QFJGXCSKTPEECT-UHFFFAOYSA-N -1 3 384.852 3.513 20 30 GHEDHM N#Cc1cc(NC(=O)CCSc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000737705530 598917082 /nfs/dbraw/zinc/91/70/82/598917082.db2.gz QFJGXCSKTPEECT-UHFFFAOYSA-N -1 3 384.852 3.513 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737709349 598920161 /nfs/dbraw/zinc/92/01/61/598920161.db2.gz NKVABBUNJHVUCM-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737709349 598920163 /nfs/dbraw/zinc/92/01/63/598920163.db2.gz NKVABBUNJHVUCM-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000735419948 599147154 /nfs/dbraw/zinc/14/71/54/599147154.db2.gz KUWIFJFZNXVCEA-IRXDYDNUSA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000735419948 599147159 /nfs/dbraw/zinc/14/71/59/599147159.db2.gz KUWIFJFZNXVCEA-IRXDYDNUSA-N -1 3 382.512 3.781 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(N3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000737080800 599153616 /nfs/dbraw/zinc/15/36/16/599153616.db2.gz HNGGYXMGJVAHQJ-WZUFQYTHSA-N -1 3 389.459 3.762 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000737080800 599153618 /nfs/dbraw/zinc/15/36/18/599153618.db2.gz HNGGYXMGJVAHQJ-WZUFQYTHSA-N -1 3 389.459 3.762 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C)c(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737331267 599158401 /nfs/dbraw/zinc/15/84/01/599158401.db2.gz XNZMHFAKXNHCQG-YHYXMXQVSA-N -1 3 388.406 3.704 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737697123 599170135 /nfs/dbraw/zinc/17/01/35/599170135.db2.gz CSYBQQWBIICMDJ-UHFFFAOYSA-N -1 3 375.816 3.854 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737697123 599170139 /nfs/dbraw/zinc/17/01/39/599170139.db2.gz CSYBQQWBIICMDJ-UHFFFAOYSA-N -1 3 375.816 3.854 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819740087 599217607 /nfs/dbraw/zinc/21/76/07/599217607.db2.gz NZVWNUVZTFBAMC-CYBMUJFWSA-N -1 3 397.410 3.718 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819740087 599217610 /nfs/dbraw/zinc/21/76/10/599217610.db2.gz NZVWNUVZTFBAMC-CYBMUJFWSA-N -1 3 397.410 3.718 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1cccc(OCC)c1 ZINC000819745591 599225050 /nfs/dbraw/zinc/22/50/50/599225050.db2.gz KZUVSHGMDHQEOK-UHFFFAOYSA-N -1 3 394.504 3.650 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1cccc(OCC)c1 ZINC000819745591 599225053 /nfs/dbraw/zinc/22/50/53/599225053.db2.gz KZUVSHGMDHQEOK-UHFFFAOYSA-N -1 3 394.504 3.650 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(Cl)ccc1OCC#N ZINC000735426604 599232493 /nfs/dbraw/zinc/23/24/93/599232493.db2.gz SRHVCWQSJDYGPM-UHFFFAOYSA-N -1 3 394.866 3.611 20 30 GHEDHM C[C@H](C#N)COC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819856677 607323007 /nfs/dbraw/zinc/32/30/07/607323007.db2.gz KKAUIVLGPOXVLR-LLVKDONJSA-N -1 3 383.795 3.629 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2c(c1)CCO2 ZINC000735450837 598313699 /nfs/dbraw/zinc/31/36/99/598313699.db2.gz FPVBBSZIDPDZGI-UHFFFAOYSA-N -1 3 388.353 3.657 20 30 GHEDHM N#CCCSc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737693830 598495597 /nfs/dbraw/zinc/49/55/97/598495597.db2.gz KJVFHCRRNHQJJW-UHFFFAOYSA-N -1 3 396.501 3.603 20 30 GHEDHM N#CCCSc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737693830 598495599 /nfs/dbraw/zinc/49/55/99/598495599.db2.gz KJVFHCRRNHQJJW-UHFFFAOYSA-N -1 3 396.501 3.603 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000737674228 598536701 /nfs/dbraw/zinc/53/67/01/598536701.db2.gz GZDVUYVDZJHMAS-WHLNPGIBSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000737674228 598536703 /nfs/dbraw/zinc/53/67/03/598536703.db2.gz GZDVUYVDZJHMAS-WHLNPGIBSA-N -1 3 399.241 3.568 20 30 GHEDHM Fc1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc(F)c1F ZINC000737644633 598537774 /nfs/dbraw/zinc/53/77/74/598537774.db2.gz JFDIQXVTZOAGIH-UHFFFAOYSA-N -1 3 386.259 3.749 20 30 GHEDHM Fc1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc(F)c1F ZINC000737644633 598537775 /nfs/dbraw/zinc/53/77/75/598537775.db2.gz JFDIQXVTZOAGIH-UHFFFAOYSA-N -1 3 386.259 3.749 20 30 GHEDHM N#Cc1cccc(COc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737730478 598553033 /nfs/dbraw/zinc/55/30/33/598553033.db2.gz LKJYMPCQGXLSAG-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cccc(COc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737730478 598553034 /nfs/dbraw/zinc/55/30/34/598553034.db2.gz LKJYMPCQGXLSAG-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735831001 598628508 /nfs/dbraw/zinc/62/85/08/598628508.db2.gz LGHROZJNTWLBDU-UHFFFAOYSA-N -1 3 393.426 3.568 20 30 GHEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735831001 598628509 /nfs/dbraw/zinc/62/85/09/598628509.db2.gz LGHROZJNTWLBDU-UHFFFAOYSA-N -1 3 393.426 3.568 20 30 GHEDHM C[C@@H](Nc1c(C#N)cnc2c(F)cc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137891 598769811 /nfs/dbraw/zinc/76/98/11/598769811.db2.gz MNGNQBWTWDBTAT-SNVBAGLBSA-N -1 3 377.358 3.738 20 30 GHEDHM C[C@@H](Nc1c(C#N)cnc2c(F)cc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137891 598769813 /nfs/dbraw/zinc/76/98/13/598769813.db2.gz MNGNQBWTWDBTAT-SNVBAGLBSA-N -1 3 377.358 3.738 20 30 GHEDHM C=CCC[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734060 607391285 /nfs/dbraw/zinc/39/12/85/607391285.db2.gz HIWDOERZBYPAAK-LJQANCHMSA-N -1 3 376.464 3.716 20 30 GHEDHM C=CCC[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734060 607391287 /nfs/dbraw/zinc/39/12/87/607391287.db2.gz HIWDOERZBYPAAK-LJQANCHMSA-N -1 3 376.464 3.716 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829942 607433827 /nfs/dbraw/zinc/43/38/27/607433827.db2.gz LKVPAISAFTVRFP-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829942 607433829 /nfs/dbraw/zinc/43/38/29/607433829.db2.gz LKVPAISAFTVRFP-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM CN(CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(=O)[O-] ZINC000739618228 602622329 /nfs/dbraw/zinc/62/23/29/602622329.db2.gz XTLTUJHCMLAOHH-SNVBAGLBSA-N -1 3 384.244 3.903 20 30 GHEDHM COc1ccc(Br)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826187065 607645655 /nfs/dbraw/zinc/64/56/55/607645655.db2.gz YGYDPSLXZFOEBE-TWGQIWQCSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(Br)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826187065 607645657 /nfs/dbraw/zinc/64/56/57/607645657.db2.gz YGYDPSLXZFOEBE-TWGQIWQCSA-N -1 3 385.221 3.534 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3ccccn3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826233956 607646407 /nfs/dbraw/zinc/64/64/07/607646407.db2.gz BGXJQPJEJHSBTG-KHPPLWFESA-N -1 3 396.454 3.881 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3ccccn3)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826233956 607646409 /nfs/dbraw/zinc/64/64/09/607646409.db2.gz BGXJQPJEJHSBTG-KHPPLWFESA-N -1 3 396.454 3.881 20 30 GHEDHM C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CCCC1 ZINC000819854797 606177091 /nfs/dbraw/zinc/17/70/91/606177091.db2.gz CCXXTOLGVLUXAR-WBMJQRKESA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CCCC1 ZINC000819854797 606177092 /nfs/dbraw/zinc/17/70/92/606177092.db2.gz CCXXTOLGVLUXAR-WBMJQRKESA-N -1 3 392.488 3.993 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504176 606306421 /nfs/dbraw/zinc/30/64/21/606306421.db2.gz MZOTVIVXHRCGCD-YPXALAJOSA-N -1 3 379.401 3.666 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504176 606306423 /nfs/dbraw/zinc/30/64/23/606306423.db2.gz MZOTVIVXHRCGCD-YPXALAJOSA-N -1 3 379.401 3.666 20 30 GHEDHM N#CCC1(COC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000822805767 606397166 /nfs/dbraw/zinc/39/71/66/606397166.db2.gz CKAVDSLJXWFOFL-UHFFFAOYSA-N -1 3 391.456 3.869 20 30 GHEDHM N#CCC1(COC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000822805767 606397167 /nfs/dbraw/zinc/39/71/67/606397167.db2.gz CKAVDSLJXWFOFL-UHFFFAOYSA-N -1 3 391.456 3.869 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000822832500 606536968 /nfs/dbraw/zinc/53/69/68/606536968.db2.gz BQPQCNYOJSQYLR-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000822832500 606536970 /nfs/dbraw/zinc/53/69/70/606536970.db2.gz BQPQCNYOJSQYLR-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc(C)nc1CC(C)C ZINC000819745833 606674786 /nfs/dbraw/zinc/67/47/86/606674786.db2.gz SJWPBQSVOPFBEK-UHFFFAOYSA-N -1 3 396.520 3.659 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc(C)nc1CC(C)C ZINC000819745833 606674787 /nfs/dbraw/zinc/67/47/87/606674787.db2.gz SJWPBQSVOPFBEK-UHFFFAOYSA-N -1 3 396.520 3.659 20 30 GHEDHM C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820548893 606852662 /nfs/dbraw/zinc/85/26/62/606852662.db2.gz HSBPAJVDDSARRW-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820548893 606852664 /nfs/dbraw/zinc/85/26/64/606852664.db2.gz HSBPAJVDDSARRW-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccccn1 ZINC000819765837 607019320 /nfs/dbraw/zinc/01/93/20/607019320.db2.gz SJTGUOLFYQSQGQ-CYBMUJFWSA-N -1 3 390.476 3.560 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccccn1 ZINC000819765837 607019322 /nfs/dbraw/zinc/01/93/22/607019322.db2.gz SJTGUOLFYQSQGQ-CYBMUJFWSA-N -1 3 390.476 3.560 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822815723 607035891 /nfs/dbraw/zinc/03/58/91/607035891.db2.gz YYEWDSRIAOOMJW-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822815723 607035892 /nfs/dbraw/zinc/03/58/92/607035892.db2.gz YYEWDSRIAOOMJW-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000819766019 607037580 /nfs/dbraw/zinc/03/75/80/607037580.db2.gz ULQSZQCOSSUKJM-UHFFFAOYSA-N -1 3 393.451 3.743 20 30 GHEDHM C=CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000819766019 607037581 /nfs/dbraw/zinc/03/75/81/607037581.db2.gz ULQSZQCOSSUKJM-UHFFFAOYSA-N -1 3 393.451 3.743 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccc1C#N ZINC000825829830 607787489 /nfs/dbraw/zinc/78/74/89/607787489.db2.gz JLIOFBQIRIFPDR-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccc1C#N ZINC000825829830 607787490 /nfs/dbraw/zinc/78/74/90/607787490.db2.gz JLIOFBQIRIFPDR-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000826385949 607878215 /nfs/dbraw/zinc/87/82/15/607878215.db2.gz IWQOXUMYUMSCJY-NRFANRHFSA-N -1 3 399.410 3.643 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000826385949 607878216 /nfs/dbraw/zinc/87/82/16/607878216.db2.gz IWQOXUMYUMSCJY-NRFANRHFSA-N -1 3 399.410 3.643 20 30 GHEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Br ZINC000826187131 607884236 /nfs/dbraw/zinc/88/42/36/607884236.db2.gz BCLDDHRPDSBXPY-SOFGYWHQSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Br ZINC000826187131 607884237 /nfs/dbraw/zinc/88/42/37/607884237.db2.gz BCLDDHRPDSBXPY-SOFGYWHQSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Br ZINC000826187132 607884260 /nfs/dbraw/zinc/88/42/60/607884260.db2.gz BCLDDHRPDSBXPY-VURMDHGXSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Br ZINC000826187132 607884261 /nfs/dbraw/zinc/88/42/61/607884261.db2.gz BCLDDHRPDSBXPY-VURMDHGXSA-N -1 3 385.221 3.534 20 30 GHEDHM O=C1c2ccc(Br)cc2OCCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475392 607884421 /nfs/dbraw/zinc/88/44/21/607884421.db2.gz FCEBJBCYXQBEDY-FMIVXFBMSA-N -1 3 397.232 3.678 20 30 GHEDHM O=C1c2ccc(Br)cc2OCCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475392 607884422 /nfs/dbraw/zinc/88/44/22/607884422.db2.gz FCEBJBCYXQBEDY-FMIVXFBMSA-N -1 3 397.232 3.678 20 30 GHEDHM CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823958764 608091760 /nfs/dbraw/zinc/09/17/60/608091760.db2.gz VKSDYWKOAIWHDB-UHFFFAOYSA-N -1 3 397.342 3.691 20 30 GHEDHM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(Cl)c1 ZINC000826230231 608228960 /nfs/dbraw/zinc/22/89/60/608228960.db2.gz KKGHARSSTHKCQL-ZZXKWVIFSA-N -1 3 396.863 3.786 20 30 GHEDHM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(Cl)c1 ZINC000826230231 608228962 /nfs/dbraw/zinc/22/89/62/608228962.db2.gz KKGHARSSTHKCQL-ZZXKWVIFSA-N -1 3 396.863 3.786 20 30 GHEDHM CS[C@@H](C)CCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826224378 608331890 /nfs/dbraw/zinc/33/18/90/608331890.db2.gz BRPVHELBQSUZIV-FZMZJTMJSA-N -1 3 398.517 3.698 20 30 GHEDHM CS[C@@H](C)CCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826224378 608331891 /nfs/dbraw/zinc/33/18/91/608331891.db2.gz BRPVHELBQSUZIV-FZMZJTMJSA-N -1 3 398.517 3.698 20 30 GHEDHM C=CCN(Cc1cnc(C)n1-c1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914659 608632586 /nfs/dbraw/zinc/63/25/86/608632586.db2.gz LCTIXLKMKJBNCH-UHFFFAOYSA-N -1 3 385.475 3.549 20 30 GHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475658 608878057 /nfs/dbraw/zinc/87/80/57/608878057.db2.gz MNEMWDWIKYBLIB-YRNVUSSQSA-N -1 3 377.354 3.839 20 30 GHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475658 608878058 /nfs/dbraw/zinc/87/80/58/608878058.db2.gz MNEMWDWIKYBLIB-YRNVUSSQSA-N -1 3 377.354 3.839 20 30 GHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826476056 608884366 /nfs/dbraw/zinc/88/43/66/608884366.db2.gz ZUBBAULKIRTYHA-VZUCSPMQSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476056 608884368 /nfs/dbraw/zinc/88/43/68/608884368.db2.gz ZUBBAULKIRTYHA-VZUCSPMQSA-N -1 3 385.196 3.591 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000825338526 609269860 /nfs/dbraw/zinc/26/98/60/609269860.db2.gz BSTVXVIIMQDHQQ-XBXARRHUSA-N -1 3 382.395 3.699 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000825338526 609269861 /nfs/dbraw/zinc/26/98/61/609269861.db2.gz BSTVXVIIMQDHQQ-XBXARRHUSA-N -1 3 382.395 3.699 20 30 GHEDHM CCCCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1Cl ZINC000825300675 609271259 /nfs/dbraw/zinc/27/12/59/609271259.db2.gz CMUQYCFXVZBSMQ-BQYQJAHWSA-N -1 3 388.834 3.860 20 30 GHEDHM CCCCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1Cl ZINC000825300675 609271261 /nfs/dbraw/zinc/27/12/61/609271261.db2.gz CMUQYCFXVZBSMQ-BQYQJAHWSA-N -1 3 388.834 3.860 20 30 GHEDHM Cc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826256463 609271603 /nfs/dbraw/zinc/27/16/03/609271603.db2.gz KSWZEWIWTUJEFF-DAXSKMNVSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826256463 609271605 /nfs/dbraw/zinc/27/16/05/609271605.db2.gz KSWZEWIWTUJEFF-DAXSKMNVSA-N -1 3 387.212 3.973 20 30 GHEDHM CC(=NNc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958338 609277099 /nfs/dbraw/zinc/27/70/99/609277099.db2.gz JXPIVBOJCZZPJC-UHFFFAOYSA-N -1 3 393.195 3.744 20 30 GHEDHM CC(=NNc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958338 609277101 /nfs/dbraw/zinc/27/71/01/609277101.db2.gz JXPIVBOJCZZPJC-UHFFFAOYSA-N -1 3 393.195 3.744 20 30 GHEDHM CCc1ncc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)s1 ZINC000147147558 844172050 /nfs/dbraw/zinc/17/20/50/844172050.db2.gz PUWOUPWFQWSAPI-UHFFFAOYSA-N -1 3 387.515 3.973 20 30 GHEDHM CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000121655397 844602283 /nfs/dbraw/zinc/60/22/83/844602283.db2.gz FFOWIFLGFBMDKJ-ZDUSSCGKSA-N -1 3 384.457 3.778 20 30 GHEDHM C[C@H](C(=O)[O-])[C@H](NCc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000417633432 841073007 /nfs/dbraw/zinc/07/30/07/841073007.db2.gz BFMKKBMFAIRSMN-BONVTDFDSA-N -1 3 379.279 3.934 20 30 GHEDHM [O-]c1ccc(Br)cc1C=Nc1cc(F)cc(N2CCOCC2)c1 ZINC000255305868 841387074 /nfs/dbraw/zinc/38/70/74/841387074.db2.gz GHRVIXXCOHGKPH-UHFFFAOYSA-N -1 3 379.229 3.881 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000128550771 861196611 /nfs/dbraw/zinc/19/66/11/861196611.db2.gz OQMRLJQDOWFKJJ-GOSISDBHSA-N -1 3 376.391 3.535 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000600186999 861213132 /nfs/dbraw/zinc/21/31/32/861213132.db2.gz WVBFZWZHPWFNGU-INIZCTEOSA-N -1 3 399.441 3.893 20 30 GHEDHM COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Br)c1[O-] ZINC000006580198 842672166 /nfs/dbraw/zinc/67/21/66/842672166.db2.gz OHBCYSLITCSBEJ-DUXPYHPUSA-N -1 3 391.217 3.831 20 30 GHEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccs1 ZINC000120419313 842862404 /nfs/dbraw/zinc/86/24/04/842862404.db2.gz BXWHEDAVYWQWDQ-AWEZNQCLSA-N -1 3 389.424 3.637 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000500648786 843774563 /nfs/dbraw/zinc/77/45/63/843774563.db2.gz ITJKZEWPEBSZCR-UHFFFAOYSA-N -1 3 388.399 3.735 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509780983 845390835 /nfs/dbraw/zinc/39/08/35/845390835.db2.gz GEFWTGOPDYUUGC-YGRLFVJLSA-N -1 3 383.819 3.618 20 30 GHEDHM Cc1cc2sc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc2cc1F ZINC000280228135 846339026 /nfs/dbraw/zinc/33/90/26/846339026.db2.gz OCHXJPYTRDZZCC-UHFFFAOYSA-N -1 3 384.436 3.904 20 30 GHEDHM Cc1ncc(CO)c(/C=N\C[C@@H](C)Sc2ccc(Br)cc2)c1[O-] ZINC000731562636 861714280 /nfs/dbraw/zinc/71/42/80/861714280.db2.gz DTQGYVVMDCJJIN-CZPFXKHOSA-N -1 3 395.322 3.950 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000183873449 847468613 /nfs/dbraw/zinc/46/86/13/847468613.db2.gz WMMOQKCCIKJDRJ-WZONZLPQSA-N -1 3 391.515 3.872 20 30 GHEDHM COCCn1c(C)c(C)c2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)ccc21 ZINC000503579759 847801963 /nfs/dbraw/zinc/80/19/63/847801963.db2.gz RCDAADUGCPGROM-LJQANCHMSA-N -1 3 376.460 3.801 20 30 GHEDHM COCC[S@@](=O)Cc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255562495 848886921 /nfs/dbraw/zinc/88/69/21/848886921.db2.gz WERVPCVWYWPAEI-HSZRJFAPSA-N -1 3 396.306 3.800 20 30 GHEDHM O=S(=O)(Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1)c1ccccc1 ZINC000731938087 861977741 /nfs/dbraw/zinc/97/77/41/861977741.db2.gz QZPBTNNCFJBEGP-UHFFFAOYSA-N -1 3 383.425 3.528 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(CC)cc3)no2)ccc1F ZINC000505035503 850549765 /nfs/dbraw/zinc/54/97/65/850549765.db2.gz KZYIZRFBPWTHGZ-UHFFFAOYSA-N -1 3 387.436 3.569 20 30 GHEDHM COc1cc([C@@H](C#N)NC(=O)c2ccc(C(C)C)cc2[O-])cc(OC)c1OC ZINC000436546126 852033700 /nfs/dbraw/zinc/03/37/00/852033700.db2.gz SZHKQESIVVTDMP-MRXNPFEDSA-N -1 3 384.432 3.536 20 30 GHEDHM C=CCSc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436696243 852211054 /nfs/dbraw/zinc/21/10/54/852211054.db2.gz IMCUEWHCBRERSB-UHFFFAOYSA-N -1 3 396.512 3.705 20 30 GHEDHM C=CCCn1cc(C(=O)[N-]c2c(Br)cccc2SCC)nn1 ZINC000425620133 852301936 /nfs/dbraw/zinc/30/19/36/852301936.db2.gz HPOWHWVXFLOHTE-UHFFFAOYSA-N -1 3 381.299 3.981 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000129628899 854191659 /nfs/dbraw/zinc/19/16/59/854191659.db2.gz XJBKNLNNQQCHCL-GFCCVEGCSA-N -1 3 378.171 3.863 20 30 GHEDHM Cc1ccc(-c2nc(COC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)co2)cc1 ZINC000894915781 854214054 /nfs/dbraw/zinc/21/40/54/854214054.db2.gz FPSCFLHWNSEDCF-UHFFFAOYSA-N -1 3 391.427 3.915 20 30 GHEDHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)[n-]1 ZINC000550386291 854438032 /nfs/dbraw/zinc/43/80/32/854438032.db2.gz JQVNCFRHCXFZBI-UHFFFAOYSA-N -1 3 391.383 3.726 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000056378666 854661084 /nfs/dbraw/zinc/66/10/84/854661084.db2.gz AHAIGUKTXLPOJH-UHFFFAOYSA-N -1 3 383.879 3.645 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000589195883 854742574 /nfs/dbraw/zinc/74/25/74/854742574.db2.gz QOTSELVYLYMXPL-UHFFFAOYSA-N -1 3 395.462 3.792 20 30 GHEDHM N#C[C@H](OC(=O)c1ccc(I)c([O-])c1)C1CCCCC1 ZINC000760812346 855792427 /nfs/dbraw/zinc/79/24/27/855792427.db2.gz CELZGFBABBQTON-AWEZNQCLSA-N -1 3 385.201 3.626 20 30 GHEDHM C#CCN(C(=O)c1ccccc1[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC000733112804 862724767 /nfs/dbraw/zinc/72/47/67/862724767.db2.gz SHELVBRGLLFLST-MRXNPFEDSA-N -1 3 386.245 3.754 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c(C)c1C ZINC000605074757 862763570 /nfs/dbraw/zinc/76/35/70/862763570.db2.gz ABKQMMBCVYWNGZ-UHFFFAOYSA-N -1 3 392.480 3.908 20 30 GHEDHM CCC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(C(F)(F)F)c1 ZINC000428236675 857253862 /nfs/dbraw/zinc/25/38/62/857253862.db2.gz IKDCHPHJADIRKT-AWEZNQCLSA-N -1 3 383.395 3.792 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1cccc(C(F)(F)F)c1 ZINC000509215532 862900093 /nfs/dbraw/zinc/90/00/93/862900093.db2.gz AOEVHIHBHUUKQV-KRWDZBQOSA-N -1 3 391.374 3.797 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000159670027 862925985 /nfs/dbraw/zinc/92/59/85/862925985.db2.gz IDHYFPURAXAYJC-CYBMUJFWSA-N -1 3 381.501 3.571 20 30 GHEDHM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n1 ZINC000605362528 863010162 /nfs/dbraw/zinc/01/01/62/863010162.db2.gz IHMAHZZHZMUECR-OAHLLOKOSA-N -1 3 385.427 3.864 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000115098244 858389076 /nfs/dbraw/zinc/38/90/76/858389076.db2.gz WZQSFISKQUVFDS-FQEVSTJZSA-N -1 3 385.895 3.963 20 30 GHEDHM CC[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000183830896 858826257 /nfs/dbraw/zinc/82/62/57/858826257.db2.gz MHABMDGYFNXIFI-INIZCTEOSA-N -1 3 385.489 3.526 20 30 GHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3coc(S(C)(=O)=O)c3)c(C#N)c2[C@@H]1C ZINC000593165948 858858044 /nfs/dbraw/zinc/85/80/44/858858044.db2.gz IIPGDKGKKKCOGA-NXEZZACHSA-N -1 3 378.475 3.554 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=Cc1cnc(C)s1 ZINC000112483930 859141709 /nfs/dbraw/zinc/14/17/09/859141709.db2.gz FAUCBGSAKSJZTO-IHVVCDCBSA-N -1 3 389.864 3.783 20 30 GHEDHM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3cccc4ccccc43)nn2)cc1 ZINC000128831742 859501930 /nfs/dbraw/zinc/50/19/30/859501930.db2.gz IOYPEMBAFVGNFT-IBGZPJMESA-N -1 3 395.422 3.690 20 30 GHEDHM COc1cc(C=NNc2cccc([N+](=O)[O-])c2C)cc(Br)c1[O-] ZINC000727972949 860346278 /nfs/dbraw/zinc/34/62/78/860346278.db2.gz MLIQWOXPDZMARE-UHFFFAOYSA-N -1 3 380.198 3.826 20 30 GHEDHM COc1cccc(N2CC[C@@H](/N=C\c3cc(Br)ccc3[O-])C2)c1 ZINC000728174233 860449648 /nfs/dbraw/zinc/44/96/48/860449648.db2.gz MSBMEKICFMYINP-UWOKGBPVSA-N -1 3 375.266 3.861 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000160044870 863273729 /nfs/dbraw/zinc/27/37/29/863273729.db2.gz OOCMUVSUSSTGAP-UHFFFAOYSA-N -1 3 399.494 3.822 20 30 GHEDHM C[C@H](CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccccc1 ZINC000901380205 863326395 /nfs/dbraw/zinc/32/63/95/863326395.db2.gz OTNLCBBSEBNJAN-GFCCVEGCSA-N -1 3 381.259 3.920 20 30 GHEDHM C=CC[C@@H](CC)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000281807077 863399763 /nfs/dbraw/zinc/39/97/63/863399763.db2.gz UIMFGMOQWJPJCT-LLVKDONJSA-N -1 3 396.228 3.630 20 30 GHEDHM O=S(=O)(Cc1ccccc1)Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000734749579 864419082 /nfs/dbraw/zinc/41/90/82/864419082.db2.gz HMESVBXPJZVJDR-UHFFFAOYSA-N -1 3 397.452 3.669 20 30 GHEDHM CCC(C)(C)c1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000151819915 865160859 /nfs/dbraw/zinc/16/08/59/865160859.db2.gz OEXGAOZVYBPLEY-UHFFFAOYSA-N -1 3 379.504 3.800 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000739655578 865775091 /nfs/dbraw/zinc/77/50/91/865775091.db2.gz URZBXKAOXFEOQX-UHFFFAOYSA-N -1 3 384.517 3.721 20 30 GHEDHM COC(=O)c1cc(NN=Cc2ccc(OC)c([O-])c2Br)ccc1C ZINC000793098210 881938905 /nfs/dbraw/zinc/93/89/05/881938905.db2.gz PHPGQZXAPJKAHY-UHFFFAOYSA-N -1 3 393.237 3.704 20 30 GHEDHM N#Cc1ccc(Nc2cccc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)c2)cc1 ZINC000610011200 866609524 /nfs/dbraw/zinc/60/95/24/866609524.db2.gz SWRFZAFLLBJQIY-UHFFFAOYSA-N -1 3 380.411 3.761 20 30 GHEDHM COc1ccc([C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])N2CCCCC2)cc1 ZINC000005290649 882159677 /nfs/dbraw/zinc/15/96/77/882159677.db2.gz FXKXGBYNKZFVAL-ISXGRJCASA-N -1 3 383.448 3.955 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1-c1ccccn1 ZINC000535117088 868197986 /nfs/dbraw/zinc/19/79/86/868197986.db2.gz PKYGADOWVAZFKU-INIZCTEOSA-N -1 3 383.411 3.827 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000744029697 868538711 /nfs/dbraw/zinc/53/87/11/868538711.db2.gz WDYUXUAPPRAXJN-NSHDSACASA-N -1 3 397.740 3.637 20 30 GHEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000393784705 882209337 /nfs/dbraw/zinc/20/93/37/882209337.db2.gz ARGGIGZVKACZKL-JTQLQIEISA-N -1 3 397.132 3.845 20 30 GHEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(Cl)cc3C#N)o2)cs1 ZINC000443091083 869359736 /nfs/dbraw/zinc/35/97/36/869359736.db2.gz HEBAXPRRNJHAFD-UHFFFAOYSA-N -1 3 393.877 3.715 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)CCCCOc2cccc(C#N)c2)c([O-])c1 ZINC000540028410 870242387 /nfs/dbraw/zinc/24/23/87/870242387.db2.gz XAOSYAFVSHCAKR-UHFFFAOYSA-N -1 3 382.416 3.628 20 30 GHEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001192468232 870386866 /nfs/dbraw/zinc/38/68/66/870386866.db2.gz KSYWGEHPZBKEID-MFKMUULPSA-N -1 3 393.734 3.911 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)ccc1F ZINC000775558337 870782741 /nfs/dbraw/zinc/78/27/41/870782741.db2.gz RAMCFGKHWBSBPB-UHFFFAOYSA-N -1 3 399.447 3.537 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1Cl ZINC000447264724 871286000 /nfs/dbraw/zinc/28/60/00/871286000.db2.gz NVIGGKBPGLBDNG-UHFFFAOYSA-N -1 3 394.733 3.892 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)(C)C)CC(C)(C)C)ccc1F ZINC001127662222 871610963 /nfs/dbraw/zinc/61/09/63/871610963.db2.gz BIOHJXANLOPOLZ-UHFFFAOYSA-N -1 3 398.544 3.824 20 30 GHEDHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]2C ZINC000541000048 872717237 /nfs/dbraw/zinc/71/72/37/872717237.db2.gz BXMFRHPKJKDDHV-CZUORRHYSA-N -1 3 393.487 3.751 20 30 GHEDHM CCc1ncc(S(=O)(=O)[N-]Cc2cccc(-c3ccc(C#N)s3)c2)s1 ZINC000763581103 872763350 /nfs/dbraw/zinc/76/33/50/872763350.db2.gz ZTFRRELHTDRHFX-UHFFFAOYSA-N -1 3 389.527 3.784 20 30 GHEDHM COC(=O)c1cc(F)c([N-]C(=O)c2cc(-c3cccc(C#N)c3)on2)c(C)c1F ZINC001196768091 873339138 /nfs/dbraw/zinc/33/91/38/873339138.db2.gz KZNILDBNEPCWPY-UHFFFAOYSA-N -1 3 397.337 3.839 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)OC)c(F)c2)cc1 ZINC000768763959 873534946 /nfs/dbraw/zinc/53/49/46/873534946.db2.gz SEMRCHPRYPNDBO-SFHVURJKSA-N -1 3 396.418 3.916 20 30 GHEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134128313 882748364 /nfs/dbraw/zinc/74/83/64/882748364.db2.gz IKYRPFQBFWTNFP-UHFFFAOYSA-N -1 3 380.370 3.709 20 30 GHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000464416145 873803780 /nfs/dbraw/zinc/80/37/80/873803780.db2.gz GJORONYOXJWJKL-CYBMUJFWSA-N -1 3 379.707 3.709 20 30 GHEDHM COc1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)ccc1OC(C)C ZINC000769809626 874300732 /nfs/dbraw/zinc/30/07/32/874300732.db2.gz FHSLYJRVWLFHQT-UHFFFAOYSA-N -1 3 398.467 3.529 20 30 GHEDHM Cc1ncc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(=O)[n-]1 ZINC000542386021 875483673 /nfs/dbraw/zinc/48/36/73/875483673.db2.gz DUUHBNMYBUDWGP-UHFFFAOYSA-N -1 3 394.818 3.738 20 30 GHEDHM COc1c([O-])c(/C=C2/SC(=Nc3cc(C)ccc3C)NC2=O)ccc1[N+](=O)[O-] ZINC000772176184 875733403 /nfs/dbraw/zinc/73/34/03/875733403.db2.gz JYIRHDGUMIIIJA-OQLLNIDSSA-N -1 3 399.428 3.817 20 30 GHEDHM C#CCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000785529302 876087981 /nfs/dbraw/zinc/08/79/81/876087981.db2.gz JKRIIGBYARFMQJ-UHFFFAOYSA-N -1 3 395.839 3.850 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000776273583 876136229 /nfs/dbraw/zinc/13/62/29/876136229.db2.gz IYBADNWIKZIZNA-SECBINFHSA-N -1 3 379.199 3.755 20 30 GHEDHM N#Cc1ccc(NC(=O)COC(=O)c2cc3sccc3c([O-])c2)cc1Cl ZINC000786138496 876504008 /nfs/dbraw/zinc/50/40/08/876504008.db2.gz URJOCBBFHIQSSW-UHFFFAOYSA-N -1 3 386.816 3.927 20 30 GHEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)C2CC2)s1 ZINC000451247519 877659884 /nfs/dbraw/zinc/65/98/84/877659884.db2.gz MVIUNFRDINOSLG-HNNXBMFYSA-N -1 3 381.910 3.601 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC000068145565 877990002 /nfs/dbraw/zinc/99/00/02/877990002.db2.gz RUTYUWVBVMRLQK-UHFFFAOYSA-N -1 3 387.842 3.568 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1cccc(C(F)(F)F)c1 ZINC000788844156 878378600 /nfs/dbraw/zinc/37/86/00/878378600.db2.gz QPSRXTFJMAKHRK-MRXNPFEDSA-N -1 3 394.374 3.623 20 30 GHEDHM CC(C)(CCC#N)CN1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000181075667 879670442 /nfs/dbraw/zinc/67/04/42/879670442.db2.gz UCDUPMOXFHPZOP-IAGOWNOFSA-N -1 3 399.432 3.992 20 30 GHEDHM N#Cc1ccccc1N1CCCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000791352237 880365520 /nfs/dbraw/zinc/36/55/20/880365520.db2.gz UMXYORHYRQQACU-UHFFFAOYSA-N -1 3 377.469 3.831 20 30 GHEDHM COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914892197 885119810 /nfs/dbraw/zinc/11/98/10/885119810.db2.gz UHQCJCQFTIZVHA-ZDUSSCGKSA-N -1 3 397.456 3.730 20 30 GHEDHM C#C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)(C)C ZINC000807884540 885810091 /nfs/dbraw/zinc/81/00/91/885810091.db2.gz OTJCMNMZXWTDGM-CYBMUJFWSA-N -1 3 395.684 3.722 20 30 GHEDHM Cc1nn(C)c(OCC(F)(F)F)c1C=NNc1nc2ccccc2[n-]c1=S ZINC000863128323 886883659 /nfs/dbraw/zinc/88/36/59/886883659.db2.gz KBRYQIHWLHIUML-UHFFFAOYSA-N -1 3 396.398 3.721 20 30 GHEDHM [O-]c1ccc(F)c(C=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1F ZINC000794512496 887084134 /nfs/dbraw/zinc/08/41/34/887084134.db2.gz WKXFNBDPKCCUOV-UHFFFAOYSA-N -1 3 395.291 3.987 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1 ZINC000119604613 887343624 /nfs/dbraw/zinc/34/36/24/887343624.db2.gz OMDIHEGKWLIVMU-SFHVURJKSA-N -1 3 397.500 3.688 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cccc(OC)c2OC(F)F)c(OC)cc1[O-] ZINC000763104269 887665110 /nfs/dbraw/zinc/66/51/10/887665110.db2.gz KKXMXEXDBRBGCK-FPLPWBNLSA-N -1 3 380.343 3.916 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C#N)nc(C)n3)cc2)cc1 ZINC001184501057 913278603 /nfs/dbraw/zinc/27/86/03/913278603.db2.gz SYEQKOZLYJJMSP-UHFFFAOYSA-N -1 3 380.429 3.558 20 30 GHEDHM C=C(Cl)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)C(=O)OCC ZINC001132418903 888822766 /nfs/dbraw/zinc/82/27/66/888822766.db2.gz ZEYRAHAHLJNEEX-AWEZNQCLSA-N -1 3 389.826 3.756 20 30 GHEDHM CCOc1cc(C=NNc2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000916268918 888881730 /nfs/dbraw/zinc/88/17/30/888881730.db2.gz FZCXTZJDODJCIW-UHFFFAOYSA-N -1 3 380.198 3.908 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3)n2)cc1Cl ZINC000121758304 889121441 /nfs/dbraw/zinc/12/14/41/889121441.db2.gz JNCBTSQYJDYSTR-CQSZACIVSA-N -1 3 395.802 3.965 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000811187966 889272888 /nfs/dbraw/zinc/27/28/88/889272888.db2.gz RFPWQQXGPAOHBU-HUUCEWRRSA-N -1 3 388.423 3.840 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cnn(CC2CC2)c1 ZINC000870135557 890226482 /nfs/dbraw/zinc/22/64/82/890226482.db2.gz AHFQTIVIYNFRPI-OAHLLOKOSA-N -1 3 390.415 3.569 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)s1 ZINC001212222050 891071131 /nfs/dbraw/zinc/07/11/31/891071131.db2.gz AACZEWFFMXRTDA-UHFFFAOYSA-N -1 3 391.699 3.514 20 30 GHEDHM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)o1 ZINC000917128419 891387325 /nfs/dbraw/zinc/38/73/25/891387325.db2.gz WFKWSSFPGXWHIF-UHFFFAOYSA-N -1 3 391.412 3.829 20 30 GHEDHM C#CCN(C)c1cnc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cn1 ZINC000813340031 891518890 /nfs/dbraw/zinc/51/88/90/891518890.db2.gz NRHBYYCMDAUURC-UHFFFAOYSA-N -1 3 397.438 3.559 20 30 GHEDHM Fc1ccc2c(C=Nn3c(=S)[n-]nc3[C@H]3COc4ccccc4O3)c[nH]c2c1 ZINC000917537832 892133017 /nfs/dbraw/zinc/13/30/17/892133017.db2.gz GBQXPPZRVJOJPD-QGZVFWFLSA-N -1 3 395.419 3.582 20 30 GHEDHM COc1ccc(CC2N=NC(=S)N2N=Cc2ccc3ccccc3c2[O-])cc1 ZINC000814775103 893162991 /nfs/dbraw/zinc/16/29/91/893162991.db2.gz FKGQFWVBBIBBLF-UHFFFAOYSA-N -1 3 390.468 3.907 20 30 GHEDHM COC(=O)c1cc(C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c[n-]1 ZINC000816050406 894419480 /nfs/dbraw/zinc/41/94/80/894419480.db2.gz ONOZBZLICWYPGD-UHFFFAOYSA-N -1 3 399.218 3.734 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000816758869 895052826 /nfs/dbraw/zinc/05/28/26/895052826.db2.gz ZHBSHYIJCSEPOI-INIZCTEOSA-N -1 3 393.468 3.587 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000820470737 897348646 /nfs/dbraw/zinc/34/86/46/897348646.db2.gz DYFXYRXPUMZRQQ-CQSZACIVSA-N -1 3 395.242 3.896 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000800041447 898528530 /nfs/dbraw/zinc/52/85/30/898528530.db2.gz JCOYWXAVZBPGQF-QWGSZXSUSA-N -1 3 384.354 3.999 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823899163 899290599 /nfs/dbraw/zinc/29/05/99/899290599.db2.gz OANYEDYQSYPMHK-UHFFFAOYSA-N -1 3 383.374 3.587 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823899163 899290623 /nfs/dbraw/zinc/29/06/23/899290623.db2.gz OANYEDYQSYPMHK-UHFFFAOYSA-N -1 3 383.374 3.587 20 30 GHEDHM C=CCOCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823925948 899320250 /nfs/dbraw/zinc/32/02/50/899320250.db2.gz RXDBPJBOCYOFRH-INIZCTEOSA-N -1 3 391.475 3.694 20 30 GHEDHM C=CCOCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823925948 899320262 /nfs/dbraw/zinc/32/02/62/899320262.db2.gz RXDBPJBOCYOFRH-INIZCTEOSA-N -1 3 391.475 3.694 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c(C)c1 ZINC000570982209 899699434 /nfs/dbraw/zinc/69/94/34/899699434.db2.gz QDMGFQVQXHVRDG-UHFFFAOYSA-N -1 3 395.440 3.863 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000156393495 899732850 /nfs/dbraw/zinc/73/28/50/899732850.db2.gz NTFZKNFWMWJZJW-SNVBAGLBSA-N -1 3 399.350 3.525 20 30 GHEDHM C[C@H](NC(=O)C1(C#N)CC(C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824867272 899845277 /nfs/dbraw/zinc/84/52/77/899845277.db2.gz OVOBIXBXDXMKPL-HVPFBLEYSA-N -1 3 386.459 3.651 20 30 GHEDHM C[C@H](NC(=O)C1(C#N)CC(C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824867272 899845286 /nfs/dbraw/zinc/84/52/86/899845286.db2.gz OVOBIXBXDXMKPL-HVPFBLEYSA-N -1 3 386.459 3.651 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)ccc1[O-] ZINC001186317030 914468550 /nfs/dbraw/zinc/46/85/50/914468550.db2.gz VRSCKPZMYIJPQX-QFIPXVFZSA-N -1 3 383.451 3.829 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nc(-c2ccsc2)no1 ZINC000845841032 902459218 /nfs/dbraw/zinc/45/92/18/902459218.db2.gz PAMHPHCTDDVEOG-INIZCTEOSA-N -1 3 391.452 3.740 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCN(Cc3cc(F)c([O-])cc3F)CC2)CC1 ZINC001144646725 902551057 /nfs/dbraw/zinc/55/10/57/902551057.db2.gz IIVQDZHZOBZWAT-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264490934 903135249 /nfs/dbraw/zinc/13/52/49/903135249.db2.gz DLWCKPSHAXWXBT-GFCCVEGCSA-N -1 3 399.428 3.870 20 30 GHEDHM CN(Cc1cc(C#N)cs1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000887963569 904050616 /nfs/dbraw/zinc/05/06/16/904050616.db2.gz ZHJRJOXNHVJZGS-UHFFFAOYSA-N -1 3 378.479 3.695 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(F)F)cc1F ZINC000282776167 904315888 /nfs/dbraw/zinc/31/58/88/904315888.db2.gz OJMVJRVQXYUHJN-UHFFFAOYSA-N -1 3 379.338 3.588 20 30 GHEDHM O=C([N-]CCCN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000801589722 921170871 /nfs/dbraw/zinc/17/08/71/921170871.db2.gz UUHGDHSOVCMWPD-AWEZNQCLSA-N -1 3 386.311 3.645 20 30 GHEDHM N#CC(=C([O-])c1cc2c(c(Br)c1)OCO2)c1cnc2ccccc2n1 ZINC000190996249 906516809 /nfs/dbraw/zinc/51/68/09/906516809.db2.gz MAKBPROUNWJBAI-NSHDSACASA-N -1 3 396.200 3.611 20 30 GHEDHM COC(=O)c1sc([N-]C(=O)c2c(F)cc(C#N)cc2F)nc1C1CCCC1 ZINC000182535931 907223694 /nfs/dbraw/zinc/22/36/94/907223694.db2.gz NGAKKAQIHCUVIO-UHFFFAOYSA-N -1 3 391.399 3.989 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(n2cc(Nc3cc(C#N)ccc3[O-])cn2)CC1 ZINC001175817507 907774162 /nfs/dbraw/zinc/77/41/62/907774162.db2.gz JLKSQFKXLKRAGT-UHFFFAOYSA-N -1 3 383.452 3.776 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000193398091 908330591 /nfs/dbraw/zinc/33/05/91/908330591.db2.gz UKWAKXPFQAIKKL-ZDUSSCGKSA-N -1 3 397.740 3.637 20 30 GHEDHM Cc1cc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)ccc1F ZINC000270401844 910550612 /nfs/dbraw/zinc/55/06/12/910550612.db2.gz GZCXFAZWSBTCAB-OAQYLSRUSA-N -1 3 381.451 3.923 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCc2cc(C)c(O)c(C)c2)c(C)c1[O-] ZINC001182334357 911532285 /nfs/dbraw/zinc/53/22/85/911532285.db2.gz JSFMRTATPVMLRU-UHFFFAOYSA-N -1 3 396.443 3.643 20 30 GHEDHM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000802043141 921778991 /nfs/dbraw/zinc/77/89/91/921778991.db2.gz RHUHJVFEFJOKHS-OAHLLOKOSA-N -1 3 396.809 3.934 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cc(F)c1F ZINC001189532245 916728652 /nfs/dbraw/zinc/72/86/52/916728652.db2.gz WRHQKTSGYCRETG-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1nccnc1-c1ccccc1 ZINC001191466889 918032061 /nfs/dbraw/zinc/03/20/61/918032061.db2.gz LFPLYGDYJGCKIG-UHFFFAOYSA-N -1 3 378.395 3.725 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114618616 919402992 /nfs/dbraw/zinc/40/29/92/919402992.db2.gz UNVJTFHTSKZCBP-OAHLLOKOSA-N -1 3 392.802 3.883 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000298164903 920268436 /nfs/dbraw/zinc/26/84/36/920268436.db2.gz XVAMMPQKKPINBC-UHFFFAOYSA-N -1 3 379.338 3.746 20 30 GHEDHM O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N([O-])Cc1ccc(F)cc1 ZINC000901374932 921051887 /nfs/dbraw/zinc/05/18/87/921051887.db2.gz XFMYWTQCNGPHFE-UHFFFAOYSA-N -1 3 376.281 3.532 20 30 GHEDHM Cc1noc(C)c1COc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375660 921052661 /nfs/dbraw/zinc/05/26/61/921052661.db2.gz ISTKDUBNFZYQIP-UHFFFAOYSA-N -1 3 384.407 3.970 20 30 GHEDHM O=C(c1cn(Cc2cccs2)nn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379124 921057054 /nfs/dbraw/zinc/05/70/54/921057054.db2.gz WKFOFZLSMXFLBO-UHFFFAOYSA-N -1 3 383.260 3.726 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000750393246 927599459 /nfs/dbraw/zinc/59/94/59/927599459.db2.gz YUUSNHCDCKASES-OAHLLOKOSA-N -1 3 376.803 3.758 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccccc1C1CC1 ZINC000751129899 928041852 /nfs/dbraw/zinc/04/18/52/928041852.db2.gz POTYQPDBXUJTQX-SFHVURJKSA-N -1 3 378.457 3.839 20 30 GHEDHM Cc1ccc([C@H]2C[C@@H](OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCO2)cc1 ZINC000757535538 929725484 /nfs/dbraw/zinc/72/54/84/929725484.db2.gz ZTJHGGCCZOKVNA-GHTZIAJQSA-N -1 3 394.471 3.980 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000757811534 929808737 /nfs/dbraw/zinc/80/87/37/929808737.db2.gz BHZQUBIZGNFPGN-IBGZPJMESA-N -1 3 391.471 3.771 20 30 GHEDHM CC[C@H](NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1cccc(C#N)c1[O-] ZINC000925173698 931689289 /nfs/dbraw/zinc/68/92/89/931689289.db2.gz ZFSLZMOXBLKFFI-KGLIPLIRSA-N -1 3 379.386 3.536 20 30 GHEDHM C=CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2cccs2)C1 ZINC001122907538 935025064 /nfs/dbraw/zinc/02/50/64/935025064.db2.gz JXHMXBQMQVVSND-OAHLLOKOSA-N -1 3 396.520 3.651 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(OC2CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000829748012 935855742 /nfs/dbraw/zinc/85/57/42/935855742.db2.gz AMHDBLHSDSKCEH-QGZVFWFLSA-N -1 3 396.390 3.790 20 30 GHEDHM C#CCC1(NC(=O)Nc2ccc(Oc3ccccc3)c(-c3nnn[n-]3)c2)CCC1 ZINC001573284694 946755009 /nfs/dbraw/zinc/75/50/09/946755009.db2.gz JJXGHSLYNAIALH-UHFFFAOYSA-N -1 3 388.431 3.727 20 30 GHEDHM C#CCC1(NC(=O)Nc2ccc(Oc3ccccc3)c(-c3nn[n-]n3)c2)CCC1 ZINC001573284694 946755031 /nfs/dbraw/zinc/75/50/31/946755031.db2.gz JJXGHSLYNAIALH-UHFFFAOYSA-N -1 3 388.431 3.727 20 30 GHEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@@H](C)CC2 ZINC001573290164 946898273 /nfs/dbraw/zinc/89/82/73/946898273.db2.gz FZSUEJOGUVOOTO-QWHCGFSZSA-N -1 3 391.500 3.777 20 30 GHEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@@H](C)CC2 ZINC001573290164 946898283 /nfs/dbraw/zinc/89/82/83/946898283.db2.gz FZSUEJOGUVOOTO-QWHCGFSZSA-N -1 3 391.500 3.777 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001573294889 947002009 /nfs/dbraw/zinc/00/20/09/947002009.db2.gz LVCGGFJJVCNQHO-MAUKXSAKSA-N -1 3 392.511 3.716 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001573294889 947002016 /nfs/dbraw/zinc/00/20/16/947002016.db2.gz LVCGGFJJVCNQHO-MAUKXSAKSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CC[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573319747 947335235 /nfs/dbraw/zinc/33/52/35/947335235.db2.gz QAVNLXIJLJNTEP-KRWDZBQOSA-N -1 3 377.448 3.952 20 30 GHEDHM C=CC[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573319747 947335245 /nfs/dbraw/zinc/33/52/45/947335245.db2.gz QAVNLXIJLJNTEP-KRWDZBQOSA-N -1 3 377.448 3.952 20 30 GHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC001593190933 994130066 /nfs/dbraw/zinc/13/00/66/994130066.db2.gz ZCRVHIVQACKCLX-BTYIYWSLSA-N -1 3 377.444 3.552 20 30 GHEDHM [O-]N=C(N[C@H](F)Oc1ccc(Cl)nc1)c1ccc(OC(F)(F)F)cc1 ZINC001155909102 1032785019 /nfs/dbraw/zinc/78/50/19/1032785019.db2.gz IHLALGMMOXCDMZ-ZDUSSCGKSA-N -1 3 379.697 3.691 20 30 GHEDHM CCOC(=O)c1c(C)ccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155914926 1032790822 /nfs/dbraw/zinc/79/08/22/1032790822.db2.gz ZSCUKGBPBZMQMW-UHFFFAOYSA-N -1 3 383.326 3.713 20 30 GHEDHM O=[N+]([O-])c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc2[nH]ccc21 ZINC001155914385 1032792181 /nfs/dbraw/zinc/79/21/81/1032792181.db2.gz OETAVBDGFCZJGH-UHFFFAOYSA-N -1 3 381.270 3.618 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCCCC1 ZINC000040365749 1019130471 /nfs/dbraw/zinc/13/04/71/1019130471.db2.gz NMADKRBIPVXBRT-ZDUSSCGKSA-N -1 3 391.718 3.853 20 30 GHEDHM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc12 ZINC000041556792 1019241469 /nfs/dbraw/zinc/24/14/69/1019241469.db2.gz LQDZIKMKDYMWNR-AWEZNQCLSA-N -1 3 394.385 3.820 20 30 GHEDHM CC(C)=CCSC[C@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900039389 1021297698 /nfs/dbraw/zinc/29/76/98/1021297698.db2.gz XVAUANUCLNATTH-HNNXBMFYSA-N -1 3 383.311 3.563 20 30 GHEDHM C=CC[C@@H]1[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001228688314 1033045881 /nfs/dbraw/zinc/04/58/81/1033045881.db2.gz HNMQVMYHQAYDJD-ZIAGYGMSSA-N -1 3 393.440 3.727 20 30 GHEDHM O=S(=O)(Cc1ccccc1C/N=C/c1cc(Cl)ccc1[O-])N1CCCC1 ZINC000754687789 1022831746 /nfs/dbraw/zinc/83/17/46/1022831746.db2.gz YQNIYSVBXYBWJV-FYJGNVAPSA-N -1 3 392.908 3.590 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c3ccccc3)nc21 ZINC000830532099 1023970668 /nfs/dbraw/zinc/97/06/68/1023970668.db2.gz LXXGNBLDLBPQFR-JOQOYGCGSA-N -1 3 376.416 3.693 20 30 GHEDHM COC(=O)c1cc2ncoc2c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001163769002 1026310229 /nfs/dbraw/zinc/31/02/29/1026310229.db2.gz JZPDDYROMLOHKJ-UHFFFAOYSA-N -1 3 395.293 3.761 20 30 GHEDHM O=C1C[C@H]2C[C@@H](O/C(=N\[O-])c3ccc(Cl)cc3)[C@@H](C1)N2Cc1ccccc1 ZINC001223592785 1030651890 /nfs/dbraw/zinc/65/18/90/1030651890.db2.gz FHBRPRZCYPXKRW-QVSXHITASA-N -1 3 384.863 3.867 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccnc3ccc(F)cc32)c(C)c1[O-] ZINC001153716556 1031719591 /nfs/dbraw/zinc/71/95/91/1031719591.db2.gz RSQNKVZMHABVFT-UHFFFAOYSA-N -1 3 393.374 3.689 20 30 GHEDHM N#C[C@@H](Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)CC2)c1cccc(F)c1 ZINC001226613590 1032044223 /nfs/dbraw/zinc/04/42/23/1032044223.db2.gz GZUQGXBHIFINQX-HXUWFJFHSA-N -1 3 390.418 3.523 20 30 GHEDHM N#C[C@@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1cccc(F)c1 ZINC001230185733 1033934860 /nfs/dbraw/zinc/93/48/60/1033934860.db2.gz IGKZYJKZJHBTIC-HXUWFJFHSA-N -1 3 390.418 3.523 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H](c2ccccc2)C2(O)CCC2)n1 ZINC001160536339 1034997834 /nfs/dbraw/zinc/99/78/34/1034997834.db2.gz NYZNNLCMOVTVGL-BUESGFEBSA-N -1 3 378.885 3.728 20 30 GHEDHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(O)Cc1cccc2ccccc21 ZINC001161843035 1035313638 /nfs/dbraw/zinc/31/36/38/1035313638.db2.gz XYDDEVGDYJKLOA-UHFFFAOYSA-N -1 3 380.350 3.991 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001161848351 1035314381 /nfs/dbraw/zinc/31/43/81/1035314381.db2.gz BELDKWGGXBSTHM-OAHLLOKOSA-N -1 3 380.460 3.971 20 30 GHEDHM N#CCN(Cc1ccccc1)Cc1ccc([O-])c(I)c1 ZINC001232869364 1038635511 /nfs/dbraw/zinc/63/55/11/1038635511.db2.gz BQTZNMJVNJXNNU-UHFFFAOYSA-N -1 3 378.213 3.523 20 30 GHEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ncc(C(F)(F)F)cc1F ZINC001234513702 1040091973 /nfs/dbraw/zinc/09/19/73/1040091973.db2.gz OOFKJVLFDTVKLW-MRVPVSSYSA-N -1 3 378.285 3.900 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234687772 1040219166 /nfs/dbraw/zinc/21/91/66/1040219166.db2.gz BCGQDSSVEICHQG-MRXNPFEDSA-N -1 3 383.448 3.794 20 30 GHEDHM N#Cc1cccc(OCCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC001257785684 1044170580 /nfs/dbraw/zinc/17/05/80/1044170580.db2.gz NJGCUSNSTJYGPV-UHFFFAOYSA-N -1 3 385.272 3.612 20 30 GHEDHM N#CC12CCC([N-]S(=O)(=O)c3ccc(F)cc3C(F)(F)F)(CC1)CC2 ZINC001261012172 1045832088 /nfs/dbraw/zinc/83/20/88/1045832088.db2.gz PRIDSTSOUGOJNZ-UHFFFAOYSA-N -1 3 376.375 3.739 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC001261021732 1045849962 /nfs/dbraw/zinc/84/99/62/1045849962.db2.gz XLQJDKJKLOQYHL-CQSZACIVSA-N -1 3 376.306 3.527 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)cc1Br ZINC001261039362 1045859785 /nfs/dbraw/zinc/85/97/85/1045859785.db2.gz PBUNNHIDLNMTCZ-LLVKDONJSA-N -1 3 395.278 3.886 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2sccc2[C@H]1CC ZINC001262988407 1046472709 /nfs/dbraw/zinc/47/27/09/1046472709.db2.gz ROBXYYXZZXNRQP-OAHLLOKOSA-N -1 3 382.493 3.510 20 30 GHEDHM CC1(C)CCc2sc([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C#N)c21 ZINC001289129531 1049335444 /nfs/dbraw/zinc/33/54/44/1049335444.db2.gz QEABDWPVTSOOLK-UHFFFAOYSA-N -1 3 386.389 3.912 20 30 GHEDHM CC1(c2ccc(Cl)cc2)CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1 ZINC001307739739 1049552685 /nfs/dbraw/zinc/55/26/85/1049552685.db2.gz FLTPSTNRRYIVSN-UHFFFAOYSA-N -1 3 381.867 3.514 20 30 GHEDHM C#CC[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC001344006497 1054180754 /nfs/dbraw/zinc/18/07/54/1054180754.db2.gz MHMFPGHWYYDKCX-CQSZACIVSA-N -1 3 375.421 3.504 20 30 GHEDHM N#CCOc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC001318100008 1054409522 /nfs/dbraw/zinc/40/95/22/1054409522.db2.gz XCPDGPCXHXTIRV-UHFFFAOYSA-N -1 3 394.452 3.969 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)ccc1Cl ZINC001318375381 1054597854 /nfs/dbraw/zinc/59/78/54/1054597854.db2.gz TZVVJFNAIRRNIZ-UHFFFAOYSA-N -1 3 375.812 3.942 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=NC[C@H]2CCCO2)n1N=Cc1ccccc1 ZINC001321483032 1056286226 /nfs/dbraw/zinc/28/62/26/1056286226.db2.gz WGUALSHFZPEGBC-QGZVFWFLSA-N -1 3 395.484 3.590 20 30 GHEDHM C[C@@H]1CCc2nc([N-]C(=O)c3ncsc3Br)c(C#N)cc2C1 ZINC001337759283 1058251560 /nfs/dbraw/zinc/25/15/60/1058251560.db2.gz VGWQPQFETAPPNZ-MRVPVSSYSA-N -1 3 377.267 3.549 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](c4nccs4)C3)n2C)c1[O-] ZINC001339315208 1059097533 /nfs/dbraw/zinc/09/75/33/1059097533.db2.gz CTIZFYIRKFCOPG-OAHLLOKOSA-N -1 3 381.505 3.757 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC001339855067 1059518930 /nfs/dbraw/zinc/51/89/30/1059518930.db2.gz NSAUZOVUDYKOCX-UGSOOPFHSA-N -1 3 394.454 3.662 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1 ZINC001341817207 1060907263 /nfs/dbraw/zinc/90/72/63/1060907263.db2.gz BWJPTCPTGQHUOI-LLVKDONJSA-N -1 3 378.215 3.667 20 30 GHEDHM O=C([N-]C[C@H](O)C(F)(F)C(F)(F)F)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001455196822 1062042298 /nfs/dbraw/zinc/04/22/98/1062042298.db2.gz MPDFCAPJDXPTCZ-CYNRKNSPSA-N -1 3 395.221 3.691 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccc(Cl)cn2)CC1 ZINC001347442778 1062389129 /nfs/dbraw/zinc/38/91/29/1062389129.db2.gz LUAPGSPEEOFETF-UHFFFAOYSA-N -1 3 398.894 3.663 20 30 GHEDHM O=C([C@H]1CCC(=O)N(c2cccc(F)c2)C1)N([O-])Cc1ccccc1Cl ZINC001457992697 1063491402 /nfs/dbraw/zinc/49/14/02/1063491402.db2.gz JCYOVYJAUWXFJX-AWEZNQCLSA-N -1 3 376.815 3.640 20 30 GHEDHM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001458007259 1063503386 /nfs/dbraw/zinc/50/33/86/1063503386.db2.gz HNOBZYMIUCOUJZ-KRWDZBQOSA-N -1 3 376.497 3.873 20 30 GHEDHM Cc1nn(C)c(C)c1-c1cc(C(=O)N([O-])Cc2cccc3ccccc32)[nH]n1 ZINC001458015512 1063507157 /nfs/dbraw/zinc/50/71/57/1063507157.db2.gz FDCDJZWFZKCPKS-UHFFFAOYSA-N -1 3 375.432 3.612 20 30 GHEDHM O=C(NCC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC001458019730 1063509163 /nfs/dbraw/zinc/50/91/63/1063509163.db2.gz YSHKKTALTTXVBC-UHFFFAOYSA-N -1 3 378.403 3.641 20 30 GHEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3coc4c3C(=O)NCCC4)sc2CC[C@@H]1C ZINC001436548928 1063521823 /nfs/dbraw/zinc/52/18/23/1063521823.db2.gz ZRHFRHJFSWICDF-WDEREUQCSA-N -1 3 383.473 3.827 20 30 GHEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463866568 1064679530 /nfs/dbraw/zinc/67/95/30/1064679530.db2.gz SOCKRDAVDALJDW-HNNXBMFYSA-N -1 3 380.853 3.714 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001352063172 1064802194 /nfs/dbraw/zinc/80/21/94/1064802194.db2.gz PGUFHHJIHMCBLF-KXBFYZLASA-N -1 3 390.491 3.708 20 30 GHEDHM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)N[C@H]1CCCN([O-])C1=O ZINC001464932155 1065278475 /nfs/dbraw/zinc/27/84/75/1065278475.db2.gz HWWCTNPTEOXXRZ-HNNXBMFYSA-N -1 3 375.812 3.634 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2scc3c2OCCO3)cc1 ZINC000847626284 1065783175 /nfs/dbraw/zinc/78/31/75/1065783175.db2.gz INPUOEBJDNLRJY-IUODEOHRSA-N -1 3 384.457 3.994 20 30 GHEDHM N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])cc1Br ZINC001466257534 1066059306 /nfs/dbraw/zinc/05/93/06/1066059306.db2.gz FZNBSIGEPYLRIF-UHFFFAOYSA-N -1 3 381.613 3.697 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCC(C)C)C(C)(C)C)ccc1F ZINC001353589937 1066065798 /nfs/dbraw/zinc/06/57/98/1066065798.db2.gz PSAPNBTXVITIDW-GOSISDBHSA-N -1 3 398.544 3.871 20 30 GHEDHM N#C[C@@]1(C(=O)Nc2ccc(I)cc2[O-])CC2CCC1CC2 ZINC001466818764 1066336240 /nfs/dbraw/zinc/33/62/40/1066336240.db2.gz MENHAAJNAHZWGB-PRDDCLIZSA-N -1 3 396.228 3.655 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC23CCCC3)ccc1F ZINC001460529834 1068988860 /nfs/dbraw/zinc/98/88/60/1068988860.db2.gz WFYYEDOOQBPFFT-SFHVURJKSA-N -1 3 394.512 3.523 20 30 GHEDHM COC(=O)c1cc(C(=O)N([O-])Cc2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC001472621838 1073582161 /nfs/dbraw/zinc/58/21/61/1073582161.db2.gz ABCCJKFDHOEXSK-UHFFFAOYSA-N -1 3 380.356 3.566 20 30 GHEDHM N#Cc1cc(Cl)ccc1CN[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001601086707 1126221816 /nfs/dbraw/zinc/22/18/16/1126221816.db2.gz FRQFICDPDVUWTQ-INIZCTEOSA-N -1 3 398.768 3.896 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)ccc1-c1nnn[n-]1 ZINC000737710014 598921630 /nfs/dbraw/zinc/92/16/30/598921630.db2.gz UAIPVGBLSANYGG-UHFFFAOYSA-N -1 3 398.451 3.818 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)ccc1-c1nn[n-]n1 ZINC000737710014 598921631 /nfs/dbraw/zinc/92/16/31/598921631.db2.gz UAIPVGBLSANYGG-UHFFFAOYSA-N -1 3 398.451 3.818 20 30 GHEDHM CCOCc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OC ZINC000821384347 599112312 /nfs/dbraw/zinc/11/23/12/599112312.db2.gz VZFZLVOWDJIIEJ-MHWRWJLKSA-N -1 3 390.443 3.624 20 30 GHEDHM CCOCc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OC ZINC000821384347 599112313 /nfs/dbraw/zinc/11/23/13/599112313.db2.gz VZFZLVOWDJIIEJ-MHWRWJLKSA-N -1 3 390.443 3.624 20 30 GHEDHM Cc1cccc(-c2n[nH]cc2C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822284408 599113173 /nfs/dbraw/zinc/11/31/73/599113173.db2.gz RMDMGBWGHYCBEY-LFIBNONCSA-N -1 3 382.427 3.778 20 30 GHEDHM Cc1cccc(-c2n[nH]cc2C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822284408 599113175 /nfs/dbraw/zinc/11/31/75/599113175.db2.gz RMDMGBWGHYCBEY-LFIBNONCSA-N -1 3 382.427 3.778 20 30 GHEDHM C=CCN(Cc1ncc(-c2ccccc2F)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426963 599130360 /nfs/dbraw/zinc/13/03/60/599130360.db2.gz ZXOIUELMFYESOL-UHFFFAOYSA-N -1 3 390.422 3.849 20 30 GHEDHM C=CCN(Cc1ncc(-c2ccccc2F)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426963 599130362 /nfs/dbraw/zinc/13/03/62/599130362.db2.gz ZXOIUELMFYESOL-UHFFFAOYSA-N -1 3 390.422 3.849 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2Cl)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203433 599157394 /nfs/dbraw/zinc/15/73/94/599157394.db2.gz UGARSYMTZHKDNJ-DHZHZOJOSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C)c(C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737328504 599157432 /nfs/dbraw/zinc/15/74/32/599157432.db2.gz DGOSKNLZFPJNGD-WDZFZDKYSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C)c2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737391363 599158721 /nfs/dbraw/zinc/15/87/21/599158721.db2.gz ALJTWTXSPBDCFE-FMIVXFBMSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1nn(-c2ccccc2)c(CSc2ccc(C#N)cc2F)c1-c1nnn[n-]1 ZINC000737504445 599169617 /nfs/dbraw/zinc/16/96/17/599169617.db2.gz YUTBGIAMVNBXIG-UHFFFAOYSA-N -1 3 391.435 3.664 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737717075 599195582 /nfs/dbraw/zinc/19/55/82/599195582.db2.gz YJYNKWINFSFIJI-HUUCEWRRSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737717075 599195584 /nfs/dbraw/zinc/19/55/84/599195584.db2.gz YJYNKWINFSFIJI-HUUCEWRRSA-N -1 3 399.241 3.787 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc2sccc2c1=O ZINC000735442429 599286549 /nfs/dbraw/zinc/28/65/49/599286549.db2.gz BFQOMEDEIHZSCZ-NSHDSACASA-N -1 3 396.501 3.677 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc2sccc2c1=O ZINC000735442429 599286552 /nfs/dbraw/zinc/28/65/52/599286552.db2.gz BFQOMEDEIHZSCZ-NSHDSACASA-N -1 3 396.501 3.677 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451429 598439286 /nfs/dbraw/zinc/43/92/86/598439286.db2.gz ZTCDSZZCAFPBTG-UHFFFAOYSA-N -1 3 376.342 3.644 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451429 598439288 /nfs/dbraw/zinc/43/92/88/598439288.db2.gz ZTCDSZZCAFPBTG-UHFFFAOYSA-N -1 3 376.342 3.644 20 30 GHEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H](Cc2ccccc2)c2ccccc2)nc1N ZINC000737706014 598569928 /nfs/dbraw/zinc/56/99/28/598569928.db2.gz UVSOLDNZOOTKIV-GOSISDBHSA-N -1 3 399.483 3.792 20 30 GHEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H](Cc2ccccc2)c2ccccc2)nc1N ZINC000737706014 598569929 /nfs/dbraw/zinc/56/99/29/598569929.db2.gz UVSOLDNZOOTKIV-GOSISDBHSA-N -1 3 399.483 3.792 20 30 GHEDHM N#Cc1cccc(COc2ccc(Nc3ccc(-c4nnn[n-]4)cn3)cc2F)c1 ZINC000737730108 598602592 /nfs/dbraw/zinc/60/25/92/598602592.db2.gz FWNPCSBITBINTR-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM N#Cc1cccc(COc2ccc(Nc3ccc(-c4nn[n-]n4)cn3)cc2F)c1 ZINC000737730108 598602593 /nfs/dbraw/zinc/60/25/93/598602593.db2.gz FWNPCSBITBINTR-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(OCC(C)C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202526 598641110 /nfs/dbraw/zinc/64/11/10/598641110.db2.gz NGVINTQXYQDUBX-DHZHZOJOSA-N -1 3 391.475 3.854 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(OCC(C)C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202526 598641113 /nfs/dbraw/zinc/64/11/13/598641113.db2.gz NGVINTQXYQDUBX-DHZHZOJOSA-N -1 3 391.475 3.854 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000735420257 598741273 /nfs/dbraw/zinc/74/12/73/598741273.db2.gz NRLLUSMKBATGOO-KRWDZBQOSA-N -1 3 387.487 3.577 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000735420257 598741275 /nfs/dbraw/zinc/74/12/75/598741275.db2.gz NRLLUSMKBATGOO-KRWDZBQOSA-N -1 3 387.487 3.577 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)ccc1OC ZINC000736309436 599438095 /nfs/dbraw/zinc/43/80/95/599438095.db2.gz ODZSVKFVTPNCTM-AWEZNQCLSA-N -1 3 398.854 3.822 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)ccc1OC ZINC000736309436 599438098 /nfs/dbraw/zinc/43/80/98/599438098.db2.gz ODZSVKFVTPNCTM-AWEZNQCLSA-N -1 3 398.854 3.822 20 30 GHEDHM N#CCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737698327 599562808 /nfs/dbraw/zinc/56/28/08/599562808.db2.gz XBMMBDGCVMFPKY-UHFFFAOYSA-N -1 3 395.426 3.929 20 30 GHEDHM C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819733951 607388739 /nfs/dbraw/zinc/38/87/39/607388739.db2.gz FZVCFKBGXXDJBW-BEFAXECRSA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733951 607388740 /nfs/dbraw/zinc/38/87/40/607388740.db2.gz FZVCFKBGXXDJBW-BEFAXECRSA-N -1 3 376.464 3.934 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000822923753 607460676 /nfs/dbraw/zinc/46/06/76/607460676.db2.gz SZJAUHDTFDOYCC-YVMONPNESA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000822923753 607460677 /nfs/dbraw/zinc/46/06/77/607460677.db2.gz SZJAUHDTFDOYCC-YVMONPNESA-N -1 3 392.312 3.843 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833063255 601237053 /nfs/dbraw/zinc/23/70/53/601237053.db2.gz HNQJAZPODBUVMS-UMNHJUIQSA-N -1 3 383.231 3.532 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c3ccccc3)nc21 ZINC000830532096 603452978 /nfs/dbraw/zinc/45/29/78/603452978.db2.gz LXXGNBLDLBPQFR-DDUZABMNSA-N -1 3 376.416 3.693 20 30 GHEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819866234 606102493 /nfs/dbraw/zinc/10/24/93/606102493.db2.gz LCLMBTHPRSDXJC-SECBINFHSA-N -1 3 387.230 3.787 20 30 GHEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819866234 606102495 /nfs/dbraw/zinc/10/24/95/606102495.db2.gz LCLMBTHPRSDXJC-SECBINFHSA-N -1 3 387.230 3.787 20 30 GHEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822801408 606420657 /nfs/dbraw/zinc/42/06/57/606420657.db2.gz IZCVRRPVVUWWJQ-HUUCEWRRSA-N -1 3 399.380 3.557 20 30 GHEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000822801408 606420659 /nfs/dbraw/zinc/42/06/59/606420659.db2.gz IZCVRRPVVUWWJQ-HUUCEWRRSA-N -1 3 399.380 3.557 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819709347 606506848 /nfs/dbraw/zinc/50/68/48/606506848.db2.gz DSNAROOGNPFWLT-UHFFFAOYSA-N -1 3 391.481 3.818 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819709347 606506849 /nfs/dbraw/zinc/50/68/49/606506849.db2.gz DSNAROOGNPFWLT-UHFFFAOYSA-N -1 3 391.481 3.818 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccc(F)c(C)c1 ZINC000819743836 606587383 /nfs/dbraw/zinc/58/73/83/606587383.db2.gz QSYWFLCTVIUWLJ-OAHLLOKOSA-N -1 3 394.454 3.773 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccc(F)c(C)c1 ZINC000819743836 606587385 /nfs/dbraw/zinc/58/73/85/606587385.db2.gz QSYWFLCTVIUWLJ-OAHLLOKOSA-N -1 3 394.454 3.773 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2OC(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822258832 606763890 /nfs/dbraw/zinc/76/38/90/606763890.db2.gz DMJAPSFBCRFUBN-VOTSOKGWSA-N -1 3 399.401 3.729 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2OC(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822258832 606763892 /nfs/dbraw/zinc/76/38/92/606763892.db2.gz DMJAPSFBCRFUBN-VOTSOKGWSA-N -1 3 399.401 3.729 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1F ZINC000822923330 607123075 /nfs/dbraw/zinc/12/30/75/607123075.db2.gz PVQBXAIZZCXFMC-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1F ZINC000822923330 607123076 /nfs/dbraw/zinc/12/30/76/607123076.db2.gz PVQBXAIZZCXFMC-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819742841 607199696 /nfs/dbraw/zinc/19/96/96/607199696.db2.gz AOSYJEQDLSICRP-UHFFFAOYSA-N -1 3 382.855 3.783 20 30 GHEDHM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819742841 607199697 /nfs/dbraw/zinc/19/96/97/607199697.db2.gz AOSYJEQDLSICRP-UHFFFAOYSA-N -1 3 382.855 3.783 20 30 GHEDHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000824755157 608206945 /nfs/dbraw/zinc/20/69/45/608206945.db2.gz JUZVNCUEIMMECH-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1cccc(C#N)c1 ZINC000824755157 608206946 /nfs/dbraw/zinc/20/69/46/608206946.db2.gz JUZVNCUEIMMECH-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1F)CC3 ZINC000826212669 608229051 /nfs/dbraw/zinc/22/90/51/608229051.db2.gz XROIWCILMIBSRD-WQLSENKSSA-N -1 3 389.390 3.708 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1F)CC3 ZINC000826212669 608229053 /nfs/dbraw/zinc/22/90/53/608229053.db2.gz XROIWCILMIBSRD-WQLSENKSSA-N -1 3 389.390 3.708 20 30 GHEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824385198 608259544 /nfs/dbraw/zinc/25/95/44/608259544.db2.gz NYUBWQKDXROZBR-GFCCVEGCSA-N -1 3 380.839 3.599 20 30 GHEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824385198 608259545 /nfs/dbraw/zinc/25/95/45/608259545.db2.gz NYUBWQKDXROZBR-GFCCVEGCSA-N -1 3 380.839 3.599 20 30 GHEDHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000824926705 608307293 /nfs/dbraw/zinc/30/72/93/608307293.db2.gz LGGDBXQUWUBPLR-YJBOKZPZSA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000824926705 608307294 /nfs/dbraw/zinc/30/72/94/608307294.db2.gz LGGDBXQUWUBPLR-YJBOKZPZSA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000824737317 608349971 /nfs/dbraw/zinc/34/99/71/608349971.db2.gz FBCHZQWRESFMJJ-NSHDSACASA-N -1 3 396.476 3.503 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000826400720 608878582 /nfs/dbraw/zinc/87/85/82/608878582.db2.gz GJMCMRCLIKOVPV-KRXBUXKQSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000826400720 608878585 /nfs/dbraw/zinc/87/85/85/608878585.db2.gz GJMCMRCLIKOVPV-KRXBUXKQSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1)CCC3 ZINC000826475721 608881529 /nfs/dbraw/zinc/88/15/29/608881529.db2.gz OHUWXGNZGCCBNH-OVCLIPMQSA-N -1 3 376.391 3.543 20 30 GHEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1)CCC3 ZINC000826475721 608881530 /nfs/dbraw/zinc/88/15/30/608881530.db2.gz OHUWXGNZGCCBNH-OVCLIPMQSA-N -1 3 376.391 3.543 20 30 GHEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826381370 609134067 /nfs/dbraw/zinc/13/40/67/609134067.db2.gz JEYUTUIOJUMLNH-RMKNXTFCSA-N -1 3 377.379 3.584 20 30 GHEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826381370 609134068 /nfs/dbraw/zinc/13/40/68/609134068.db2.gz JEYUTUIOJUMLNH-RMKNXTFCSA-N -1 3 377.379 3.584 20 30 GHEDHM C#Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000823861340 609310243 /nfs/dbraw/zinc/31/02/43/609310243.db2.gz FDRJHORJLIUNDW-UHFFFAOYSA-N -1 3 381.395 3.893 20 30 GHEDHM C#Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000823861340 609310244 /nfs/dbraw/zinc/31/02/44/609310244.db2.gz FDRJHORJLIUNDW-UHFFFAOYSA-N -1 3 381.395 3.893 20 30 GHEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000824324593 609478736 /nfs/dbraw/zinc/47/87/36/609478736.db2.gz QSUVVTUDMOMXLC-UHFFFAOYSA-N -1 3 391.479 3.616 20 30 GHEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000824324593 609478737 /nfs/dbraw/zinc/47/87/37/609478737.db2.gz QSUVVTUDMOMXLC-UHFFFAOYSA-N -1 3 391.479 3.616 20 30 GHEDHM CCc1cccnc1C(C)=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825728368 609517250 /nfs/dbraw/zinc/51/72/50/609517250.db2.gz NTANNHDSVBLWOA-UHFFFAOYSA-N -1 3 375.358 3.679 20 30 GHEDHM CCc1cccnc1C(C)=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825728368 609517252 /nfs/dbraw/zinc/51/72/52/609517252.db2.gz NTANNHDSVBLWOA-UHFFFAOYSA-N -1 3 375.358 3.679 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000547927957 837597166 /nfs/dbraw/zinc/59/71/66/837597166.db2.gz LNPUOBOAKVQSPB-LBPRGKRZSA-N -1 3 380.473 3.695 20 30 GHEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000510061359 834755134 /nfs/dbraw/zinc/75/51/34/834755134.db2.gz ZIZYODQJDSUSQD-GOSISDBHSA-N -1 3 390.270 3.722 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H](C)c2cccs2)CCCC1 ZINC000329868979 835159846 /nfs/dbraw/zinc/15/98/46/835159846.db2.gz YDMGZMZXSOLQLC-NSHDSACASA-N -1 3 397.522 3.662 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000097681517 835346532 /nfs/dbraw/zinc/34/65/32/835346532.db2.gz PGQQDJLRYOLJBZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000097681517 835346538 /nfs/dbraw/zinc/34/65/38/835346538.db2.gz PGQQDJLRYOLJBZ-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccc2c1=O ZINC000647374483 835507472 /nfs/dbraw/zinc/50/74/72/835507472.db2.gz DSDSWWXSGVSUOE-MRXNPFEDSA-N -1 3 392.484 3.876 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2c([O-])coc2c1 ZINC000664135129 844272895 /nfs/dbraw/zinc/27/28/95/844272895.db2.gz OVXOAKBKRBCKEP-ZDUSSCGKSA-N -1 3 382.441 3.673 20 30 GHEDHM CN(C1CCCCC1)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000046705953 838298108 /nfs/dbraw/zinc/29/81/08/838298108.db2.gz OPRFJRXTCSIGBY-IBGZPJMESA-N -1 3 397.500 3.525 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)n1 ZINC000377074655 838967272 /nfs/dbraw/zinc/96/72/72/838967272.db2.gz UTNAVVRWYOTDJF-GOSISDBHSA-N -1 3 397.438 3.604 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000050489753 840159290 /nfs/dbraw/zinc/15/92/90/840159290.db2.gz ONPWXZRSNISGST-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cc1Cl ZINC000432964784 844779837 /nfs/dbraw/zinc/77/98/37/844779837.db2.gz BTJOHTWOAFOKEG-CQSZACIVSA-N -1 3 392.761 3.775 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000513388839 845341631 /nfs/dbraw/zinc/34/16/31/845341631.db2.gz OYHDPUJCYKRDBK-UHFFFAOYSA-N -1 3 381.451 3.586 20 30 GHEDHM Cc1cccc(C2(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCCC2)c1 ZINC000072087064 846384358 /nfs/dbraw/zinc/38/43/58/846384358.db2.gz JVQCSDIEFLRZCE-UHFFFAOYSA-N -1 3 391.515 3.733 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000183906684 847536440 /nfs/dbraw/zinc/53/64/40/847536440.db2.gz IOVPNEARYCKSOW-PEBXRYMYSA-N -1 3 377.488 3.626 20 30 GHEDHM COc1ccc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)nn1 ZINC000120187925 848525249 /nfs/dbraw/zinc/52/52/49/848525249.db2.gz PAORHDJADVAXPJ-UHFFFAOYSA-N -1 3 382.367 3.762 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1Cl ZINC000435141487 850139926 /nfs/dbraw/zinc/13/99/26/850139926.db2.gz PEZABBOSAPKEIK-UHFFFAOYSA-N -1 3 380.853 3.808 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(-c2ccccc2)cs1 ZINC000435445065 850535702 /nfs/dbraw/zinc/53/57/02/850535702.db2.gz URTDKGLNAICGLE-LLVKDONJSA-N -1 3 375.500 3.783 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1C#N ZINC000435714295 850799573 /nfs/dbraw/zinc/79/95/73/850799573.db2.gz JQHCVNVKBQDSCU-UHFFFAOYSA-N -1 3 389.440 3.606 20 30 GHEDHM N#Cc1ccc(CSc2ccccc2C(=O)NCc2ncccc2[O-])cc1 ZINC000473642715 851347077 /nfs/dbraw/zinc/34/70/77/851347077.db2.gz QGFAUUMCIOSMHR-UHFFFAOYSA-N -1 3 375.453 3.881 20 30 GHEDHM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000911311003 851687097 /nfs/dbraw/zinc/68/70/97/851687097.db2.gz VTGYAPIWBQBUGI-NSHDSACASA-N -1 3 390.365 3.633 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)sc1Br ZINC000542517094 884050598 /nfs/dbraw/zinc/05/05/98/884050598.db2.gz HETVRWXROBRAQR-TVQRCGJNSA-N -1 3 377.329 3.570 20 30 GHEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OCCCC#N ZINC000426763877 852348431 /nfs/dbraw/zinc/34/84/31/852348431.db2.gz UIPCGTSCEBNDER-OAQYLSRUSA-N -1 3 382.460 3.910 20 30 GHEDHM C=CCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000426800851 852411340 /nfs/dbraw/zinc/41/13/40/852411340.db2.gz PLKAXAYYWYWNMY-KRWDZBQOSA-N -1 3 376.250 3.929 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000489511241 852420603 /nfs/dbraw/zinc/42/06/03/852420603.db2.gz ISTSURXRCZCAGW-LLVKDONJSA-N -1 3 393.387 3.602 20 30 GHEDHM C=C(C)COc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c1 ZINC000427191753 852842418 /nfs/dbraw/zinc/84/24/18/852842418.db2.gz ISJYADFYWCKZGW-UHFFFAOYSA-N -1 3 381.494 3.507 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000126593952 852938703 /nfs/dbraw/zinc/93/87/03/852938703.db2.gz OORKPGVZLVYSOH-CQSZACIVSA-N -1 3 391.355 3.871 20 30 GHEDHM O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389642 853051173 /nfs/dbraw/zinc/05/11/73/853051173.db2.gz BYBNAXZMMGOQOI-MRVPVSSYSA-N -1 3 391.762 3.568 20 30 GHEDHM O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389642 853051175 /nfs/dbraw/zinc/05/11/75/853051175.db2.gz BYBNAXZMMGOQOI-MRVPVSSYSA-N -1 3 391.762 3.568 20 30 GHEDHM COC(=O)COc1c(C)cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1C ZINC000437386515 853084522 /nfs/dbraw/zinc/08/45/22/853084522.db2.gz PDKQMIDDUGXSFO-HNNXBMFYSA-N -1 3 394.452 3.955 20 30 GHEDHM C=C[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000428048618 854240326 /nfs/dbraw/zinc/24/03/26/854240326.db2.gz JZCYHKCAHSHDPU-OAHLLOKOSA-N -1 3 385.489 3.519 20 30 GHEDHM C#Cc1cccc(C[N-]S(=O)(=O)c2oc3ccccc3c2Br)c1 ZINC001212158401 854853905 /nfs/dbraw/zinc/85/39/05/854853905.db2.gz RHFWAVYPYCUXJF-UHFFFAOYSA-N -1 3 390.258 3.655 20 30 GHEDHM Cc1ccc(NC(=O)CC2(C#N)CC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000590648941 855531972 /nfs/dbraw/zinc/53/19/72/855531972.db2.gz HPLXONUZYGLPNQ-UHFFFAOYSA-N -1 3 387.436 3.567 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000482204552 862804040 /nfs/dbraw/zinc/80/40/40/862804040.db2.gz DSWVBPJGINVULH-BBRMVZONSA-N -1 3 383.414 3.693 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2cccs2)CCCCC1 ZINC000153885569 856738268 /nfs/dbraw/zinc/73/82/68/856738268.db2.gz FGRZDEPVVZMUGL-UHFFFAOYSA-N -1 3 397.544 3.876 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000172782980 857167336 /nfs/dbraw/zinc/16/73/36/857167336.db2.gz CHUMWDFISXKPSE-RNODOKPDSA-N -1 3 381.451 3.545 20 30 GHEDHM C=CCN(CCc1ccco1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907249174 857554430 /nfs/dbraw/zinc/55/44/30/857554430.db2.gz FMIHHQDRBUOYFL-UHFFFAOYSA-N -1 3 377.466 3.954 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)cc1C ZINC000442238162 857642183 /nfs/dbraw/zinc/64/21/83/857642183.db2.gz IAULTHOFFAKGGF-UHFFFAOYSA-N -1 3 386.351 3.575 20 30 GHEDHM C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000160467360 858934375 /nfs/dbraw/zinc/93/43/75/858934375.db2.gz DALXIDJHZOOCGS-HXUWFJFHSA-N -1 3 393.487 3.567 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000499703187 859101990 /nfs/dbraw/zinc/10/19/90/859101990.db2.gz FVGHTUIZWWKCNA-NSHDSACASA-N -1 3 382.354 3.681 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)Cc2ccc(F)c(Br)c2)c1[O-] ZINC000764414306 859444099 /nfs/dbraw/zinc/44/40/99/859444099.db2.gz QKLSYQHTFCGREN-OTWRLEFPSA-N -1 3 381.245 3.540 20 30 GHEDHM CCCCc1nc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C(=O)OCC)[n-]1 ZINC000484064311 859793844 /nfs/dbraw/zinc/79/38/44/859793844.db2.gz BECHGWAYPTXCOR-UHFFFAOYSA-N -1 3 382.464 3.982 20 30 GHEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000484355929 859971472 /nfs/dbraw/zinc/97/14/72/859971472.db2.gz YRVMUHVVMXYHRL-INIZCTEOSA-N -1 3 399.516 3.726 20 30 GHEDHM CC(C)(C)OC(=O)N(CC/N=C/c1cc(Br)ccc1[O-])C1CC1 ZINC000727265429 860020450 /nfs/dbraw/zinc/02/04/50/860020450.db2.gz PEVQUOMPGIANSO-YBFXNURJSA-N -1 3 383.286 3.973 20 30 GHEDHM CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904175099 860204842 /nfs/dbraw/zinc/20/48/42/860204842.db2.gz OAMDJNNOQVYNNS-UHFFFAOYSA-N -1 3 399.466 3.508 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000593536567 860246293 /nfs/dbraw/zinc/24/62/93/860246293.db2.gz DKCACWTVEYWVOF-SNVBAGLBSA-N -1 3 390.408 3.600 20 30 GHEDHM N#CCC[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000603040674 860452453 /nfs/dbraw/zinc/45/24/53/860452453.db2.gz BANQTCVFDDIUTM-ZDUSSCGKSA-N -1 3 385.777 3.687 20 30 GHEDHM O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc2n[n-]nc21 ZINC000669695265 861076426 /nfs/dbraw/zinc/07/64/26/861076426.db2.gz PDJMFAVXURISNH-RNFRBKRXSA-N -1 3 398.282 3.736 20 30 GHEDHM CC(C)c1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC2 ZINC000494375954 881652136 /nfs/dbraw/zinc/65/21/36/881652136.db2.gz HKEKDEYQPVBQFI-QGZVFWFLSA-N -1 3 385.445 3.556 20 30 GHEDHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000606714609 863796617 /nfs/dbraw/zinc/79/66/17/863796617.db2.gz NDVWSILESINSJY-NXEZZACHSA-N -1 3 388.283 3.804 20 30 GHEDHM COc1cc(COC(=O)c2cncc([O-])c2)ccc1OCc1cccc(C#N)c1 ZINC000735144051 864660737 /nfs/dbraw/zinc/66/07/37/864660737.db2.gz NSPZPRFEWMNSHB-UHFFFAOYSA-N -1 3 390.395 3.603 20 30 GHEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)NC1=O ZINC000171567395 865297014 /nfs/dbraw/zinc/29/70/14/865297014.db2.gz SAZONKYYABVYIN-ZYHUDNBSSA-N -1 3 396.353 3.641 20 30 GHEDHM N#Cc1ccc(-c2cccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)s1 ZINC000739976045 865817752 /nfs/dbraw/zinc/81/77/52/865817752.db2.gz JLBPLELYLOOGRA-UHFFFAOYSA-N -1 3 399.453 3.673 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C(C)(C)C)n2)c1 ZINC000127189153 866044772 /nfs/dbraw/zinc/04/47/72/866044772.db2.gz JYVUMHGRLROCDK-MRXNPFEDSA-N -1 3 382.464 3.731 20 30 GHEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1cccc(OCCCC#N)c1)c2=O ZINC000121122271 881936776 /nfs/dbraw/zinc/93/67/76/881936776.db2.gz QNJFDDKQVREJPM-UHFFFAOYSA-N -1 3 379.391 3.911 20 30 GHEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000920382814 882075979 /nfs/dbraw/zinc/07/59/79/882075979.db2.gz AHDOGOFPSSJIEM-UHFFFAOYSA-N -1 3 381.295 3.683 20 30 GHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000534800171 867535520 /nfs/dbraw/zinc/53/55/20/867535520.db2.gz XMYCZVXWOGVFGP-UHFFFAOYSA-N -1 3 379.345 3.960 20 30 GHEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000393784707 882209305 /nfs/dbraw/zinc/20/93/05/882209305.db2.gz ARGGIGZVKACZKL-SNVBAGLBSA-N -1 3 397.132 3.845 20 30 GHEDHM N#Cc1cccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)c1 ZINC000445983618 869234648 /nfs/dbraw/zinc/23/46/48/869234648.db2.gz ZQTRDZFUSKYAME-OAHLLOKOSA-N -1 3 375.306 3.728 20 30 GHEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC001193308657 871018006 /nfs/dbraw/zinc/01/80/06/871018006.db2.gz XYKWDMOVTUFHRQ-UHFFFAOYSA-N -1 3 384.244 3.624 20 30 GHEDHM O=C(Nc1ncc([O-])cc1Br)c1ccc(C#CBr)cc1 ZINC001194797298 871940212 /nfs/dbraw/zinc/94/02/12/871940212.db2.gz IYZGWNGZJHGRKQ-UHFFFAOYSA-N -1 3 396.038 3.506 20 30 GHEDHM N#Cc1cc(Br)c(F)cc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195424771 872411705 /nfs/dbraw/zinc/41/17/05/872411705.db2.gz PAKKNWGHLSELIW-UHFFFAOYSA-N -1 3 378.226 3.587 20 30 GHEDHM N#Cc1cc(F)cc(C2(C(=O)Nc3cc(Br)ccc3[O-])CC2)c1 ZINC000552393725 872559356 /nfs/dbraw/zinc/55/93/56/872559356.db2.gz IVAMNJYFMOCTHC-UHFFFAOYSA-N -1 3 375.197 3.836 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1 ZINC000619462865 872659119 /nfs/dbraw/zinc/65/91/19/872659119.db2.gz XIYRDIFSTQRBST-UHFFFAOYSA-N -1 3 379.441 3.527 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2ccccc2OC)c(C)c1[O-] ZINC001196256157 872973517 /nfs/dbraw/zinc/97/35/17/872973517.db2.gz OYVCOWOIQCPFST-UHFFFAOYSA-N -1 3 385.445 3.567 20 30 GHEDHM COC(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(OC)cc1OC ZINC000768268955 873199229 /nfs/dbraw/zinc/19/92/29/873199229.db2.gz KCJOJLBFPUYMGD-XYHOIZSOSA-N -1 3 377.824 3.786 20 30 GHEDHM N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1Br ZINC001196690345 873329338 /nfs/dbraw/zinc/32/93/38/873329338.db2.gz MVHOYPSNVDOWAQ-UHFFFAOYSA-N -1 3 396.653 3.647 20 30 GHEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000775745814 873419959 /nfs/dbraw/zinc/41/99/59/873419959.db2.gz BWRDLZUQUHVSCO-JTQLQIEISA-N -1 3 380.279 3.620 20 30 GHEDHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 ZINC000541354424 873444718 /nfs/dbraw/zinc/44/47/18/873444718.db2.gz GKWUAOJZGUGEMG-NSHDSACASA-N -1 3 376.260 3.739 20 30 GHEDHM Fc1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)ccc1Cl ZINC000921256297 882757620 /nfs/dbraw/zinc/75/76/20/882757620.db2.gz LVHAWWOOYYDPSP-HNNXBMFYSA-N -1 3 390.827 3.754 20 30 GHEDHM N#Cc1cc(Cl)c([N-]S(=O)(=O)Cc2ccccn2)cc1C(F)(F)F ZINC001197835247 874064011 /nfs/dbraw/zinc/06/40/11/874064011.db2.gz QHCKKCIQBPEHNS-UHFFFAOYSA-N -1 3 375.759 3.567 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccc(F)c(Cl)c2)no1 ZINC000528226915 874241199 /nfs/dbraw/zinc/24/11/99/874241199.db2.gz VPOPFCVKZQAPFS-UHFFFAOYSA-N -1 3 386.814 3.827 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c(C)oc3cc(O)ccc32)c(C)c1[O-] ZINC001198630104 874532511 /nfs/dbraw/zinc/53/25/11/874532511.db2.gz XCPRDZLVZODTQJ-UHFFFAOYSA-N -1 3 394.383 3.762 20 30 GHEDHM O=S(=O)([N-]CC(F)(F)C(F)(F)C(F)(F)F)c1ccc2occc2c1 ZINC001198872738 874689212 /nfs/dbraw/zinc/68/92/12/874689212.db2.gz PKBDNAPFRKTGPD-UHFFFAOYSA-N -1 3 379.253 3.544 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2cccc(C(=O)Nc3ccc([O-])c(C#N)c3)c2C1 ZINC001199056903 874780419 /nfs/dbraw/zinc/78/04/19/874780419.db2.gz WWJFLIVEZODNPW-UHFFFAOYSA-N -1 3 393.443 3.809 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)cc1C#N ZINC001201320190 875630947 /nfs/dbraw/zinc/63/09/47/875630947.db2.gz RISLQRSEONFTGZ-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2Br)c1 ZINC001201781299 875878620 /nfs/dbraw/zinc/87/86/20/875878620.db2.gz NPTGTEATQNLOLA-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000172883745 875987114 /nfs/dbraw/zinc/98/71/14/875987114.db2.gz QCKNITVWNZTJNB-UHFFFAOYSA-N -1 3 377.441 3.551 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cnc1Br ZINC000788347890 878010187 /nfs/dbraw/zinc/01/01/87/878010187.db2.gz HUMBJRQEGCWKLF-CYBMUJFWSA-N -1 3 382.217 3.891 20 30 GHEDHM N#CCCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000615754242 878072526 /nfs/dbraw/zinc/07/25/26/878072526.db2.gz KRLBHZCPCXWKFU-UHFFFAOYSA-N -1 3 384.407 3.572 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000617042003 879360902 /nfs/dbraw/zinc/36/09/02/879360902.db2.gz LYDJTHNCNHULHY-KSSFIOAISA-N -1 3 383.448 3.806 20 30 GHEDHM Cc1ccc(CN2CC[C@H](/N=C\c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000790100485 879464811 /nfs/dbraw/zinc/46/48/11/879464811.db2.gz VFIUXNXXWVSOJM-QREGZJMFSA-N -1 3 387.277 3.683 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2C)c1 ZINC000112222686 879797684 /nfs/dbraw/zinc/79/76/84/879797684.db2.gz RGWGWADPINVMFP-QGZVFWFLSA-N -1 3 388.427 3.541 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2C)c1 ZINC000112222685 879797974 /nfs/dbraw/zinc/79/79/74/879797974.db2.gz RGWGWADPINVMFP-KRWDZBQOSA-N -1 3 388.427 3.541 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000130255617 879936735 /nfs/dbraw/zinc/93/67/35/879936735.db2.gz NTTFDWMPOHSKES-CQSZACIVSA-N -1 3 382.782 3.626 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC000855554768 880590577 /nfs/dbraw/zinc/59/05/77/880590577.db2.gz YIKSXOUUJGIYLQ-HXUWFJFHSA-N -1 3 379.460 3.607 20 30 GHEDHM C#CCN(Cc1ccccc1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000804834692 883392383 /nfs/dbraw/zinc/39/23/83/883392383.db2.gz NAKURSHZAMKVNQ-UHFFFAOYSA-N -1 3 395.256 3.566 20 30 GHEDHM C=CCCO[C@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556328609 884489047 /nfs/dbraw/zinc/48/90/47/884489047.db2.gz GJJXVRUFUHOENP-SNVBAGLBSA-N -1 3 390.241 3.938 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(SC)c2)ccc1F ZINC001130620307 884694268 /nfs/dbraw/zinc/69/42/68/884694268.db2.gz MJEQIDOOCMTPHU-UHFFFAOYSA-N -1 3 394.493 3.573 20 30 GHEDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCC3)cc1SC ZINC000170856834 884959320 /nfs/dbraw/zinc/95/93/20/884959320.db2.gz SHIZNQJKYQNDHA-UHFFFAOYSA-N -1 3 389.458 3.999 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C#N)c(Cl)c3)c2)n1 ZINC000155057585 886116083 /nfs/dbraw/zinc/11/60/83/886116083.db2.gz VIXZCKLJTNFJCO-UHFFFAOYSA-N -1 3 378.819 3.777 20 30 GHEDHM CC(=NNc1ccc(F)c(Cl)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000863180147 886907129 /nfs/dbraw/zinc/90/71/29/886907129.db2.gz FKDNUDDNCZKZTH-UHFFFAOYSA-N -1 3 377.847 3.853 20 30 GHEDHM Cc1c(Br)c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1C ZINC001184246726 913098174 /nfs/dbraw/zinc/09/81/74/913098174.db2.gz NASPMSPKGCPLKK-UHFFFAOYSA-N -1 3 393.068 3.829 20 30 GHEDHM O=C(C[C@H]1C(=O)Nc2c1cccc2F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184246855 913098653 /nfs/dbraw/zinc/09/86/53/913098653.db2.gz QZIHKEUURRZHDS-CYBMUJFWSA-N -1 3 383.206 3.976 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(C)c(C)c3)nc(=O)c2c1C ZINC000809148794 887147782 /nfs/dbraw/zinc/14/77/82/887147782.db2.gz HKKIFFPUZURLBU-UHFFFAOYSA-N -1 3 396.468 3.678 20 30 GHEDHM C=C(CC(=O)OCCCC)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001184311854 913121414 /nfs/dbraw/zinc/12/14/14/913121414.db2.gz HBOKXAHRCSASGJ-UHFFFAOYSA-N -1 3 377.437 3.576 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000287144452 913140000 /nfs/dbraw/zinc/14/00/00/913140000.db2.gz NFSOTGQNDWFVPP-UHFFFAOYSA-N -1 3 388.471 3.596 20 30 GHEDHM COc1cc(C(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)c(OC)cc1[O-] ZINC000763106634 887668423 /nfs/dbraw/zinc/66/84/23/887668423.db2.gz QSRSFLYJOZUFTH-GQCTYLIASA-N -1 3 380.343 3.916 20 30 GHEDHM CC(C)c1ccc2c(c1)C(=N[N-]c1c(F)cc(C(=O)NC3CC3)cc1F)C(=O)N2 ZINC000763186756 888147592 /nfs/dbraw/zinc/14/75/92/888147592.db2.gz NWPISAFWEWVYRJ-UHFFFAOYSA-N -1 3 398.413 3.749 20 30 GHEDHM CCS(=O)(=O)c1ccc(C/N=C/c2cc(Br)ccc2[O-])s1 ZINC000794833687 888275100 /nfs/dbraw/zinc/27/51/00/888275100.db2.gz PFSYYEIVFJMKDS-LZYBPNLTSA-N -1 3 388.308 3.629 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccnc(F)c1 ZINC000794902353 888756937 /nfs/dbraw/zinc/75/69/37/888756937.db2.gz OMBTWMYMDLYROB-UHFFFAOYSA-N -1 3 384.436 3.858 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NC1C[C@H]3CCCc4cccc1c43)[n-]c2=O ZINC000763362804 888818765 /nfs/dbraw/zinc/81/87/65/888818765.db2.gz HALNYTNCMOKPMS-CYBMUJFWSA-N -1 3 376.464 3.927 20 30 GHEDHM Fc1cccc(Cl)c1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916320793 888922798 /nfs/dbraw/zinc/92/27/98/888922798.db2.gz KDQNUMLCGLFIEH-OAHLLOKOSA-N -1 3 390.827 3.754 20 30 GHEDHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000796096959 913299538 /nfs/dbraw/zinc/29/95/38/913299538.db2.gz JPMMAYBNWJKLRG-HNNXBMFYSA-N -1 3 396.281 3.501 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCCCC(=O)c2ccc(Br)cc2)c1 ZINC000811186987 889272214 /nfs/dbraw/zinc/27/22/14/889272214.db2.gz GKEYIAYJEJFWCR-UHFFFAOYSA-N -1 3 388.217 3.846 20 30 GHEDHM Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)c2c1 ZINC000811856886 890050791 /nfs/dbraw/zinc/05/07/91/890050791.db2.gz VVZKTUNGOCVPRN-AWEZNQCLSA-N -1 3 390.409 3.618 20 30 GHEDHM Cc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000173623588 890282060 /nfs/dbraw/zinc/28/20/60/890282060.db2.gz XNADOIMIFPYSPA-UHFFFAOYSA-N -1 3 377.366 3.762 20 30 GHEDHM C[C@H](Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1)c1ccccc1 ZINC000917509935 892108782 /nfs/dbraw/zinc/10/87/82/892108782.db2.gz VJYRDDLOHXEUFK-MAUKXSAKSA-N -1 3 386.411 3.578 20 30 GHEDHM CCOc1cc(C=NNCc2ccc(OC)cc2)cc(Br)c1[O-] ZINC000917547695 892147470 /nfs/dbraw/zinc/14/74/70/892147470.db2.gz ZCDXUVMLWFQKDW-UHFFFAOYSA-N -1 3 379.254 3.686 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(N(C)c4ccccc4)nc3)nc1-2 ZINC000498001356 892913655 /nfs/dbraw/zinc/91/36/55/892913655.db2.gz HFRNQGLUCYWDSF-KRWDZBQOSA-N -1 3 382.427 3.919 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000536761840 893711507 /nfs/dbraw/zinc/71/15/07/893711507.db2.gz XEZJGXZIVFEGNK-OAHLLOKOSA-N -1 3 390.333 3.668 20 30 GHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nccc2ccccc21 ZINC000563831025 894239718 /nfs/dbraw/zinc/23/97/18/894239718.db2.gz ZSTNDXRFGFBSAE-INIZCTEOSA-N -1 3 382.379 3.844 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nsc3ccc(C)cc32)cc1OC ZINC000815909241 894286170 /nfs/dbraw/zinc/28/61/70/894286170.db2.gz VNOVNXMCMUZSNE-AWEZNQCLSA-N -1 3 395.440 3.583 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)c3ncccc3c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826266400 896763754 /nfs/dbraw/zinc/76/37/54/896763754.db2.gz NNVPZQXHPCBFBE-BQYQJAHWSA-N -1 3 384.443 3.676 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)c3ncccc3c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826266400 896763765 /nfs/dbraw/zinc/76/37/65/896763765.db2.gz NNVPZQXHPCBFBE-BQYQJAHWSA-N -1 3 384.443 3.676 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000820476488 897349845 /nfs/dbraw/zinc/34/98/45/897349845.db2.gz LYEWAZXYDQIBLC-MRXNPFEDSA-N -1 3 393.365 3.559 20 30 GHEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)CCc1ccccc1 ZINC000823222588 898911965 /nfs/dbraw/zinc/91/19/65/898911965.db2.gz MQWRGHRAMPPPAM-HXUWFJFHSA-N -1 3 385.414 3.768 20 30 GHEDHM Cc1cc([O-])ccc1C(=O)Nc1c(C#N)cnn1-c1ccccc1Br ZINC001186174035 914365560 /nfs/dbraw/zinc/36/55/60/914365560.db2.gz QWSCRQYBFRPEKU-UHFFFAOYSA-N -1 3 397.232 3.773 20 30 GHEDHM O=C(c1ccccc1[O-])N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287504 900457700 /nfs/dbraw/zinc/45/77/00/900457700.db2.gz SKKWPANJUBIKOB-IUCAKERBSA-N -1 3 389.242 3.635 20 30 GHEDHM CCCN1CCN(c2ccccc2C=[NH+][N-]c2cccc(C(=O)[O-])c2C)CC1 ZINC000844622620 901086162 /nfs/dbraw/zinc/08/61/62/901086162.db2.gz ACOPKPAYFPWOEW-UHFFFAOYSA-N -1 3 380.492 3.671 20 30 GHEDHM CC(C)C[C@@](C)(C#N)[N-]C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001186431124 914553620 /nfs/dbraw/zinc/55/36/20/914553620.db2.gz RBRCLJLHJZMXPJ-SFHVURJKSA-N -1 3 387.471 3.713 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005165148 914659224 /nfs/dbraw/zinc/65/92/24/914659224.db2.gz HZCAFQZHNCQCBQ-SCUMNGBJSA-N -1 3 381.520 3.517 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1[O-] ZINC001144766638 902843529 /nfs/dbraw/zinc/84/35/29/902843529.db2.gz NTSGGCFCLURDJM-UHFFFAOYSA-N -1 3 382.460 3.904 20 30 GHEDHM C=CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000628482165 906164459 /nfs/dbraw/zinc/16/44/59/906164459.db2.gz GMGWIHWILLWGGC-HNNXBMFYSA-N -1 3 388.464 3.665 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cncc(Br)c1 ZINC000193473539 908417711 /nfs/dbraw/zinc/41/77/11/908417711.db2.gz XXNRSTOUIRSBAB-LLVKDONJSA-N -1 3 396.603 3.598 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1Cl ZINC001258290629 909285108 /nfs/dbraw/zinc/28/51/08/909285108.db2.gz WGYHTERJTPSFGJ-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM C=CCOC[C@H](NCc1ccc(Br)cc1SC(C)C)C(=O)[O-] ZINC000901808570 921584133 /nfs/dbraw/zinc/58/41/33/921584133.db2.gz HFULSSRBYFLPQY-AWEZNQCLSA-N -1 3 388.327 3.695 20 30 GHEDHM Cc1[nH]c2ccccc2c1Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000273852696 911058418 /nfs/dbraw/zinc/05/84/18/911058418.db2.gz LNUQNZCBHSUFGL-UHFFFAOYSA-N -1 3 387.443 3.824 20 30 GHEDHM Cc1nc(-c2ccccc2C)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000773986924 911236408 /nfs/dbraw/zinc/23/64/08/911236408.db2.gz FWRXTDHLOGJQMG-HNNXBMFYSA-N -1 3 376.441 3.783 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2cc(F)cc(F)c2)c(C)c1[O-] ZINC001187577914 915372723 /nfs/dbraw/zinc/37/27/23/915372723.db2.gz UKBUBCSRWHNDMZ-UHFFFAOYSA-N -1 3 375.331 3.671 20 30 GHEDHM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000802043140 921778590 /nfs/dbraw/zinc/77/85/90/921778590.db2.gz RHUHJVFEFJOKHS-HNNXBMFYSA-N -1 3 396.809 3.934 20 30 GHEDHM Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001188853602 916259609 /nfs/dbraw/zinc/25/96/09/916259609.db2.gz NJLDXZPOTYYZMD-UHFFFAOYSA-N -1 3 395.422 3.979 20 30 GHEDHM C[C@](C#N)([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1ccccc1Cl ZINC001189124130 916413326 /nfs/dbraw/zinc/41/33/26/916413326.db2.gz XZXGHNZNRPQLEG-QGZVFWFLSA-N -1 3 383.300 3.894 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc(C(F)(F)F)ncc2Br)ccc1[O-] ZINC001189713557 916857794 /nfs/dbraw/zinc/85/77/94/916857794.db2.gz LYBHOYSUGMVENX-UHFFFAOYSA-N -1 3 386.127 3.692 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC001190665630 917454701 /nfs/dbraw/zinc/45/47/01/917454701.db2.gz OHHHNRQSEZDSLG-UHFFFAOYSA-N -1 3 396.443 3.755 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(Cc3cccc(F)c3)CCC2)c1 ZINC001190677785 917507964 /nfs/dbraw/zinc/50/79/64/917507964.db2.gz XDLPFBFRHYLLNI-UHFFFAOYSA-N -1 3 376.428 3.528 20 30 GHEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)cccc2C#N)c2ccco2)cc1 ZINC001191411742 917988330 /nfs/dbraw/zinc/98/83/30/917988330.db2.gz AVBRJSTWOGVPJU-LJQANCHMSA-N -1 3 382.441 3.536 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CSc3ccccc32)no1 ZINC000296466241 918298743 /nfs/dbraw/zinc/29/87/43/918298743.db2.gz ODNDPWBAMWETRV-INIZCTEOSA-N -1 3 378.457 3.682 20 30 GHEDHM O=C(Nc1cccc(C(=O)N([O-])Cc2cccc3ccccc32)c1)[C@H]1CCCO1 ZINC000901371715 921047526 /nfs/dbraw/zinc/04/75/26/921047526.db2.gz VSNVRJKSAMVUQQ-OAQYLSRUSA-N -1 3 390.439 3.989 20 30 GHEDHM O=C(C1=Cc2cc(Br)ccc2OC1)N([O-])Cc1ccc(F)cc1 ZINC000901376049 921054086 /nfs/dbraw/zinc/05/40/86/921054086.db2.gz OGGGYRMZSXZMEL-UHFFFAOYSA-N -1 3 378.197 3.782 20 30 GHEDHM O=C(c1cccc(Cn2ccnn2)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378882 921055123 /nfs/dbraw/zinc/05/51/23/921055123.db2.gz LZEWCPMMNZMAOQ-UHFFFAOYSA-N -1 3 377.231 3.665 20 30 GHEDHM O=C(c1ccnc(O[C@@H]2CCOC2)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379317 921056719 /nfs/dbraw/zinc/05/67/19/921056719.db2.gz ZQSRWGPKAIXPQN-OAHLLOKOSA-N -1 3 383.231 3.588 20 30 GHEDHM C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)n1nnc(-c2ccccc2)n1 ZINC000901379315 921057264 /nfs/dbraw/zinc/05/72/64/921057264.db2.gz ZQFMOYBDPOIMSP-NSHDSACASA-N -1 3 392.246 3.626 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCOc2c(Cl)ccc(Cl)c21 ZINC000748585970 923729085 /nfs/dbraw/zinc/72/90/85/923729085.db2.gz MQSQGYWUMUSUBL-UHFFFAOYSA-N -1 3 385.272 3.600 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cc(Cl)cs1 ZINC000782153159 931103174 /nfs/dbraw/zinc/10/31/74/931103174.db2.gz YNWSJXINHSFUMQ-ZDUSSCGKSA-N -1 3 378.866 3.676 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000783254766 931475629 /nfs/dbraw/zinc/47/56/29/931475629.db2.gz NDIUFBCBMLGPRX-CGOBSMCZSA-N -1 3 399.170 3.835 20 30 GHEDHM CC(=O)[C@@H]1CC(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)=NN1c1ccccc1 ZINC000797567742 932329240 /nfs/dbraw/zinc/32/92/40/932329240.db2.gz AYVJUDHJPROQPD-RDJZCZTQSA-N -1 3 394.500 3.841 20 30 GHEDHM C=CC[C@H](CC)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000799035040 932858403 /nfs/dbraw/zinc/85/84/03/932858403.db2.gz QWVDEQPZPVATID-HNNXBMFYSA-N -1 3 398.459 3.746 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001121708985 934744589 /nfs/dbraw/zinc/74/45/89/934744589.db2.gz PKKLQYZQULWOJB-KRWDZBQOSA-N -1 3 396.882 3.930 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccncc1 ZINC001122499845 934883899 /nfs/dbraw/zinc/88/38/99/934883899.db2.gz LYYNNSCBQOGVRX-CQSZACIVSA-N -1 3 392.369 3.811 20 30 GHEDHM CCc1c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cnn1C(C)(C)C ZINC001122624571 934924398 /nfs/dbraw/zinc/92/43/98/934924398.db2.gz DCGSNAYTSFWZKC-QGZVFWFLSA-N -1 3 375.476 3.935 20 30 GHEDHM CCc1c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cnn1C(C)(C)C ZINC001122624570 934924495 /nfs/dbraw/zinc/92/44/95/934924495.db2.gz DCGSNAYTSFWZKC-KRWDZBQOSA-N -1 3 375.476 3.935 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])C=Cc1ccc(C(=O)OC(C)(C)C)o1 ZINC001123336284 935164461 /nfs/dbraw/zinc/16/44/61/935164461.db2.gz GCEYFTTXSWQXTO-SMYYYNMVSA-N -1 3 375.812 3.511 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])C=Cc1ccc(C(=O)OC(C)(C)C)o1 ZINC001123336283 935164495 /nfs/dbraw/zinc/16/44/95/935164495.db2.gz GCEYFTTXSWQXTO-PZBABLGHSA-N -1 3 375.812 3.511 20 30 GHEDHM C=C(C)c1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)c1 ZINC001573296151 947040771 /nfs/dbraw/zinc/04/07/71/947040771.db2.gz ZBLPQWJOSMJTJL-UHFFFAOYSA-N -1 3 394.504 3.951 20 30 GHEDHM C=C(C)c1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)c1 ZINC001573296151 947040785 /nfs/dbraw/zinc/04/07/85/947040785.db2.gz ZBLPQWJOSMJTJL-UHFFFAOYSA-N -1 3 394.504 3.951 20 30 GHEDHM C=C[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573298995 947086755 /nfs/dbraw/zinc/08/67/55/947086755.db2.gz BJWYCPYZXKLRJQ-MRXNPFEDSA-N -1 3 377.448 3.952 20 30 GHEDHM C=C[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573298995 947086768 /nfs/dbraw/zinc/08/67/68/947086768.db2.gz BJWYCPYZXKLRJQ-MRXNPFEDSA-N -1 3 377.448 3.952 20 30 GHEDHM CN(Cc1ccc(F)c(C#N)c1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598517637 992636628 /nfs/dbraw/zinc/63/66/28/992636628.db2.gz PQBZTFXNALVKAY-INIZCTEOSA-N -1 3 377.213 3.718 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2ccc(Br)cc2)nc1)c1ccncn1 ZINC000545445800 1015877768 /nfs/dbraw/zinc/87/77/68/1015877768.db2.gz LEONFNSXXHGVFN-HNNXBMFYSA-N -1 3 395.216 3.916 20 30 GHEDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)ccc1C#N ZINC001599406312 997309497 /nfs/dbraw/zinc/30/94/97/997309497.db2.gz ZORDQYNEHQJGGW-QGZVFWFLSA-N -1 3 389.249 3.587 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc2ncc(-c3ccccc3)nc21 ZINC001154496684 1032143961 /nfs/dbraw/zinc/14/39/61/1032143961.db2.gz SBXPZNNDGULMOU-UHFFFAOYSA-N -1 3 383.411 3.736 20 30 GHEDHM C[C@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC001154560119 1032182714 /nfs/dbraw/zinc/18/27/14/1032182714.db2.gz WZRWMKBUBUIRLS-GLISGAFZSA-N -1 3 375.472 3.734 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3c2CC(C)(C)O3)c(C)c1[O-] ZINC001155748672 1032677843 /nfs/dbraw/zinc/67/78/43/1032677843.db2.gz VOVBRKKVZUKHLU-UHFFFAOYSA-N -1 3 394.427 3.715 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cn(C2CCCC2)c2ncnc(Cl)c12 ZINC001155887617 1032766104 /nfs/dbraw/zinc/76/61/04/1032766104.db2.gz RGTPUAXHQCWURY-UHFFFAOYSA-N -1 3 398.854 3.639 20 30 GHEDHM Cc1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1N1CCCC1 ZINC001155907274 1032781604 /nfs/dbraw/zinc/78/16/04/1032781604.db2.gz UHMSYLXVWLRLQN-UHFFFAOYSA-N -1 3 381.358 3.532 20 30 GHEDHM COC(=O)C=Cc1cc(C)cnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155914321 1032790961 /nfs/dbraw/zinc/79/09/61/1032790961.db2.gz MOTZKCJFLYOPCK-VMPITWQZSA-N -1 3 395.337 3.723 20 30 GHEDHM CN1[C@@H]2C[C@@H](Oc3ccccc3N=CC=Nc3ccccc3[O-])[C@H]1CC(=O)C2 ZINC001228124010 1032798477 /nfs/dbraw/zinc/79/84/77/1032798477.db2.gz HPENPSIXOSEVPQ-VQPPSCEASA-N -1 3 377.444 3.680 20 30 GHEDHM CCOc1cc(C=NNc2ccc3n[nH]cc3c2)cc(Br)c1[O-] ZINC000779816912 1020958333 /nfs/dbraw/zinc/95/83/33/1020958333.db2.gz AXQVNXVZPOSNTL-UHFFFAOYSA-N -1 3 375.226 3.876 20 30 GHEDHM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])c(F)c2)cc1CN1CCCC1 ZINC000835010318 1021767148 /nfs/dbraw/zinc/76/71/48/1021767148.db2.gz XBQXVDNDCWVEDL-UHFFFAOYSA-N -1 3 385.439 3.964 20 30 GHEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(Br)cc1[O-] ZINC000754711557 1022851337 /nfs/dbraw/zinc/85/13/37/1022851337.db2.gz ZRPRFUPEPBYQMA-UHFFFAOYSA-N -1 3 375.148 3.800 20 30 GHEDHM Cc1ncc(CO)c(C=NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000755030708 1023031605 /nfs/dbraw/zinc/03/16/05/1023031605.db2.gz CMGTYKBJCDUJOW-UUYOSTAYSA-N -1 3 385.464 3.597 20 30 GHEDHM [O-]N=C(Nc1ccc(-c2ncccn2)cn1)c1ccc(OC(F)(F)F)cc1 ZINC001163766213 1026309780 /nfs/dbraw/zinc/30/97/80/1026309780.db2.gz XZRVPXZKLPMMLY-UHFFFAOYSA-N -1 3 375.310 3.685 20 30 GHEDHM C[C@H]([N-]C(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC001141931309 1027688348 /nfs/dbraw/zinc/68/83/48/1027688348.db2.gz XBTHHAFPOGYHCW-SESKUHFYSA-N -1 3 377.231 3.583 20 30 GHEDHM N#Cc1ccc([N-]c2nc3cc(C(F)(F)F)c(Br)cn3n2)c(N)c1 ZINC001213355766 1028133090 /nfs/dbraw/zinc/13/30/90/1028133090.db2.gz VFVUVQVYOLQMRJ-UHFFFAOYSA-N -1 3 397.158 3.708 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC000842290489 1029184352 /nfs/dbraw/zinc/18/43/52/1029184352.db2.gz YREYENXETKKWAZ-MRXNPFEDSA-N -1 3 381.388 3.652 20 30 GHEDHM N#Cc1cc(Br)ccc1-c1noc(-c2ccc3[nH][n-]c(=O)c3c2)n1 ZINC001217473074 1030422090 /nfs/dbraw/zinc/42/20/90/1030422090.db2.gz IJHGSEMSJRRAMZ-UHFFFAOYSA-N -1 3 382.177 3.620 20 30 GHEDHM COc1cc([O-])cc(O[C@H]2CCNCC2(F)F)c1C(=O)/C=C/c1ccccc1 ZINC001218011602 1030720882 /nfs/dbraw/zinc/72/08/82/1030720882.db2.gz WWVBHGVWHWIBJB-UCFODXPJSA-N -1 3 389.398 3.673 20 30 GHEDHM N#Cc1c[nH]c2cc(NC(=O)c3nc4cc(Br)ccc4[n-]3)ccc12 ZINC001151826437 1031020844 /nfs/dbraw/zinc/02/08/44/1031020844.db2.gz FMKZVTGAFNOEFS-UHFFFAOYSA-N -1 3 380.205 3.931 20 30 GHEDHM N#Cc1c[nH]c2cc(NC(=O)c3nc4ccc(Br)cc4[n-]3)ccc12 ZINC001151826437 1031020861 /nfs/dbraw/zinc/02/08/61/1031020861.db2.gz FMKZVTGAFNOEFS-UHFFFAOYSA-N -1 3 380.205 3.931 20 30 GHEDHM COC(=O)c1cccc2c(C(=O)Nc3sc4ccccc4c3C#N)[n-]nc21 ZINC001154141546 1031949398 /nfs/dbraw/zinc/94/93/98/1031949398.db2.gz GYEHJZCHZLCZIR-UHFFFAOYSA-N -1 3 376.397 3.688 20 30 GHEDHM COC(=O)c1cccc2c(C(=O)Nc3sc4ccccc4c3C#N)n[n-]c21 ZINC001154141546 1031949400 /nfs/dbraw/zinc/94/94/00/1031949400.db2.gz GYEHJZCHZLCZIR-UHFFFAOYSA-N -1 3 376.397 3.688 20 30 GHEDHM CCc1cc(NC(=O)c2[n-]nc3c2cccc3C(=O)OC)cc(CC)c1C#N ZINC001154147190 1031950910 /nfs/dbraw/zinc/95/09/10/1031950910.db2.gz PFTBXBIPXBHNRP-UHFFFAOYSA-N -1 3 376.416 3.598 20 30 GHEDHM CCc1cc(NC(=O)c2n[n-]c3c2cccc3C(=O)OC)cc(CC)c1C#N ZINC001154147190 1031950913 /nfs/dbraw/zinc/95/09/13/1031950913.db2.gz PFTBXBIPXBHNRP-UHFFFAOYSA-N -1 3 376.416 3.598 20 30 GHEDHM COc1cccc(-n2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)nn2)c1 ZINC001161783034 1035301131 /nfs/dbraw/zinc/30/11/31/1035301131.db2.gz DNJQIXNFKUBEBU-UHFFFAOYSA-N -1 3 393.230 3.614 20 30 GHEDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161784643 1035301794 /nfs/dbraw/zinc/30/17/94/1035301794.db2.gz OYDIOIJFUFZPFQ-UHFFFAOYSA-N -1 3 381.219 3.722 20 30 GHEDHM C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001161843010 1035313616 /nfs/dbraw/zinc/31/36/16/1035313616.db2.gz XDYZSSMAPOXYAR-GFCCVEGCSA-N -1 3 387.436 3.514 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cnc(Br)s1 ZINC001244905057 1036702511 /nfs/dbraw/zinc/70/25/11/1036702511.db2.gz ZRNGUFGSXZXFQS-UBKPWBPPSA-N -1 3 383.271 3.760 20 30 GHEDHM N#CC=C([O-])c1ccccc1O[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001233530892 1039415825 /nfs/dbraw/zinc/41/58/25/1039415825.db2.gz ONXGOSLPEBTABT-ZDUSSCGKSA-N -1 3 375.881 3.936 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1F ZINC001233799421 1039624762 /nfs/dbraw/zinc/62/47/62/1039624762.db2.gz JMJJGUHJXLXRSM-WLLOATOISA-N -1 3 382.432 3.620 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001233803307 1039629201 /nfs/dbraw/zinc/62/92/01/1039629201.db2.gz NJSWAZYHFFLHBJ-UGVMZYNRSA-N -1 3 376.453 3.672 20 30 GHEDHM C#CC[C@H](C)Oc1c(OC)cc(=O)c2c([O-])cc(-c3ccccc3OC)oc1-2 ZINC001234731407 1040259781 /nfs/dbraw/zinc/25/97/81/1040259781.db2.gz GBWYGNYUEFNKSG-ZDUSSCGKSA-N -1 3 380.396 3.973 20 30 GHEDHM C#C[C@H](CC)Oc1cc(OC)c(OC)c2oc(-c3ccccc3[O-])cc(=O)c12 ZINC001234785080 1040316012 /nfs/dbraw/zinc/31/60/12/1040316012.db2.gz ZMXHEYAMEQVTMN-CYBMUJFWSA-N -1 3 380.396 3.973 20 30 GHEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1c([O-])cc(OC)cc1Cl)CCO2 ZINC001236797088 1041901765 /nfs/dbraw/zinc/90/17/65/1041901765.db2.gz JRNJMAHASQLRSF-MGPUTAFESA-N -1 3 381.900 3.628 20 30 GHEDHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)[C@H](O)c1c(F)cccc1F ZINC001294811559 1044806922 /nfs/dbraw/zinc/80/69/22/1044806922.db2.gz OSMCULSRCHBXGY-WBVHZDCISA-N -1 3 380.341 3.557 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)ccc1F ZINC001259419166 1045139519 /nfs/dbraw/zinc/13/95/19/1045139519.db2.gz MCYWGMJBSCLMKL-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001260886385 1045743180 /nfs/dbraw/zinc/74/31/80/1045743180.db2.gz BSRNZPBJIQOQET-LBPRGKRZSA-N -1 3 384.217 3.548 20 30 GHEDHM O=C1C=C([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)CCC1 ZINC001260944566 1045782038 /nfs/dbraw/zinc/78/20/38/1045782038.db2.gz JEENHHCZINRKIT-UHFFFAOYSA-N -1 3 387.301 3.639 20 30 GHEDHM C#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC001299869133 1046073992 /nfs/dbraw/zinc/07/39/92/1046073992.db2.gz GNSNDZKSXQKEIB-DHIUTWEWSA-N -1 3 398.462 3.744 20 30 GHEDHM O=C(CC1(Cn2cnnn2)CCCCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306892518 1048947543 /nfs/dbraw/zinc/94/75/43/1048947543.db2.gz FCIOKHVQAWTZRS-UHFFFAOYSA-N -1 3 398.294 3.739 20 30 GHEDHM COc1cccc(-c2ccc(C[N-]S(=O)(=O)c3ccsc3C#N)cc2)c1 ZINC001309186437 1050445223 /nfs/dbraw/zinc/44/52/23/1050445223.db2.gz POUHQMKOBVZUHA-UHFFFAOYSA-N -1 3 384.482 3.774 20 30 GHEDHM Cc1cccc(C)c1OC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC001309290414 1050562477 /nfs/dbraw/zinc/56/24/77/1050562477.db2.gz PVFCWXLUJYOKLX-IBGZPJMESA-N -1 3 396.468 3.867 20 30 GHEDHM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cc1 ZINC001342517664 1053212327 /nfs/dbraw/zinc/21/23/27/1053212327.db2.gz FFARVAROZRVEHW-IBGZPJMESA-N -1 3 388.427 3.990 20 30 GHEDHM Cc1ccoc1C=Nn1c(-c2ccc(O)cc2[O-])csc1=NCC(F)(F)F ZINC001318776954 1054866765 /nfs/dbraw/zinc/86/67/65/1054866765.db2.gz MPNIITRABXVLEP-UHFFFAOYSA-N -1 3 397.378 3.874 20 30 GHEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(C#N)cc1C(F)(F)F ZINC001319131741 1055053213 /nfs/dbraw/zinc/05/32/13/1055053213.db2.gz ZJDZJKJWVHESHA-UHFFFAOYSA-N -1 3 387.358 3.700 20 30 GHEDHM CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001320026291 1055607277 /nfs/dbraw/zinc/60/72/77/1055607277.db2.gz PSJSWGRQRZUJNM-UHFFFAOYSA-N -1 3 383.517 3.915 20 30 GHEDHM CN1C(=O)C[C@H](C(=O)N([O-])CCCCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC001472619209 1056573164 /nfs/dbraw/zinc/57/31/64/1056573164.db2.gz BFOHWKRNSFQMLH-PZJWPPBQSA-N -1 3 384.451 3.586 20 30 GHEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001444533968 1059334214 /nfs/dbraw/zinc/33/42/14/1059334214.db2.gz VWHMVWPPXFXLNE-VQIMIIECSA-N -1 3 393.393 3.718 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001339857736 1059522777 /nfs/dbraw/zinc/52/27/77/1059522777.db2.gz YAMNBORJJKATOY-LBPRGKRZSA-N -1 3 384.871 3.786 20 30 GHEDHM C#CCOc1ccccc1NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001447863858 1060052030 /nfs/dbraw/zinc/05/20/30/1060052030.db2.gz GAVOVXHICHSFIM-UHFFFAOYSA-N -1 3 397.228 3.555 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccsc2[C@@H]1C ZINC001341740619 1060851730 /nfs/dbraw/zinc/85/17/30/1060851730.db2.gz WCYLZIAMGWGBFY-LBPRGKRZSA-N -1 3 382.493 3.510 20 30 GHEDHM O=C([N-]C[C@@H](O)C(F)(F)C(F)(F)F)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001455196824 1062043163 /nfs/dbraw/zinc/04/31/63/1062043163.db2.gz MPDFCAPJDXPTCZ-HYHWUIIZSA-N -1 3 395.221 3.691 20 30 GHEDHM CC(C)(C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccccc1 ZINC001456458073 1062695979 /nfs/dbraw/zinc/69/59/79/1062695979.db2.gz OXOSDEBZNLKWPW-KRWDZBQOSA-N -1 3 386.398 3.849 20 30 GHEDHM Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458004333 1063501942 /nfs/dbraw/zinc/50/19/42/1063501942.db2.gz RYNGBSBQFPFILR-UHFFFAOYSA-N -1 3 386.795 3.680 20 30 GHEDHM COc1ccc2c(C)c(CCC(=O)N([O-])Cc3ccc(F)cc3)c(=O)oc2c1 ZINC001458015930 1063508010 /nfs/dbraw/zinc/50/80/10/1063508010.db2.gz HNIVMLGYBPGQOV-UHFFFAOYSA-N -1 3 385.391 3.600 20 30 GHEDHM CS(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)co1 ZINC001351005821 1064238649 /nfs/dbraw/zinc/23/86/49/1064238649.db2.gz ARFTVMKOFJKRGX-UHFFFAOYSA-N -1 3 398.465 3.634 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472616292 1073578253 /nfs/dbraw/zinc/57/82/53/1073578253.db2.gz OIJMYWCABOGUEH-GFCCVEGCSA-N -1 3 397.233 3.903 20 30 GHEDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)N([O-])Cc1ccccc1Cl ZINC001472619817 1073579253 /nfs/dbraw/zinc/57/92/53/1073579253.db2.gz GTGSEUMGRVWHFB-LZWOXQAQSA-N -1 3 380.872 3.561 20 30 GHEDHM CCCCCCN([O-])C(=O)c1nnn(-c2ccccc2Br)c1C ZINC001472621411 1073580485 /nfs/dbraw/zinc/58/04/85/1073580485.db2.gz TVMSOQSILGHFRR-UHFFFAOYSA-N -1 3 381.274 3.750 20 30 GHEDHM CC(C)(Cc1ccc(C#N)cc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001475702830 1075003533 /nfs/dbraw/zinc/00/35/33/1075003533.db2.gz CVAIUBLKXPQDOT-UHFFFAOYSA-N -1 3 399.335 3.682 20 30 GHEDHM CSCCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737181928 598909775 /nfs/dbraw/zinc/90/97/75/598909775.db2.gz OJICVWNNHCSMBW-AWEZNQCLSA-N -1 3 398.517 3.700 20 30 GHEDHM CSCCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737181928 598909776 /nfs/dbraw/zinc/90/97/76/598909776.db2.gz OJICVWNNHCSMBW-AWEZNQCLSA-N -1 3 398.517 3.700 20 30 GHEDHM Cc1c(F)cccc1-c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822034370 607252798 /nfs/dbraw/zinc/25/27/98/607252798.db2.gz AFPMAEFQUHEGQV-UHFFFAOYSA-N -1 3 376.395 3.698 20 30 GHEDHM Cc1c(F)cccc1-c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822034370 607252799 /nfs/dbraw/zinc/25/27/99/607252799.db2.gz AFPMAEFQUHEGQV-UHFFFAOYSA-N -1 3 376.395 3.698 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736193421 598919482 /nfs/dbraw/zinc/91/94/82/598919482.db2.gz QXJHHSIQAHPRDB-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736193421 598919485 /nfs/dbraw/zinc/91/94/85/598919485.db2.gz QXJHHSIQAHPRDB-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM Cc1ccccc1C1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCCC1 ZINC000737419633 598928910 /nfs/dbraw/zinc/92/89/10/598928910.db2.gz FMWJOIHVHMUEIM-UHFFFAOYSA-N -1 3 386.459 3.887 20 30 GHEDHM Cc1ccccc1C1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCCC1 ZINC000737419633 598928911 /nfs/dbraw/zinc/92/89/11/598928911.db2.gz FMWJOIHVHMUEIM-UHFFFAOYSA-N -1 3 386.459 3.887 20 30 GHEDHM COc1cc(C#N)ccc1OCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737035580 599010233 /nfs/dbraw/zinc/01/02/33/599010233.db2.gz UIBLXIIRKWRQGZ-ZDUSSCGKSA-N -1 3 381.461 3.620 20 30 GHEDHM COc1cc(C#N)ccc1OCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737035580 599010234 /nfs/dbraw/zinc/01/02/34/599010234.db2.gz UIBLXIIRKWRQGZ-ZDUSSCGKSA-N -1 3 381.461 3.620 20 30 GHEDHM O=C1C(=Cc2cc(Br)cs2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503594 599114280 /nfs/dbraw/zinc/11/42/80/599114280.db2.gz HNGNBMWOFMAUMY-UXBLZVDNSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2cc(Br)cs2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503594 599114283 /nfs/dbraw/zinc/11/42/83/599114283.db2.gz HNGNBMWOFMAUMY-UXBLZVDNSA-N -1 3 387.262 3.903 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1SC ZINC000821712948 599116422 /nfs/dbraw/zinc/11/64/22/599116422.db2.gz OXXAGGZFNZYZQZ-ZROIWOOFSA-N -1 3 378.457 3.810 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1SC ZINC000821712948 599116425 /nfs/dbraw/zinc/11/64/25/599116425.db2.gz OXXAGGZFNZYZQZ-ZROIWOOFSA-N -1 3 378.457 3.810 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(OCC(F)F)cc1 ZINC000823504946 599116845 /nfs/dbraw/zinc/11/68/45/599116845.db2.gz VXHWCBUEFMNNRA-NTEUORMPSA-N -1 3 382.370 3.723 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(OCC(F)F)cc1 ZINC000823504946 599116848 /nfs/dbraw/zinc/11/68/48/599116848.db2.gz VXHWCBUEFMNNRA-NTEUORMPSA-N -1 3 382.370 3.723 20 30 GHEDHM COc1ccc(CN=Nc2nc(Cl)c(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737084135 599127332 /nfs/dbraw/zinc/12/73/32/599127332.db2.gz XIEQJBRMOLRIPG-UHFFFAOYSA-N -1 3 398.641 3.677 20 30 GHEDHM COc1ccc(CN=Nc2nc(Cl)c(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737084135 599127334 /nfs/dbraw/zinc/12/73/34/599127334.db2.gz XIEQJBRMOLRIPG-UHFFFAOYSA-N -1 3 398.641 3.677 20 30 GHEDHM COc1cccc(F)c1C(C)=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737132666 599149191 /nfs/dbraw/zinc/14/91/91/599149191.db2.gz PQHCZCXMCRQPKL-UHFFFAOYSA-N -1 3 394.332 3.869 20 30 GHEDHM COc1cccc(F)c1C(C)=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737132666 599149194 /nfs/dbraw/zinc/14/91/94/599149194.db2.gz PQHCZCXMCRQPKL-UHFFFAOYSA-N -1 3 394.332 3.869 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc3cc(F)ccc3o2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201629 599156070 /nfs/dbraw/zinc/15/60/70/599156070.db2.gz FGUMDTVCTRFINI-WAYWQWQTSA-N -1 3 377.379 3.704 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc3cc(F)ccc3o2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201629 599156074 /nfs/dbraw/zinc/15/60/74/599156074.db2.gz FGUMDTVCTRFINI-WAYWQWQTSA-N -1 3 377.379 3.704 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735446825 599195691 /nfs/dbraw/zinc/19/56/91/599195691.db2.gz GPXYYXOYVRGRPJ-FLIBITNWSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735446825 599195693 /nfs/dbraw/zinc/19/56/93/599195693.db2.gz GPXYYXOYVRGRPJ-FLIBITNWSA-N -1 3 398.348 3.799 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000819746052 599286001 /nfs/dbraw/zinc/28/60/01/599286001.db2.gz YWXSDRVYHAYHHD-UHFFFAOYSA-N -1 3 387.447 3.579 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000819746052 599286002 /nfs/dbraw/zinc/28/60/02/599286002.db2.gz YWXSDRVYHAYHHD-UHFFFAOYSA-N -1 3 387.447 3.579 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1OC1CCC1 ZINC000735420003 599291335 /nfs/dbraw/zinc/29/13/35/599291335.db2.gz LSSSXYFEAUXURN-UHFFFAOYSA-N -1 3 389.459 3.626 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1OC1CCC1 ZINC000735420003 599291338 /nfs/dbraw/zinc/29/13/38/599291338.db2.gz LSSSXYFEAUXURN-UHFFFAOYSA-N -1 3 389.459 3.626 20 30 GHEDHM C=CCSCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735436534 598266278 /nfs/dbraw/zinc/26/62/78/598266278.db2.gz MMJKUGQESOKXET-UHFFFAOYSA-N -1 3 396.476 3.700 20 30 GHEDHM C=CCSCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436534 598266280 /nfs/dbraw/zinc/26/62/80/598266280.db2.gz MMJKUGQESOKXET-UHFFFAOYSA-N -1 3 396.476 3.700 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(F)c(F)cc1F ZINC000735421041 598266607 /nfs/dbraw/zinc/26/66/07/598266607.db2.gz WZCWOGGZQNXYPC-UHFFFAOYSA-N -1 3 388.353 3.504 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(F)c(F)cc1F ZINC000735421041 598266609 /nfs/dbraw/zinc/26/66/09/598266609.db2.gz WZCWOGGZQNXYPC-UHFFFAOYSA-N -1 3 388.353 3.504 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000735450655 598315534 /nfs/dbraw/zinc/31/55/34/598315534.db2.gz BZMDVGLZLFXREP-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000735450655 598315537 /nfs/dbraw/zinc/31/55/37/598315537.db2.gz BZMDVGLZLFXREP-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735973104 598561248 /nfs/dbraw/zinc/56/12/48/598561248.db2.gz CUPKEYKYIZYQPD-LBPRGKRZSA-N -1 3 379.449 3.905 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735973104 598561249 /nfs/dbraw/zinc/56/12/49/598561249.db2.gz CUPKEYKYIZYQPD-LBPRGKRZSA-N -1 3 379.449 3.905 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)Cc1ccccc1 ZINC000735418340 598762216 /nfs/dbraw/zinc/76/22/16/598762216.db2.gz BDWMERSVLNZRMK-IBGZPJMESA-N -1 3 375.476 3.650 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)Cc1ccccc1 ZINC000735418340 598762218 /nfs/dbraw/zinc/76/22/18/598762218.db2.gz BDWMERSVLNZRMK-IBGZPJMESA-N -1 3 375.476 3.650 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000819743210 599629800 /nfs/dbraw/zinc/62/98/00/599629800.db2.gz FRCDSROCPSLQRK-QHCPKHFHSA-N -1 3 387.487 3.577 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000819743210 599629801 /nfs/dbraw/zinc/62/98/01/599629801.db2.gz FRCDSROCPSLQRK-QHCPKHFHSA-N -1 3 387.487 3.577 20 30 GHEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000736360637 604375073 /nfs/dbraw/zinc/37/50/73/604375073.db2.gz QXAVXXUCVVFBTP-XPTSAGLGSA-N -1 3 379.388 3.557 20 30 GHEDHM CC(C)C[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000833795113 606025269 /nfs/dbraw/zinc/02/52/69/606025269.db2.gz GTATZESIMQYKMK-MFKMUULPSA-N -1 3 393.415 3.947 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000819745646 606110660 /nfs/dbraw/zinc/11/06/60/606110660.db2.gz NNUFYVUHNNPXQS-UHFFFAOYSA-N -1 3 384.827 3.617 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000819745646 606110663 /nfs/dbraw/zinc/11/06/63/606110663.db2.gz NNUFYVUHNNPXQS-UHFFFAOYSA-N -1 3 384.827 3.617 20 30 GHEDHM O=C(C(=NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1)c1ccccc1 ZINC000822912022 606204646 /nfs/dbraw/zinc/20/46/46/606204646.db2.gz JERTYPLMQLGUOG-UHFFFAOYSA-N -1 3 386.440 3.634 20 30 GHEDHM O=C(C(=NN=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1)c1ccccc1 ZINC000822912022 606204648 /nfs/dbraw/zinc/20/46/48/606204648.db2.gz JERTYPLMQLGUOG-UHFFFAOYSA-N -1 3 386.440 3.634 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822486994 606390912 /nfs/dbraw/zinc/39/09/12/606390912.db2.gz WQYSBOCSEFOLNC-NTMALXAHSA-N -1 3 376.445 3.627 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000822823180 606552626 /nfs/dbraw/zinc/55/26/26/606552626.db2.gz MGHPOHVKKFTZFE-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000822823180 606552627 /nfs/dbraw/zinc/55/26/27/606552627.db2.gz MGHPOHVKKFTZFE-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccccn3)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503289 606600484 /nfs/dbraw/zinc/60/04/84/606600484.db2.gz CQTDBFVVZGFPAE-JLHYYAGUSA-N -1 3 386.440 3.598 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccccn3)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503289 606600485 /nfs/dbraw/zinc/60/04/85/606600485.db2.gz CQTDBFVVZGFPAE-JLHYYAGUSA-N -1 3 386.440 3.598 20 30 GHEDHM C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819739721 606614009 /nfs/dbraw/zinc/61/40/09/606614009.db2.gz FEGSIDJVJOFBKC-MRXNPFEDSA-N -1 3 389.459 3.502 20 30 GHEDHM C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819739721 606614010 /nfs/dbraw/zinc/61/40/10/606614010.db2.gz FEGSIDJVJOFBKC-MRXNPFEDSA-N -1 3 389.459 3.502 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc(Br)ccc1F ZINC000822923757 606836787 /nfs/dbraw/zinc/83/67/87/606836787.db2.gz TWXMPXOJENDKMZ-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc(Br)ccc1F ZINC000822923757 606836789 /nfs/dbraw/zinc/83/67/89/606836789.db2.gz TWXMPXOJENDKMZ-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM N#CCCSc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822811173 606866300 /nfs/dbraw/zinc/86/63/00/606866300.db2.gz UBXYXWSXAHETCU-UHFFFAOYSA-N -1 3 380.477 3.753 20 30 GHEDHM N#CCCSc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822811173 606866302 /nfs/dbraw/zinc/86/63/02/606866302.db2.gz UBXYXWSXAHETCU-UHFFFAOYSA-N -1 3 380.477 3.753 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1-c1nnn[n-]1 ZINC000825830220 607787555 /nfs/dbraw/zinc/78/75/55/607787555.db2.gz OZZCDGLLBUDFDD-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1-c1nn[n-]n1 ZINC000825830220 607787556 /nfs/dbraw/zinc/78/75/56/607787556.db2.gz OZZCDGLLBUDFDD-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Cc1ccccc1Cl ZINC000823910163 607817341 /nfs/dbraw/zinc/81/73/41/607817341.db2.gz XZRRIMYHCQWDEC-OAHLLOKOSA-N -1 3 395.894 3.914 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)Cc1ccccc1Cl ZINC000823910163 607817342 /nfs/dbraw/zinc/81/73/42/607817342.db2.gz XZRRIMYHCQWDEC-OAHLLOKOSA-N -1 3 395.894 3.914 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nnn[n-]2)s1)CC3 ZINC000826212370 608229266 /nfs/dbraw/zinc/22/92/66/608229266.db2.gz ONSWLUTXAGHBFJ-CSKARUKUSA-N -1 3 377.429 3.631 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1S[C@H](C)CC#N ZINC000826170562 608320853 /nfs/dbraw/zinc/32/08/53/608320853.db2.gz FRFIJDJUBJUJIJ-CYBMUJFWSA-N -1 3 380.477 3.882 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1S[C@H](C)CC#N ZINC000826170562 608320854 /nfs/dbraw/zinc/32/08/54/608320854.db2.gz FRFIJDJUBJUJIJ-CYBMUJFWSA-N -1 3 380.477 3.882 20 30 GHEDHM C=CCOc1cccnc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823931633 608472783 /nfs/dbraw/zinc/47/27/83/608472783.db2.gz CEQXLBJYTRHLAX-UHFFFAOYSA-N -1 3 399.410 3.713 20 30 GHEDHM C=CCOc1cccnc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823931633 608472784 /nfs/dbraw/zinc/47/27/84/608472784.db2.gz CEQXLBJYTRHLAX-UHFFFAOYSA-N -1 3 399.410 3.713 20 30 GHEDHM Clc1cc(-c2nnn[n-]2)cc(NN=C2CCSc3c(Cl)cccc32)n1 ZINC000826350180 608537541 /nfs/dbraw/zinc/53/75/41/608537541.db2.gz LFBCDTXBQVPLQZ-UHFFFAOYSA-N -1 3 392.275 3.881 20 30 GHEDHM Clc1cc(-c2nn[n-]n2)cc(NN=C2CCSc3c(Cl)cccc32)n1 ZINC000826350180 608537542 /nfs/dbraw/zinc/53/75/42/608537542.db2.gz LFBCDTXBQVPLQZ-UHFFFAOYSA-N -1 3 392.275 3.881 20 30 GHEDHM Fc1cccc(Cl)c1CCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826377236 608541540 /nfs/dbraw/zinc/54/15/40/608541540.db2.gz JZVJWAPMDYYXJM-UHFFFAOYSA-N -1 3 380.214 3.738 20 30 GHEDHM Fc1cccc(Cl)c1CCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826377236 608541542 /nfs/dbraw/zinc/54/15/42/608541542.db2.gz JZVJWAPMDYYXJM-UHFFFAOYSA-N -1 3 380.214 3.738 20 30 GHEDHM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380048 609162574 /nfs/dbraw/zinc/16/25/74/609162574.db2.gz NNONEVDABGIDOV-HNNXBMFYSA-N -1 3 386.459 3.645 20 30 GHEDHM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380048 609162576 /nfs/dbraw/zinc/16/25/76/609162576.db2.gz NNONEVDABGIDOV-HNNXBMFYSA-N -1 3 386.459 3.645 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC(F)F ZINC000826190828 609271983 /nfs/dbraw/zinc/27/19/83/609271983.db2.gz OMAZCESULBEZBL-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC(F)F ZINC000826190828 609271985 /nfs/dbraw/zinc/27/19/85/609271985.db2.gz OMAZCESULBEZBL-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM O=C(C=Cc1ccc(F)c(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400594 609272415 /nfs/dbraw/zinc/27/24/15/609272415.db2.gz CBLRWNZJCSDPDX-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400594 609272416 /nfs/dbraw/zinc/27/24/16/609272416.db2.gz CBLRWNZJCSDPDX-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM Cn1cc(C=CC(=O)c2cc3ccccc3o2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359306 609307670 /nfs/dbraw/zinc/30/76/70/609307670.db2.gz BUXXOTWYVPQMME-ZHACJKMWSA-N -1 3 396.410 3.910 20 30 GHEDHM Cn1cc(C=CC(=O)c2cc3ccccc3o2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359306 609307672 /nfs/dbraw/zinc/30/76/72/609307672.db2.gz BUXXOTWYVPQMME-ZHACJKMWSA-N -1 3 396.410 3.910 20 30 GHEDHM Cn1cc(C=CC(=O)c2c[nH]c3ccccc23)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359478 609309703 /nfs/dbraw/zinc/30/97/03/609309703.db2.gz ILZZLQIXWWJNQL-KHPPLWFESA-N -1 3 395.426 3.645 20 30 GHEDHM Cn1cc(C=CC(=O)c2c[nH]c3ccccc23)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359478 609309705 /nfs/dbraw/zinc/30/97/05/609309705.db2.gz ILZZLQIXWWJNQL-KHPPLWFESA-N -1 3 395.426 3.645 20 30 GHEDHM C=C(C)CN(C)C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823872591 609397611 /nfs/dbraw/zinc/39/76/11/609397611.db2.gz BOKOMUIGRFBRMR-UHFFFAOYSA-N -1 3 379.489 3.807 20 30 GHEDHM C=C(C)CN(C)C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823872591 609397613 /nfs/dbraw/zinc/39/76/13/609397613.db2.gz BOKOMUIGRFBRMR-UHFFFAOYSA-N -1 3 379.489 3.807 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000823910138 609449825 /nfs/dbraw/zinc/44/98/25/609449825.db2.gz XWZLLJPXLOZEEB-QGZVFWFLSA-N -1 3 375.476 3.569 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000823910138 609449826 /nfs/dbraw/zinc/44/98/26/609449826.db2.gz XWZLLJPXLOZEEB-QGZVFWFLSA-N -1 3 375.476 3.569 20 30 GHEDHM O=[N+]([O-])c1ccc(Cl)cc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826498390 609472355 /nfs/dbraw/zinc/47/23/55/609472355.db2.gz SIVJELYVUCMHFJ-UHFFFAOYSA-N -1 3 378.179 3.528 20 30 GHEDHM O=[N+]([O-])c1ccc(Cl)cc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826498390 609472357 /nfs/dbraw/zinc/47/23/57/609472357.db2.gz SIVJELYVUCMHFJ-UHFFFAOYSA-N -1 3 378.179 3.528 20 30 GHEDHM Clc1cc(NN=Cc2c(C3CC3)nc3sccn23)ccc1-c1nn[n-]n1 ZINC000826351303 609474067 /nfs/dbraw/zinc/47/40/67/609474067.db2.gz HUPDIWFBHSUMTK-UHFFFAOYSA-N -1 3 384.856 3.553 20 30 GHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000683173147 834912789 /nfs/dbraw/zinc/91/27/89/834912789.db2.gz FFSRRSSWDFTBEV-KRWDZBQOSA-N -1 3 376.250 3.929 20 30 GHEDHM C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000188060527 835818455 /nfs/dbraw/zinc/81/84/55/835818455.db2.gz MDKARCDCVGRTCW-UHFFFAOYSA-N -1 3 390.480 3.838 20 30 GHEDHM C=CCN(CCc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429976402 844154097 /nfs/dbraw/zinc/15/40/97/844154097.db2.gz VDJJQXFSNCXXKZ-UHFFFAOYSA-N -1 3 399.292 3.781 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416044111 838455289 /nfs/dbraw/zinc/45/52/89/838455289.db2.gz IBIUWXKMSBOPMT-KRWDZBQOSA-N -1 3 399.441 3.720 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2ccc(Br)cc2)nc1)c1ccncn1 ZINC000545445804 838789002 /nfs/dbraw/zinc/78/90/02/838789002.db2.gz LEONFNSXXHGVFN-OAHLLOKOSA-N -1 3 395.216 3.916 20 30 GHEDHM Cc1cc(NC([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)no1 ZINC000535775624 844432981 /nfs/dbraw/zinc/43/29/81/844432981.db2.gz MHCBABCYHNUNQT-NSOUWEPUSA-N -1 3 382.489 3.575 20 30 GHEDHM C#Cc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](C)CC4)cn1 ZINC000728937194 844446735 /nfs/dbraw/zinc/44/67/35/844446735.db2.gz HCENDLFEIATVGB-NWDGAFQWSA-N -1 3 393.468 3.816 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329380232 840166282 /nfs/dbraw/zinc/16/62/82/840166282.db2.gz NKGHGEZLFIAICI-MJBXVCDLSA-N -1 3 379.386 3.506 20 30 GHEDHM Cc1cccc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(F)(F)F)c1 ZINC000511823676 840862348 /nfs/dbraw/zinc/86/23/48/840862348.db2.gz LJZYLCOBIRPPNQ-SFHVURJKSA-N -1 3 391.393 3.937 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000600187000 861212659 /nfs/dbraw/zinc/21/26/59/861212659.db2.gz WVBFZWZHPWFNGU-MRXNPFEDSA-N -1 3 399.441 3.893 20 30 GHEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511902480 842335450 /nfs/dbraw/zinc/33/54/50/842335450.db2.gz VMPKZILIYBSYSA-UHFFFAOYSA-N -1 3 399.410 3.899 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)ccc1F ZINC000512060659 842371742 /nfs/dbraw/zinc/37/17/42/842371742.db2.gz KGKHJYSKHJTXSN-JKSUJKDBSA-N -1 3 399.447 3.611 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C ZINC000119473983 845381653 /nfs/dbraw/zinc/38/16/53/845381653.db2.gz PJCFOPIIWZQAAQ-HXUWFJFHSA-N -1 3 387.430 3.588 20 30 GHEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1OCCCC#N ZINC000277397666 845967998 /nfs/dbraw/zinc/96/79/98/845967998.db2.gz RRIFLEZILNGJQZ-OAQYLSRUSA-N -1 3 382.460 3.910 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1Cl ZINC000121779611 846524824 /nfs/dbraw/zinc/52/48/24/846524824.db2.gz IWMUQAAMVPISSK-AWEZNQCLSA-N -1 3 387.779 3.526 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000479449426 847640646 /nfs/dbraw/zinc/64/06/46/847640646.db2.gz DERYAEVUHAHRJZ-UHFFFAOYSA-N -1 3 390.436 3.762 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000128582877 861959090 /nfs/dbraw/zinc/95/90/90/861959090.db2.gz IUZXXKHRKGFCLD-QGZVFWFLSA-N -1 3 395.415 3.907 20 30 GHEDHM C=CCCc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436487528 851982616 /nfs/dbraw/zinc/98/26/16/851982616.db2.gz LEIZXTGQYJZAST-UHFFFAOYSA-N -1 3 393.487 3.937 20 30 GHEDHM Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1noc(-c2ccccc2[O-])n1 ZINC000436686796 852196899 /nfs/dbraw/zinc/19/68/99/852196899.db2.gz GCZUOPIGNLELNJ-UHFFFAOYSA-N -1 3 392.802 3.639 20 30 GHEDHM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC ZINC000426775368 852381375 /nfs/dbraw/zinc/38/13/75/852381375.db2.gz AKYIFVROCIYCCB-HXUWFJFHSA-N -1 3 389.423 3.713 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1C ZINC000516304597 852405890 /nfs/dbraw/zinc/40/58/90/852405890.db2.gz JVNDOAFKLAAEJM-UHFFFAOYSA-N -1 3 395.440 3.863 20 30 GHEDHM C=CCC(C)(C)CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000489929964 852652476 /nfs/dbraw/zinc/65/24/76/852652476.db2.gz CSFDEYABTRWAAW-UHFFFAOYSA-N -1 3 387.505 3.670 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nn1-c1cccc(C#N)c1 ZINC000505980804 852795771 /nfs/dbraw/zinc/79/57/71/852795771.db2.gz HAMWANJHNWBOLN-KRWDZBQOSA-N -1 3 380.411 3.727 20 30 GHEDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000518741922 853702259 /nfs/dbraw/zinc/70/22/59/853702259.db2.gz KNQYJEOYOSTBPP-NSHDSACASA-N -1 3 399.232 3.576 20 30 GHEDHM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000330497111 854680625 /nfs/dbraw/zinc/68/06/25/854680625.db2.gz XTRGQUZLUILGAF-NHYWBVRUSA-N -1 3 398.301 3.518 20 30 GHEDHM N#Cc1cccc(COc2cccc(NC(=O)c3cc4c(cc3[O-])OCO4)c2)c1 ZINC000436790728 856353593 /nfs/dbraw/zinc/35/35/93/856353593.db2.gz HUCJLDSQTZCNJF-UHFFFAOYSA-N -1 3 388.379 3.824 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C3CC3)c(C)c2)ccc1F ZINC001128163081 856828584 /nfs/dbraw/zinc/82/85/84/856828584.db2.gz GAHKAWUKFUXZFI-UHFFFAOYSA-N -1 3 388.464 3.728 20 30 GHEDHM CC1(C)CCc2sc([N-]C(=O)c3cnc(C4OCCO4)s3)c(C#N)c21 ZINC000906263384 856971481 /nfs/dbraw/zinc/97/14/81/856971481.db2.gz WODZPYTWILSILB-UHFFFAOYSA-N -1 3 375.475 3.598 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000172782990 857167452 /nfs/dbraw/zinc/16/74/52/857167452.db2.gz CHUMWDFISXKPSE-RBZFPXEDSA-N -1 3 381.451 3.545 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1OCc1ccccc1 ZINC000428241342 857453616 /nfs/dbraw/zinc/45/36/16/857453616.db2.gz FHVQTWBVOJNUJN-MRXNPFEDSA-N -1 3 393.468 3.572 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(Cl)c1 ZINC000486536144 857839301 /nfs/dbraw/zinc/83/93/01/857839301.db2.gz JCGMANRURYUBPG-UHFFFAOYSA-N -1 3 385.754 3.903 20 30 GHEDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000521422343 857964027 /nfs/dbraw/zinc/96/40/27/857964027.db2.gz QYLNQMSYWDIUIE-GXFFZTMASA-N -1 3 384.379 3.772 20 30 GHEDHM C[C@H]1CCc2sc([N-]C(=O)c3coc(S(C)(=O)=O)c3)c(C#N)c2[C@H]1C ZINC000593165949 858858256 /nfs/dbraw/zinc/85/82/56/858858256.db2.gz IIPGDKGKKKCOGA-UWVGGRQHSA-N -1 3 378.475 3.554 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2cn(C)c3ccccc23)no1 ZINC000596604919 858963197 /nfs/dbraw/zinc/96/31/97/858963197.db2.gz NCCDDRACYDRFKD-UHFFFAOYSA-N -1 3 387.443 3.526 20 30 GHEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(Cl)c1OC ZINC000593298199 859327601 /nfs/dbraw/zinc/32/76/01/859327601.db2.gz XHBRQJRUVARXMY-UHFFFAOYSA-N -1 3 389.839 3.518 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922286549 859422524 /nfs/dbraw/zinc/42/25/24/859422524.db2.gz YMIBLLXEZHUTGY-IEBWSBKVSA-N -1 3 386.398 3.800 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640293473 881440816 /nfs/dbraw/zinc/44/08/16/881440816.db2.gz YBLWTYKIJQFYSJ-UHFFFAOYSA-N -1 3 378.807 3.802 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)cc(=O)[n-]1 ZINC000611246253 859665797 /nfs/dbraw/zinc/66/57/97/859665797.db2.gz SRLPVNZTRKBMFR-GOSISDBHSA-N -1 3 395.422 3.952 20 30 GHEDHM COc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1OC ZINC000070691721 859910372 /nfs/dbraw/zinc/91/03/72/859910372.db2.gz CFSXKCIZIIZRQQ-UHFFFAOYSA-N -1 3 387.417 3.676 20 30 GHEDHM N#Cc1cc(Oc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)ccn1 ZINC000555119739 860053303 /nfs/dbraw/zinc/05/33/03/860053303.db2.gz JLPXWJHQENWGKW-UHFFFAOYSA-N -1 3 382.379 3.839 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(SCC)nc2)C1=O ZINC000727847733 860295734 /nfs/dbraw/zinc/29/57/34/860295734.db2.gz SMIBVELCSMCDCY-IBGZPJMESA-N -1 3 392.525 3.509 20 30 GHEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cn1 ZINC000727954764 860333969 /nfs/dbraw/zinc/33/39/69/860333969.db2.gz UOANBPCXFKWOHE-ZDUSSCGKSA-N -1 3 389.864 3.817 20 30 GHEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603039091 860431441 /nfs/dbraw/zinc/43/14/41/860431441.db2.gz DBELRARVMXLPCE-UHFFFAOYSA-N -1 3 399.804 3.835 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000125838441 860795033 /nfs/dbraw/zinc/79/50/33/860795033.db2.gz AFDIDHYGUAHGPQ-UHFFFAOYSA-N -1 3 392.503 3.814 20 30 GHEDHM COc1ccc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1Br ZINC000730548974 861163067 /nfs/dbraw/zinc/16/30/67/861163067.db2.gz PCZDYHFDRGRJMD-UDKNBNFDSA-N -1 3 379.254 3.539 20 30 GHEDHM CC(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000733678977 863107085 /nfs/dbraw/zinc/10/70/85/863107085.db2.gz QKUGYFUADXFXCR-CYBMUJFWSA-N -1 3 378.404 3.740 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(-c2ccc(C)o2)nc1C ZINC000129999423 863214422 /nfs/dbraw/zinc/21/44/22/863214422.db2.gz XYNOQDRHTGBEAM-CYBMUJFWSA-N -1 3 395.440 3.990 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000737633643 865411894 /nfs/dbraw/zinc/41/18/94/865411894.db2.gz UIHJDLLCXIAJDP-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000737633643 865411898 /nfs/dbraw/zinc/41/18/98/865411898.db2.gz UIHJDLLCXIAJDP-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNC=C3C(=O)[N-]C(=O)c4ccccc43)c2)s1 ZINC000739667894 865777740 /nfs/dbraw/zinc/77/77/40/865777740.db2.gz WSKRHUQMAFAXDD-UYRXBGFRSA-N -1 3 385.448 3.687 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H](COCc2ccccc2)c2ccccc2)c1[O-] ZINC000740763491 866005597 /nfs/dbraw/zinc/00/55/97/866005597.db2.gz JTKAEHBHAICCMW-WGBQGACBSA-N -1 3 376.456 3.965 20 30 GHEDHM N[C@](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)(c1cccc(F)c1)C(F)(F)F ZINC000500536746 866304819 /nfs/dbraw/zinc/30/48/19/866304819.db2.gz ZTSDFIRXYVJSDP-AWEZNQCLSA-N -1 3 396.262 3.905 20 30 GHEDHM C#CCCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000742422850 867287188 /nfs/dbraw/zinc/28/71/88/867287188.db2.gz MGZAKTZCMHPWMH-UHFFFAOYSA-N -1 3 387.461 3.838 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000445992169 869259720 /nfs/dbraw/zinc/25/97/20/869259720.db2.gz JNHVXVMQRNZIMD-AWEZNQCLSA-N -1 3 375.306 3.728 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1 ZINC000920838289 882404551 /nfs/dbraw/zinc/40/45/51/882404551.db2.gz IEPMWQMTRSPRJB-SFHVURJKSA-N -1 3 379.416 3.989 20 30 GHEDHM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000128037989 870523505 /nfs/dbraw/zinc/52/35/05/870523505.db2.gz IKJLNMVNBWIUFR-CQSZACIVSA-N -1 3 393.424 3.863 20 30 GHEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000443339046 871290049 /nfs/dbraw/zinc/29/00/49/871290049.db2.gz GHAPLUKZOGCQOC-GWCFXTLKSA-N -1 3 380.819 3.859 20 30 GHEDHM N#Cc1cccc(-c2cc(C(=O)NCc3ccc([O-])c(Br)c3)on2)c1 ZINC000447577142 871923646 /nfs/dbraw/zinc/92/36/46/871923646.db2.gz FVRRIOKFOZUSEY-UHFFFAOYSA-N -1 3 398.216 3.611 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCOc2c(Cl)c(Cl)ccc21 ZINC000921137781 882623755 /nfs/dbraw/zinc/62/37/55/882623755.db2.gz LEWCUFVGNNGNDJ-UHFFFAOYSA-N -1 3 399.299 3.990 20 30 GHEDHM COC(=O)c1c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)sc2c1CCC2 ZINC000448101629 872849963 /nfs/dbraw/zinc/84/99/63/872849963.db2.gz PQINJSACZAJXHA-UHFFFAOYSA-N -1 3 393.424 3.802 20 30 GHEDHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)on1 ZINC001196759265 873330598 /nfs/dbraw/zinc/33/05/98/873330598.db2.gz IFIRKKDSNVHAOL-UHFFFAOYSA-N -1 3 392.371 3.508 20 30 GHEDHM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000464185245 873369656 /nfs/dbraw/zinc/36/96/56/873369656.db2.gz LWHMQEAQKNFUAE-ZDUSSCGKSA-N -1 3 398.216 3.602 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cc1Cl ZINC001197509347 873845717 /nfs/dbraw/zinc/84/57/17/873845717.db2.gz WYSNGTJKDNXNAV-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1nc(C#N)c(C#N)nc1Cl ZINC001201834063 875896001 /nfs/dbraw/zinc/89/60/01/875896001.db2.gz KESHKSYAXVZQQD-UHFFFAOYSA-N -1 3 383.905 3.756 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cc(CC(=O)OC)ccc1O ZINC001201835824 875897517 /nfs/dbraw/zinc/89/75/17/875897517.db2.gz FMJHQOOKOZQMTC-UHFFFAOYSA-N -1 3 385.526 3.990 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(OC(F)(F)F)c1 ZINC000746538025 875933634 /nfs/dbraw/zinc/93/36/34/875933634.db2.gz NORNEVHQNOPBAK-UHFFFAOYSA-N -1 3 394.349 3.850 20 30 GHEDHM C[C@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000776280486 876171612 /nfs/dbraw/zinc/17/16/12/876171612.db2.gz RFYGNJKBKUFWES-JTQLQIEISA-N -1 3 393.226 3.605 20 30 GHEDHM N#Cc1ccc(F)c([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c1 ZINC001129598076 883006282 /nfs/dbraw/zinc/00/62/82/883006282.db2.gz YFPIHVNVVUCFRG-UHFFFAOYSA-N -1 3 393.275 3.688 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001129669039 883071963 /nfs/dbraw/zinc/07/19/63/883071963.db2.gz DGQUEAAVTSJGGU-FPOVZHCZSA-N -1 3 377.488 3.764 20 30 GHEDHM N#Cc1ccccc1N1CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787059356 877148542 /nfs/dbraw/zinc/14/85/42/877148542.db2.gz FTIIPGQAMNWFKJ-UHFFFAOYSA-N -1 3 381.451 3.511 20 30 GHEDHM COc1cc(Br)ccc1[C@@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000787142916 877192009 /nfs/dbraw/zinc/19/20/09/877192009.db2.gz YHCCSVQNIRUXMG-UDKNBNFDSA-N -1 3 379.254 3.539 20 30 GHEDHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1C(C)C ZINC000530139071 877192519 /nfs/dbraw/zinc/19/25/19/877192519.db2.gz SMEMBQUPFWEJME-UHFFFAOYSA-N -1 3 388.489 3.702 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCCCC2)n1 ZINC000776513975 877396684 /nfs/dbraw/zinc/39/66/84/877396684.db2.gz CSNHYZNVZGTASG-MRXNPFEDSA-N -1 3 380.448 3.667 20 30 GHEDHM N#CC(C(=O)CCC(=O)c1c(F)cccc1F)=C([O-])C1(c2ccccc2)CC1 ZINC000851107465 877414051 /nfs/dbraw/zinc/41/40/51/877414051.db2.gz IVOBGXBIKULCKX-OAHLLOKOSA-N -1 3 381.378 3.937 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(=O)c1c(F)cccc1F ZINC000851107465 877414064 /nfs/dbraw/zinc/41/40/64/877414064.db2.gz IVOBGXBIKULCKX-OAHLLOKOSA-N -1 3 381.378 3.937 20 30 GHEDHM COc1cc(/C=C2/CCc3cc(C#N)cnc3C2=O)cc(Br)c1[O-] ZINC000788354862 878024251 /nfs/dbraw/zinc/02/42/51/878024251.db2.gz DTMTUWRZFUARCU-PQMHYQBVSA-N -1 3 385.217 3.642 20 30 GHEDHM C=CCCC1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000852471351 878348065 /nfs/dbraw/zinc/34/80/65/878348065.db2.gz LYUBUYAVBFOKEA-OAHLLOKOSA-N -1 3 389.462 3.613 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1c(F)cc(F)cc1F ZINC000127991013 878984437 /nfs/dbraw/zinc/98/44/37/878984437.db2.gz KQYAMSXHFNDSBD-NSHDSACASA-N -1 3 378.350 3.518 20 30 GHEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cc(C)cc(Br)c1[O-] ZINC000763481443 879075409 /nfs/dbraw/zinc/07/54/09/879075409.db2.gz UVMUASWTHTUCNX-UHFFFAOYSA-N -1 3 398.264 3.836 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000617042004 879361213 /nfs/dbraw/zinc/36/12/13/879361213.db2.gz LYDJTHNCNHULHY-RDTXWAMCSA-N -1 3 383.448 3.806 20 30 GHEDHM CCCOc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)c(OC(F)F)c1 ZINC000760212213 883610738 /nfs/dbraw/zinc/61/07/38/883610738.db2.gz RTKODVXWSIPSAT-YVNNLAQVSA-N -1 3 380.391 3.597 20 30 GHEDHM N#CC(=C([O-])c1cc([N+](=O)[O-])cc2ccccc21)c1nnc2n1CCCCC2 ZINC000860482791 884725024 /nfs/dbraw/zinc/72/50/24/884725024.db2.gz MDRAURHLWWSLSY-QGZVFWFLSA-N -1 3 375.388 3.556 20 30 GHEDHM C=CCC(CC=C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000131176931 885625512 /nfs/dbraw/zinc/62/55/12/885625512.db2.gz FTDSHNIOPCQLQF-UHFFFAOYSA-N -1 3 376.400 3.784 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000193371787 885771779 /nfs/dbraw/zinc/77/17/79/885771779.db2.gz VZWPFUXIGHVYAB-UHFFFAOYSA-N -1 3 396.472 3.679 20 30 GHEDHM Cc1ccc(-c2cc(COC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)on2)cc1 ZINC000915231040 886085910 /nfs/dbraw/zinc/08/59/10/886085910.db2.gz GPNOSELBFZKQBP-UHFFFAOYSA-N -1 3 391.427 3.915 20 30 GHEDHM CC(=NNc1cccc(F)c1Cl)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000863158993 886894939 /nfs/dbraw/zinc/89/49/39/886894939.db2.gz YROWRGLLENFRQV-UHFFFAOYSA-N -1 3 377.847 3.853 20 30 GHEDHM CC(C)[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001184235710 913093516 /nfs/dbraw/zinc/09/35/16/913093516.db2.gz NGONIMLFOBQOHK-AHIWAGSCSA-N -1 3 389.323 3.845 20 30 GHEDHM [O-]c1ccc(F)c(C=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1F ZINC000794512466 887083296 /nfs/dbraw/zinc/08/32/96/887083296.db2.gz VSNZLAAOMDQGRA-UHFFFAOYSA-N -1 3 395.291 3.987 20 30 GHEDHM O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N([O-])Cc1ccccc1Cl ZINC001184284130 913133394 /nfs/dbraw/zinc/13/33/94/913133394.db2.gz ZHRPKSSOBFVVAO-OAHLLOKOSA-N -1 3 393.270 3.760 20 30 GHEDHM O=C(OCc1ccccc1)N1CC[C@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001184293582 913143057 /nfs/dbraw/zinc/14/30/57/913143057.db2.gz ZLIVOBONFVIQQR-NRFANRHFSA-N -1 3 396.487 3.886 20 30 GHEDHM [O-]c1c(O)ccc(C=Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1O ZINC000763097891 887642083 /nfs/dbraw/zinc/64/20/83/887642083.db2.gz RIBAHJQRBKKQAI-UHFFFAOYSA-N -1 3 386.411 3.861 20 30 GHEDHM COC[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000794677340 887748433 /nfs/dbraw/zinc/74/84/33/887748433.db2.gz VBYYUZLEVRALGK-QVQQHXNLSA-N -1 3 382.888 3.881 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)cc(Br)c1[O-] ZINC000794716842 887965293 /nfs/dbraw/zinc/96/52/93/887965293.db2.gz WJYGDWXBORZRIS-GORDUTHDSA-N -1 3 390.189 3.906 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C(C)(C)C)ccn2)c(C)c1[O-] ZINC001184567715 913293450 /nfs/dbraw/zinc/29/34/50/913293450.db2.gz CUVUAWLNDKITTF-UHFFFAOYSA-N -1 3 381.432 3.694 20 30 GHEDHM CC(C)(C)[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000154198998 890272451 /nfs/dbraw/zinc/27/24/51/890272451.db2.gz RMZCPEKYLWSNJJ-KRWDZBQOSA-N -1 3 390.436 3.722 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)C)nc2C)cc1 ZINC000916941995 890576554 /nfs/dbraw/zinc/57/65/54/890576554.db2.gz CRWIWNSONFWFKL-HNNXBMFYSA-N -1 3 399.472 3.713 20 30 GHEDHM C=CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)CC1CCCCC1 ZINC000069860169 893947815 /nfs/dbraw/zinc/94/78/15/893947815.db2.gz QAGIDHOPGKRCLF-UHFFFAOYSA-N -1 3 389.521 3.648 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000815915541 894324841 /nfs/dbraw/zinc/32/48/41/894324841.db2.gz RTQUGACNRGFXIK-HNNXBMFYSA-N -1 3 398.850 3.803 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])c(C)cc1C ZINC000817713307 895860950 /nfs/dbraw/zinc/86/09/50/895860950.db2.gz BMVLMMKZEMYBAJ-HNNXBMFYSA-N -1 3 381.388 3.572 20 30 GHEDHM Cc1c(C)n(C)c2ccc(OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc12 ZINC000817761980 895892950 /nfs/dbraw/zinc/89/29/50/895892950.db2.gz QWGHTFMVVKCGQV-UHFFFAOYSA-N -1 3 377.444 3.922 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000819743138 896967281 /nfs/dbraw/zinc/96/72/81/896967281.db2.gz DENTWUTUABEPFE-OALUTQOASA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000819743138 896967283 /nfs/dbraw/zinc/96/72/83/896967283.db2.gz DENTWUTUABEPFE-OALUTQOASA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000819743848 896969125 /nfs/dbraw/zinc/96/91/25/896969125.db2.gz RAPWRCKJJUXPTB-HNNXBMFYSA-N -1 3 396.520 3.505 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000819743848 896969137 /nfs/dbraw/zinc/96/91/37/896969137.db2.gz RAPWRCKJJUXPTB-HNNXBMFYSA-N -1 3 396.520 3.505 20 30 GHEDHM N#C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CC1 ZINC000822801222 898634323 /nfs/dbraw/zinc/63/43/23/898634323.db2.gz GNHCRFZFTJIYNM-INIZCTEOSA-N -1 3 395.806 3.771 20 30 GHEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823903860 899292856 /nfs/dbraw/zinc/29/28/56/899292856.db2.gz MLZVXDQLEUXFJI-UHFFFAOYSA-N -1 3 396.451 3.510 20 30 GHEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823903860 899292866 /nfs/dbraw/zinc/29/28/66/899292866.db2.gz MLZVXDQLEUXFJI-UHFFFAOYSA-N -1 3 396.451 3.510 20 30 GHEDHM C=C(Cl)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823883623 899304111 /nfs/dbraw/zinc/30/41/11/899304111.db2.gz VVDRSISLMKYMSC-CYBMUJFWSA-N -1 3 382.855 3.646 20 30 GHEDHM C=C(Cl)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823883623 899304127 /nfs/dbraw/zinc/30/41/27/899304127.db2.gz VVDRSISLMKYMSC-CYBMUJFWSA-N -1 3 382.855 3.646 20 30 GHEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(N)cc1Cl ZINC000823958815 899315295 /nfs/dbraw/zinc/31/52/95/899315295.db2.gz XXGDSQGYTZUFFA-UHFFFAOYSA-N -1 3 395.776 3.957 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1cscn1 ZINC000826401314 899722490 /nfs/dbraw/zinc/72/24/90/899722490.db2.gz VJPNKPBALYKWOU-CMDGGOBGSA-N -1 3 389.440 3.798 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cscn1 ZINC000826401314 899722499 /nfs/dbraw/zinc/72/24/99/899722499.db2.gz VJPNKPBALYKWOU-CMDGGOBGSA-N -1 3 389.440 3.798 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2c(Br)cccc21 ZINC000826475271 900803656 /nfs/dbraw/zinc/80/36/56/900803656.db2.gz ARKUBNJGSWPBEX-HJWRWDBZSA-N -1 3 387.262 3.903 20 30 GHEDHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)ccc1Cl ZINC000886404712 900982553 /nfs/dbraw/zinc/98/25/53/900982553.db2.gz CUGPHGNVFDYWDN-UHFFFAOYSA-N -1 3 377.897 3.659 20 30 GHEDHM CCC(=O)c1ccc(OCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845836430 902447332 /nfs/dbraw/zinc/44/73/32/902447332.db2.gz JTLRFDJPENCACO-LJQANCHMSA-N -1 3 375.424 3.668 20 30 GHEDHM CCC(=O)c1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1 ZINC000845836430 902447338 /nfs/dbraw/zinc/44/73/38/902447338.db2.gz JTLRFDJPENCACO-LJQANCHMSA-N -1 3 375.424 3.668 20 30 GHEDHM CCOc1cccc2c1OCC(C([O-])=C(C#N)C(=O)C1(c3ccccc3)CC1)=C2 ZINC000845838846 902454820 /nfs/dbraw/zinc/45/48/20/902454820.db2.gz PUZWYIGQXRJTGZ-LJQANCHMSA-N -1 3 387.435 3.871 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)N=c3[nH][n-]cc3Br)c2)cc1 ZINC000577501619 902826552 /nfs/dbraw/zinc/82/65/52/902826552.db2.gz DHPHBVCNVVSTCF-UHFFFAOYSA-N -1 3 383.205 3.510 20 30 GHEDHM C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001146226114 903479143 /nfs/dbraw/zinc/47/91/43/903479143.db2.gz LTRLCEFFFIDCNA-BMLIUANNSA-N -1 3 397.269 3.563 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000174694899 905325335 /nfs/dbraw/zinc/32/53/35/905325335.db2.gz KXTMZYVGSSCXRW-RNODOKPDSA-N -1 3 381.451 3.545 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1-c1ccc(F)cc1 ZINC000777302333 905718026 /nfs/dbraw/zinc/71/80/26/905718026.db2.gz KZMHMXWQNFRMEZ-OAHLLOKOSA-N -1 3 396.809 3.934 20 30 GHEDHM N#CC(=C([O-])c1ccc(I)cc1)c1cnc2ccccc2n1 ZINC000190941711 906458426 /nfs/dbraw/zinc/45/84/26/906458426.db2.gz NXXSKLNJGVFLAC-CYBMUJFWSA-N -1 3 399.191 3.724 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000194484634 908887159 /nfs/dbraw/zinc/88/71/59/908887159.db2.gz GEILBUIHRKRBOX-INIZCTEOSA-N -1 3 382.782 3.626 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000195491963 909013275 /nfs/dbraw/zinc/01/32/75/909013275.db2.gz QNWGTHYMPWCHPF-KRWDZBQOSA-N -1 3 376.803 3.758 20 30 GHEDHM Cc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC001186910074 914895827 /nfs/dbraw/zinc/89/58/27/914895827.db2.gz XIXCNMYVLRIRBQ-KRWDZBQOSA-N -1 3 387.461 3.841 20 30 GHEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1Cl ZINC001190576386 917417696 /nfs/dbraw/zinc/41/76/96/917417696.db2.gz BZGUNHBUXLFEST-UHFFFAOYSA-N -1 3 399.255 3.761 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(C(F)(F)F)cn2)C2CC2)c1 ZINC001190677716 917506637 /nfs/dbraw/zinc/50/66/37/917506637.db2.gz SPQJTZLQQJAXKJ-MRXNPFEDSA-N -1 3 399.369 3.541 20 30 GHEDHM CN(Cc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1)C(=O)OC(C)(C)C ZINC001192067408 918403550 /nfs/dbraw/zinc/40/35/50/918403550.db2.gz FDVQHQLVVWNVAR-UHFFFAOYSA-N -1 3 381.432 3.883 20 30 GHEDHM O=C(c1cnn2cc(Br)cnc12)N([O-])Cc1cccc2ccccc21 ZINC000900091870 919834046 /nfs/dbraw/zinc/83/40/46/919834046.db2.gz QPIRHPMWLXKKJX-UHFFFAOYSA-N -1 3 397.232 3.677 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000298524592 920630026 /nfs/dbraw/zinc/63/00/26/920630026.db2.gz WGYIJBZTDXYLBU-HNNXBMFYSA-N -1 3 381.476 3.873 20 30 GHEDHM O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N([O-])Cc1cccc2ccccc21 ZINC000901370431 921046165 /nfs/dbraw/zinc/04/61/65/921046165.db2.gz ZFILGYUHOSIUBU-UHFFFAOYSA-N -1 3 388.383 3.965 20 30 GHEDHM O=C(c1ccc(=O)n(-c2ccccc2F)n1)N([O-])Cc1cccc2ccccc21 ZINC000901370753 921046862 /nfs/dbraw/zinc/04/68/62/921046862.db2.gz FHFKVGQHJKKWSZ-UHFFFAOYSA-N -1 3 389.386 3.556 20 30 GHEDHM Cc1cc(S(C)(=O)=O)cc(C(=O)N([O-])Cc2cccc3ccccc32)c1C ZINC000901371353 921048213 /nfs/dbraw/zinc/04/82/13/921048213.db2.gz SFDOOUMFJFTTPC-UHFFFAOYSA-N -1 3 383.469 3.892 20 30 GHEDHM O=C(Nc1cccc(C(=O)N([O-])Cc2cccc3ccccc32)c1)[C@@H]1CCCO1 ZINC000901371714 921048247 /nfs/dbraw/zinc/04/82/47/921048247.db2.gz 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30 GHEDHM CCCCCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC001260045360 1045370727 /nfs/dbraw/zinc/37/07/27/1045370727.db2.gz NVUWQPOEPQHOKD-UHFFFAOYSA-N -1 3 386.473 3.847 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001263293003 1046690065 /nfs/dbraw/zinc/69/00/65/1046690065.db2.gz ZJBZOXGZXZWGSN-CQSZACIVSA-N -1 3 398.344 3.852 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)c(C#N)c1 ZINC001309355087 1050628933 /nfs/dbraw/zinc/62/89/33/1050628933.db2.gz XWFIWABRLRCIPU-KRWDZBQOSA-N -1 3 382.407 3.709 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1cccs1 ZINC001309414443 1050697565 /nfs/dbraw/zinc/69/75/65/1050697565.db2.gz HQOQZYHBFZWEPJ-MRVPVSSYSA-N -1 3 389.271 3.561 20 30 GHEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001309463023 1050738213 /nfs/dbraw/zinc/73/82/13/1050738213.db2.gz VDSQWTCIMCHRGC-QGZVFWFLSA-N -1 3 381.482 3.648 20 30 GHEDHM Cc1cccc(N(CC(C)(C)C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC001334147896 1051911211 /nfs/dbraw/zinc/91/12/11/1051911211.db2.gz MWCOVSJBTOFQEW-UHFFFAOYSA-N -1 3 380.492 3.991 20 30 GHEDHM C=C(C)Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001343240831 1053642086 /nfs/dbraw/zinc/64/20/86/1053642086.db2.gz AGMQCOZHINOEKN-OKILXGFUSA-N -1 3 394.853 3.700 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001343405919 1053754300 /nfs/dbraw/zinc/75/43/00/1053754300.db2.gz SMZGKFBPVWJAPL-UHFFFAOYSA-N -1 3 390.900 3.677 20 30 GHEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2Br)c1F ZINC001200797633 1056959206 /nfs/dbraw/zinc/95/92/06/1056959206.db2.gz BUFWHDUEAWPDPA-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CCCc1c(NC(=O)c2[n-]cnc2C(F)(F)F)cnn1-c1cccc(C#N)c1 ZINC001447963301 1060073437 /nfs/dbraw/zinc/07/34/37/1060073437.db2.gz PTPGTDMSGYHFFC-UHFFFAOYSA-N -1 3 388.353 3.691 20 30 GHEDHM CCCc1c(NC(=O)c2nc[n-]c2C(F)(F)F)cnn1-c1cccc(C#N)c1 ZINC001447963301 1060073461 /nfs/dbraw/zinc/07/34/61/1060073461.db2.gz PTPGTDMSGYHFFC-UHFFFAOYSA-N -1 3 388.353 3.691 20 30 GHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001448926459 1060298478 /nfs/dbraw/zinc/29/84/78/1060298478.db2.gz XRUFZOLPSGJYLK-UHFFFAOYSA-N -1 3 392.908 3.930 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(-c4ccc(Cl)cc4)nn3C)nc1-2 ZINC001347106632 1062120870 /nfs/dbraw/zinc/12/08/70/1062120870.db2.gz IGKBHNDVQSDLCN-CQSZACIVSA-N -1 3 390.834 3.810 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)ccc1F ZINC001455924746 1062354185 /nfs/dbraw/zinc/35/41/85/1062354185.db2.gz CVMXDQVGYBXBQM-MAUKXSAKSA-N -1 3 396.528 3.625 20 30 GHEDHM COc1cc(C#N)ccc1C(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001457164876 1062995514 /nfs/dbraw/zinc/99/55/14/1062995514.db2.gz IMRJMHUFMLQMHP-UHFFFAOYSA-N -1 3 379.445 3.538 20 30 GHEDHM O=C(c1ccc(=O)n(-c2ccccc2)n1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457979397 1063480286 /nfs/dbraw/zinc/48/02/86/1063480286.db2.gz FZLOBFXOVKPKET-UHFFFAOYSA-N -1 3 390.226 3.571 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N([O-])Cc1ccccc1Cl ZINC001458003618 1063501149 /nfs/dbraw/zinc/50/11/49/1063501149.db2.gz QLXXNNBDTKOQPV-CYBMUJFWSA-N -1 3 379.243 3.764 20 30 GHEDHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001458050013 1063526955 /nfs/dbraw/zinc/52/69/55/1063526955.db2.gz RMRLFDCGEVJTRQ-UHFFFAOYSA-N -1 3 384.399 3.813 20 30 GHEDHM C#CCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC001463723736 1064571026 /nfs/dbraw/zinc/57/10/26/1064571026.db2.gz LBVHPFNMTZHTTB-UHFFFAOYSA-N -1 3 376.286 3.545 20 30 GHEDHM C=C(Cl)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001466684240 1066254753 /nfs/dbraw/zinc/25/47/53/1066254753.db2.gz PAKMHMDMUDSXHI-UHFFFAOYSA-N -1 3 393.896 3.978 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472616293 1073577969 /nfs/dbraw/zinc/57/79/69/1073577969.db2.gz OIJMYWCABOGUEH-LBPRGKRZSA-N -1 3 397.233 3.903 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNc3nc4c(cc3-c3nnn[n-]3)CCC4)c2)s1 ZINC000737707949 598854909 /nfs/dbraw/zinc/85/49/09/598854909.db2.gz ARPFKPZSQMRIGJ-UHFFFAOYSA-N -1 3 399.483 3.963 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNc3nc4c(cc3-c3nn[n-]n3)CCC4)c2)s1 ZINC000737707949 598854910 /nfs/dbraw/zinc/85/49/10/598854910.db2.gz ARPFKPZSQMRIGJ-UHFFFAOYSA-N -1 3 399.483 3.963 20 30 GHEDHM CCCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736452356 598915146 /nfs/dbraw/zinc/91/51/46/598915146.db2.gz VCYCLHVNRKGCFH-UHFFFAOYSA-N -1 3 376.420 3.560 20 30 GHEDHM CCCCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736452356 598915147 /nfs/dbraw/zinc/91/51/47/598915147.db2.gz VCYCLHVNRKGCFH-UHFFFAOYSA-N -1 3 376.420 3.560 20 30 GHEDHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000737279867 598915239 /nfs/dbraw/zinc/91/52/39/598915239.db2.gz SKWKQIFAFNBRQX-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000737279867 598915241 /nfs/dbraw/zinc/91/52/41/598915241.db2.gz SKWKQIFAFNBRQX-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)c1cccs1 ZINC000735420300 598923882 /nfs/dbraw/zinc/92/38/82/598923882.db2.gz OHLIZWFLKFZRGW-UHFFFAOYSA-N -1 3 396.520 3.604 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)c1cccs1 ZINC000735420300 598923884 /nfs/dbraw/zinc/92/38/84/598923884.db2.gz OHLIZWFLKFZRGW-UHFFFAOYSA-N -1 3 396.520 3.604 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Br)cc1 ZINC000823503304 599114043 /nfs/dbraw/zinc/11/40/43/599114043.db2.gz CVIBURFPYPOPJH-LCYFTJDESA-N -1 3 381.233 3.842 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Br)cc1 ZINC000823503304 599114045 /nfs/dbraw/zinc/11/40/45/599114045.db2.gz CVIBURFPYPOPJH-LCYFTJDESA-N -1 3 381.233 3.842 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(Cl)c1OC ZINC000821786672 599113676 /nfs/dbraw/zinc/11/36/76/599113676.db2.gz HLRBPJJWUFWNDB-JLHYYAGUSA-N -1 3 396.834 3.750 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(Cl)c1OC ZINC000821786672 599113679 /nfs/dbraw/zinc/11/36/79/599113679.db2.gz HLRBPJJWUFWNDB-JLHYYAGUSA-N -1 3 396.834 3.750 20 30 GHEDHM COc1ccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000737118912 599151062 /nfs/dbraw/zinc/15/10/62/599151062.db2.gz JLCXNHOPOZCODY-OQFOIZHKSA-N -1 3 386.411 3.933 20 30 GHEDHM COc1ccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000737118912 599151065 /nfs/dbraw/zinc/15/10/65/599151065.db2.gz JLCXNHOPOZCODY-OQFOIZHKSA-N -1 3 386.411 3.933 20 30 GHEDHM COc1ccc(C=C2CSc3c(Cl)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737084509 599155987 /nfs/dbraw/zinc/15/59/87/599155987.db2.gz USPCJZPZFJUXLX-YRNVUSSQSA-N -1 3 384.848 3.901 20 30 GHEDHM COc1ccc(C=C2CSc3c(Cl)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737084509 599155988 /nfs/dbraw/zinc/15/59/88/599155988.db2.gz USPCJZPZFJUXLX-YRNVUSSQSA-N -1 3 384.848 3.901 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737264911 599157831 /nfs/dbraw/zinc/15/78/31/599157831.db2.gz VXFUNVMWOWYPKL-POHAHGRESA-N -1 3 388.406 3.704 20 30 GHEDHM COc1ccc2cc(C=CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000737119005 599194027 /nfs/dbraw/zinc/19/40/27/599194027.db2.gz JXGCEOASXGTAGH-YCRREMRBSA-N -1 3 396.410 3.552 20 30 GHEDHM COc1ccc2cc(C=CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000737119005 599194029 /nfs/dbraw/zinc/19/40/29/599194029.db2.gz JXGCEOASXGTAGH-YCRREMRBSA-N -1 3 396.410 3.552 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716695 599199038 /nfs/dbraw/zinc/19/90/38/599199038.db2.gz UHUDHLORSUOTCD-UXHICEINSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716695 599199040 /nfs/dbraw/zinc/19/90/40/599199040.db2.gz UHUDHLORSUOTCD-UXHICEINSA-N -1 3 380.411 3.634 20 30 GHEDHM C[C@H](CC#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735975523 599219896 /nfs/dbraw/zinc/21/98/96/599219896.db2.gz OZJITUREVJRUBO-LLVKDONJSA-N -1 3 383.795 3.771 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1cc(-c2nnn[n-]2)ccc1F ZINC000737697051 599238162 /nfs/dbraw/zinc/23/81/62/599238162.db2.gz BWPJEWCPCKJYHH-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1cc(-c2nn[n-]n2)ccc1F ZINC000737697051 599238164 /nfs/dbraw/zinc/23/81/64/599238164.db2.gz BWPJEWCPCKJYHH-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM Fc1cc(-c2nn[n-]n2)ccc1N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000737640720 598240540 /nfs/dbraw/zinc/24/05/40/598240540.db2.gz NJQZHHXXMQWCDE-DTORHVGOSA-N -1 3 383.271 3.573 20 30 GHEDHM CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736742129 598282036 /nfs/dbraw/zinc/28/20/36/598282036.db2.gz LQMDTTDGFDZWEB-UHFFFAOYSA-N -1 3 397.413 3.682 20 30 GHEDHM CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742129 598282037 /nfs/dbraw/zinc/28/20/37/598282037.db2.gz LQMDTTDGFDZWEB-UHFFFAOYSA-N -1 3 397.413 3.682 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(CSC)cc1 ZINC000735420884 598475787 /nfs/dbraw/zinc/47/57/87/598475787.db2.gz VHWPJWFHXODOPL-UHFFFAOYSA-N -1 3 394.504 3.950 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(CSC)cc1 ZINC000735420884 598475788 /nfs/dbraw/zinc/47/57/88/598475788.db2.gz VHWPJWFHXODOPL-UHFFFAOYSA-N -1 3 394.504 3.950 20 30 GHEDHM N#CCCSc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737695846 598495774 /nfs/dbraw/zinc/49/57/74/598495774.db2.gz WTQYSPVLIZEOFY-KHPPLWFESA-N -1 3 376.445 3.524 20 30 GHEDHM N#CCCSc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737695846 598495775 /nfs/dbraw/zinc/49/57/75/598495775.db2.gz WTQYSPVLIZEOFY-KHPPLWFESA-N -1 3 376.445 3.524 20 30 GHEDHM C[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820689889 599620627 /nfs/dbraw/zinc/62/06/27/599620627.db2.gz DGTZSZLGBYRPRU-WQVCFCJDSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820689889 599620628 /nfs/dbraw/zinc/62/06/28/599620628.db2.gz DGTZSZLGBYRPRU-WQVCFCJDSA-N -1 3 392.488 3.993 20 30 GHEDHM Cc1cc(F)ccc1N(CCCSCC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822205920 599690614 /nfs/dbraw/zinc/69/06/14/599690614.db2.gz NKAZHDVZHKRPCT-UHFFFAOYSA-N -1 3 396.495 3.968 20 30 GHEDHM Cc1cc(F)ccc1N(CCCSCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822205920 599690615 /nfs/dbraw/zinc/69/06/15/599690615.db2.gz NKAZHDVZHKRPCT-UHFFFAOYSA-N -1 3 396.495 3.968 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3ccncc3)cc2)cc1-c1nnn[n-]1 ZINC000821786862 599691655 /nfs/dbraw/zinc/69/16/55/599691655.db2.gz KQLLLGWVDXFGLW-KRXBUXKQSA-N -1 3 383.411 3.833 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3ccncc3)cc2)cc1-c1nn[n-]n1 ZINC000821786862 599691656 /nfs/dbraw/zinc/69/16/56/599691656.db2.gz KQLLLGWVDXFGLW-KRXBUXKQSA-N -1 3 383.411 3.833 20 30 GHEDHM O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922295 599691714 /nfs/dbraw/zinc/69/17/14/599691714.db2.gz FGHVWXXIRDEREJ-PKNBQFBNSA-N -1 3 387.355 3.931 20 30 GHEDHM O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922295 599691715 /nfs/dbraw/zinc/69/17/15/599691715.db2.gz FGHVWXXIRDEREJ-PKNBQFBNSA-N -1 3 387.355 3.931 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000736849529 600437676 /nfs/dbraw/zinc/43/76/76/600437676.db2.gz UCZLZLBAUUKVTD-APWZRJJASA-N -1 3 388.851 3.945 20 30 GHEDHM Cc1ccc(C(=O)C2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c(C)c1 ZINC000832910687 601311659 /nfs/dbraw/zinc/31/16/59/601311659.db2.gz AMABGLOZQANWNR-NRFANRHFSA-N -1 3 376.456 3.896 20 30 GHEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000833074287 601312973 /nfs/dbraw/zinc/31/29/73/601312973.db2.gz UGDNWGRPYJQWFN-IBGZPJMESA-N -1 3 382.847 3.932 20 30 GHEDHM COc1ccc(Br)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826187064 607645941 /nfs/dbraw/zinc/64/59/41/607645941.db2.gz YGYDPSLXZFOEBE-RMKNXTFCSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(Br)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826187064 607645942 /nfs/dbraw/zinc/64/59/42/607645942.db2.gz YGYDPSLXZFOEBE-RMKNXTFCSA-N -1 3 385.221 3.534 20 30 GHEDHM N#Cc1ccccc1-c1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822837376 606143075 /nfs/dbraw/zinc/14/30/75/606143075.db2.gz LRLUZENHXFJDAJ-UHFFFAOYSA-N -1 3 395.422 3.691 20 30 GHEDHM N#Cc1ccccc1-c1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822837376 606143076 /nfs/dbraw/zinc/14/30/76/606143076.db2.gz LRLUZENHXFJDAJ-UHFFFAOYSA-N -1 3 395.422 3.691 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822486625 606305682 /nfs/dbraw/zinc/30/56/82/606305682.db2.gz QPNNSKVDXPKOSR-HJWRWDBZSA-N -1 3 376.445 3.627 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822486625 606305684 /nfs/dbraw/zinc/30/56/84/606305684.db2.gz QPNNSKVDXPKOSR-HJWRWDBZSA-N -1 3 376.445 3.627 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000821702967 606430376 /nfs/dbraw/zinc/43/03/76/606430376.db2.gz JDGHNDLUCITUCK-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000821702967 606430378 /nfs/dbraw/zinc/43/03/78/606430378.db2.gz JDGHNDLUCITUCK-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cc(F)ccc2C#N)n1 ZINC000822191676 607037979 /nfs/dbraw/zinc/03/79/79/607037979.db2.gz NSZUKGOHQFUJSX-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM C[C@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(C)(C)C#N ZINC000824723350 607806055 /nfs/dbraw/zinc/80/60/55/607806055.db2.gz QIBRFBVATWJLPF-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(C)(C)C#N ZINC000824723350 607806056 /nfs/dbraw/zinc/80/60/56/607806056.db2.gz QIBRFBVATWJLPF-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM O=[N+]([O-])c1ccccc1C[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826499974 607808522 /nfs/dbraw/zinc/80/85/22/607808522.db2.gz HAXFEUJGAIXCCY-CQSZACIVSA-N -1 3 377.408 3.586 20 30 GHEDHM O=[N+]([O-])c1ccccc1C[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826499974 607808523 /nfs/dbraw/zinc/80/85/23/607808523.db2.gz HAXFEUJGAIXCCY-CQSZACIVSA-N -1 3 377.408 3.586 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)OCC ZINC000823873487 607894428 /nfs/dbraw/zinc/89/44/28/607894428.db2.gz MVDVXHBAOWPDFQ-LJQANCHMSA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)OCC ZINC000823873487 607894429 /nfs/dbraw/zinc/89/44/29/607894429.db2.gz MVDVXHBAOWPDFQ-LJQANCHMSA-N -1 3 393.447 3.969 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000826400884 607915992 /nfs/dbraw/zinc/91/59/92/607915992.db2.gz KLXBIBPMIPHOMF-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000826400884 607915993 /nfs/dbraw/zinc/91/59/93/607915993.db2.gz KLXBIBPMIPHOMF-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000826382215 607979756 /nfs/dbraw/zinc/97/97/56/607979756.db2.gz UBKCGNYYPGDSTN-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000826382215 607979757 /nfs/dbraw/zinc/97/97/57/607979757.db2.gz UBKCGNYYPGDSTN-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM C[C@H](C#N)CN(C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824034024 608057192 /nfs/dbraw/zinc/05/71/92/608057192.db2.gz FTEFGCFMKLFOSC-GFCCVEGCSA-N -1 3 396.838 3.544 20 30 GHEDHM C[C@H](C#N)CN(C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824034024 608057193 /nfs/dbraw/zinc/05/71/93/608057193.db2.gz FTEFGCFMKLFOSC-GFCCVEGCSA-N -1 3 396.838 3.544 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000825038723 608228321 /nfs/dbraw/zinc/22/83/21/608228321.db2.gz HAIUELLPBLEBAX-KRWDZBQOSA-N -1 3 385.431 3.708 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000825038723 608228323 /nfs/dbraw/zinc/22/83/23/608228323.db2.gz HAIUELLPBLEBAX-KRWDZBQOSA-N -1 3 385.431 3.708 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(-c2ccncc2)cc1 ZINC000823953664 608538236 /nfs/dbraw/zinc/53/82/36/608538236.db2.gz KURJBVGHRSFLOP-UHFFFAOYSA-N -1 3 390.838 3.813 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(-c2ccncc2)cc1 ZINC000823953664 608538239 /nfs/dbraw/zinc/53/82/39/608538239.db2.gz KURJBVGHRSFLOP-UHFFFAOYSA-N -1 3 390.838 3.813 20 30 GHEDHM C[C@@H](C#N)CN(Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000824034455 608742812 /nfs/dbraw/zinc/74/28/12/608742812.db2.gz KAPOXFJMXBKIBV-INIZCTEOSA-N -1 3 388.475 3.570 20 30 GHEDHM C[C@@H](C#N)CN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000824034455 608742817 /nfs/dbraw/zinc/74/28/17/608742817.db2.gz KAPOXFJMXBKIBV-INIZCTEOSA-N -1 3 388.475 3.570 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824114389 609269358 /nfs/dbraw/zinc/26/93/58/609269358.db2.gz QVYVKTHJVNCIRX-JXMROGBWSA-N -1 3 394.406 3.857 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824114389 609269360 /nfs/dbraw/zinc/26/93/60/609269360.db2.gz QVYVKTHJVNCIRX-JXMROGBWSA-N -1 3 394.406 3.857 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(Cl)s2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359284 609308019 /nfs/dbraw/zinc/30/80/19/609308019.db2.gz BMRBWCYRPIJSOQ-SREVYHEPSA-N -1 3 396.863 3.878 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(Cl)s2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359284 609308021 /nfs/dbraw/zinc/30/80/21/609308021.db2.gz BMRBWCYRPIJSOQ-SREVYHEPSA-N -1 3 396.863 3.878 20 30 GHEDHM N#Cc1ccc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000826385953 609451407 /nfs/dbraw/zinc/45/14/07/609451407.db2.gz JAATWSICUPWKKG-UHFFFAOYSA-N -1 3 389.362 3.732 20 30 GHEDHM N#Cc1ccc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000826385953 609451409 /nfs/dbraw/zinc/45/14/09/609451409.db2.gz JAATWSICUPWKKG-UHFFFAOYSA-N -1 3 389.362 3.732 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC1CCCCC1)c1ccccn1 ZINC000157573387 835248211 /nfs/dbraw/zinc/24/82/11/835248211.db2.gz YMCDCUCERTYIKX-UHFFFAOYSA-N -1 3 392.503 3.805 20 30 GHEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccc2c1=O ZINC000647374482 835507688 /nfs/dbraw/zinc/50/76/88/835507688.db2.gz DSDSWWXSGVSUOE-INIZCTEOSA-N -1 3 392.484 3.876 20 30 GHEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(Cl)c(OC)c1 ZINC000413960483 836926787 /nfs/dbraw/zinc/92/67/87/836926787.db2.gz RTPGUAHYHWEQSO-UHFFFAOYSA-N -1 3 389.839 3.518 20 30 GHEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ncccc1[O-] ZINC000471287313 836968005 /nfs/dbraw/zinc/96/80/05/836968005.db2.gz NHQXVXPMGLNCBY-UHFFFAOYSA-N -1 3 388.427 3.868 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2ccccc2F)nc1)c1nnc2n1CCCCC2 ZINC000659050238 837380012 /nfs/dbraw/zinc/38/00/12/837380012.db2.gz GTZFBGKQPFMYJG-OAHLLOKOSA-N -1 3 391.406 3.821 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(-c2ccccc2)s1 ZINC000047542639 840964600 /nfs/dbraw/zinc/96/46/00/840964600.db2.gz FZLVSTPOOZYWAW-UHFFFAOYSA-N -1 3 378.457 3.558 20 30 GHEDHM COc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OCCCC#N ZINC000417617777 841058493 /nfs/dbraw/zinc/05/84/93/841058493.db2.gz CMEONUCULBRNRJ-RBUKOAKNSA-N -1 3 380.444 3.781 20 30 GHEDHM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125087974 841280227 /nfs/dbraw/zinc/28/02/27/841280227.db2.gz RYJNVNJXEPVUAF-CQSZACIVSA-N -1 3 380.404 3.614 20 30 GHEDHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135374864 843133042 /nfs/dbraw/zinc/13/30/42/843133042.db2.gz LMPNKHRVLLSXBP-UHFFFAOYSA-N -1 3 375.244 3.631 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000730996621 861397554 /nfs/dbraw/zinc/39/75/54/861397554.db2.gz VYWSKXDSMMPJRN-UHFFFAOYSA-N -1 3 387.791 3.754 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000280035903 846270296 /nfs/dbraw/zinc/27/02/96/846270296.db2.gz RVAWKKVLSFEJSQ-AEFFLSMTSA-N -1 3 381.451 3.800 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1CC1(O)CCCCC1 ZINC000899748811 861710689 /nfs/dbraw/zinc/71/06/89/861710689.db2.gz FYXGCKRFVFUCQO-SFHVURJKSA-N -1 3 399.535 3.675 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ncc(-c2ccccc2)o1 ZINC000183712318 846936259 /nfs/dbraw/zinc/93/62/59/846936259.db2.gz OTBZLBCMQPXTHF-LBPRGKRZSA-N -1 3 387.848 3.906 20 30 GHEDHM CC[C@H]1C[C@@]1(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc(C)c1 ZINC000501654944 847076325 /nfs/dbraw/zinc/07/63/25/847076325.db2.gz DFZUIAWOCXCSFX-SBUREZEXSA-N -1 3 377.488 3.958 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)ccc1F ZINC000480001551 848022249 /nfs/dbraw/zinc/02/22/49/848022249.db2.gz ZALSSUQKHHSYKB-MRXNPFEDSA-N -1 3 386.370 3.539 20 30 GHEDHM COc1cc(Cl)ccc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000278233458 849779476 /nfs/dbraw/zinc/77/94/76/849779476.db2.gz PXLJBMGVGASDPD-UHFFFAOYSA-N -1 3 384.823 3.773 20 30 GHEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000514699414 850186582 /nfs/dbraw/zinc/18/65/82/850186582.db2.gz WNWPMMOYFIJDEN-YGRLFVJLSA-N -1 3 391.718 3.853 20 30 GHEDHM C[C@H]([N-]C(=O)c1cc(F)c(C(F)(F)F)cc1F)c1noc(C(F)(F)F)n1 ZINC000910750918 851366114 /nfs/dbraw/zinc/36/61/14/851366114.db2.gz ASSSJSUJKBMRQI-BYPYZUCNSA-N -1 3 389.202 3.876 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2ccoc2Br)c(C#N)c1C ZINC000319976798 852348650 /nfs/dbraw/zinc/34/86/50/852348650.db2.gz LRBSVAWDRLAZJB-UHFFFAOYSA-N -1 3 383.223 3.713 20 30 GHEDHM COc1cc2nc(N=Cc3cc(Br)ccc3[O-])[nH]c2cc1OC ZINC000732713455 862440482 /nfs/dbraw/zinc/44/04/82/862440482.db2.gz DWMKZNXHVWSBAE-UHFFFAOYSA-N -1 3 376.210 3.799 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000045152996 854341694 /nfs/dbraw/zinc/34/16/94/854341694.db2.gz FNJDIQQJVJSQFL-IBGZPJMESA-N -1 3 383.879 3.813 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2oc(CC(C)C)nc2C)c(C#N)c1C ZINC000616155980 855069486 /nfs/dbraw/zinc/06/94/86/855069486.db2.gz JDRAIDISSRFRPQ-UHFFFAOYSA-N -1 3 375.450 3.852 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2)cc(=O)[n-]1 ZINC000330190141 862649167 /nfs/dbraw/zinc/64/91/67/862649167.db2.gz VXLXMBDKUJCVAJ-QGZVFWFLSA-N -1 3 382.464 3.975 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000109398895 856294238 /nfs/dbraw/zinc/29/42/38/856294238.db2.gz JRSWESSDRZBSRE-HXUWFJFHSA-N -1 3 377.488 3.725 20 30 GHEDHM CCOc1cc(C(=O)[N-]c2sc(C)c(C)c2C#N)c([N+](=O)[O-])cc1OC ZINC000026767494 856356793 /nfs/dbraw/zinc/35/67/93/856356793.db2.gz RHAOSXOXQNZZOL-UHFFFAOYSA-N -1 3 375.406 3.804 20 30 GHEDHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427751343 856668303 /nfs/dbraw/zinc/66/83/03/856668303.db2.gz CGACDJDSOKHRKL-CQSZACIVSA-N -1 3 387.480 3.858 20 30 GHEDHM COc1ccc(C=NNCc2cccc3cccnc32)c(Br)c1[O-] ZINC000761014457 857394725 /nfs/dbraw/zinc/39/47/25/857394725.db2.gz ZGIUBOKURFLLSD-UHFFFAOYSA-N -1 3 386.249 3.835 20 30 GHEDHM Cc1ccsc1[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428272827 858511273 /nfs/dbraw/zinc/51/12/73/858511273.db2.gz XEURWEHOZKUREX-INIZCTEOSA-N -1 3 383.498 3.586 20 30 GHEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc21 ZINC000593166448 858866383 /nfs/dbraw/zinc/86/63/83/858866383.db2.gz XIBCQCYRPUEEIN-VHSXEESVSA-N -1 3 378.475 3.554 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1-c1ccn(C)n1 ZINC000483235400 859230946 /nfs/dbraw/zinc/23/09/46/859230946.db2.gz SYNQIVZXWRLFRL-INIZCTEOSA-N -1 3 383.411 3.529 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1-c1ccnn1C ZINC000483236461 859231624 /nfs/dbraw/zinc/23/16/24/859231624.db2.gz MWXLXIKQMAYMFJ-MRXNPFEDSA-N -1 3 383.411 3.529 20 30 GHEDHM COc1cc(C=NNCc2cnc3ccccc3c2)cc(Br)c1[O-] ZINC000764775357 859606654 /nfs/dbraw/zinc/60/66/54/859606654.db2.gz JTVUPTJNOHLYIJ-UHFFFAOYSA-N -1 3 386.249 3.835 20 30 GHEDHM CCCn1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)nn1 ZINC000611228166 859651267 /nfs/dbraw/zinc/65/12/67/859651267.db2.gz MJPVWCLBXDKFLS-UHFFFAOYSA-N -1 3 383.399 3.965 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=C2CCc3c2cccc3O)cc1 ZINC000727058017 859911059 /nfs/dbraw/zinc/91/10/59/859911059.db2.gz BYZAIGJVMCBKPR-UHFFFAOYSA-N -1 3 393.468 3.955 20 30 GHEDHM C=CCN(CC1CCCCC1)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000171957205 860062740 /nfs/dbraw/zinc/06/27/40/860062740.db2.gz IDXVPHKEVWHFGD-UHFFFAOYSA-N -1 3 394.519 3.668 20 30 GHEDHM N#Cc1ccccc1N1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598661269 860477035 /nfs/dbraw/zinc/47/70/35/860477035.db2.gz HVYMJQCNSJLCDA-UHFFFAOYSA-N -1 3 389.377 3.635 20 30 GHEDHM N#C[C@H]([N-]C(=O)C1(C(F)(F)F)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000598824916 860602283 /nfs/dbraw/zinc/60/22/83/860602283.db2.gz UTKBNEFQHDYRHQ-LBPRGKRZSA-N -1 3 380.288 3.745 20 30 GHEDHM COc1ccc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1Br ZINC000730548977 861162869 /nfs/dbraw/zinc/16/28/69/861162869.db2.gz PCZDYHFDRGRJMD-ZICXGBCOSA-N -1 3 379.254 3.539 20 30 GHEDHM COc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc2ccccc21 ZINC000734079658 863983082 /nfs/dbraw/zinc/98/30/82/863983082.db2.gz UBDDBOFYZYHZJK-CQSZACIVSA-N -1 3 379.803 3.858 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734890354 864504999 /nfs/dbraw/zinc/50/49/99/864504999.db2.gz WUWCADGSOPDHMF-UHFFFAOYSA-N -1 3 389.795 3.513 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456170037 866170427 /nfs/dbraw/zinc/17/04/27/866170427.db2.gz AYDALFYGJSMDDZ-UHFFFAOYSA-N -1 3 397.435 3.576 20 30 GHEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000479158895 867259135 /nfs/dbraw/zinc/25/91/35/867259135.db2.gz NCSCLBFGTFJLPS-YGRLFVJLSA-N -1 3 391.718 3.853 20 30 GHEDHM COc1cccc([C@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])N(C)C)c1 ZINC000005292346 882162146 /nfs/dbraw/zinc/16/21/46/882162146.db2.gz XCVJYHSIIQSHDL-MZYRPWKCSA-N -1 3 377.828 3.684 20 30 GHEDHM O=C1C(=N[N-]c2ncc(C(F)(F)F)cc2Cl)CCN1Cc1ccccc1 ZINC000743421336 868193449 /nfs/dbraw/zinc/19/34/49/868193449.db2.gz YNFFGBJCYGDROQ-UHFFFAOYSA-N -1 3 382.773 3.954 20 30 GHEDHM Cc1cc(F)ccc1-c1ccc(C=N[N-]S(=O)(=O)CCc2ccccc2)o1 ZINC000743448939 868197260 /nfs/dbraw/zinc/19/72/60/868197260.db2.gz HZAOGSJPCNSHJR-UHFFFAOYSA-N -1 3 386.448 3.890 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000540200085 870710457 /nfs/dbraw/zinc/71/04/57/870710457.db2.gz CHDDCNDMYKRCQF-UHFFFAOYSA-N -1 3 379.419 3.997 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1cccnc1 ZINC000102969136 870870177 /nfs/dbraw/zinc/87/01/77/870870177.db2.gz WUOIFJNFGSDDSM-JOCHJYFZSA-N -1 3 387.439 3.524 20 30 GHEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001193385762 871070662 /nfs/dbraw/zinc/07/06/62/871070662.db2.gz AJQNDBCVYHCDML-UHFFFAOYSA-N -1 3 391.287 3.628 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(NC(=O)C3CCCCC3)c2)c1[O-] ZINC000920991534 882482779 /nfs/dbraw/zinc/48/27/79/882482779.db2.gz UPBQKDRMFMTJPG-QRVIBDJDSA-N -1 3 381.476 3.726 20 30 GHEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccc([O-])cc1C(F)(F)F)CC2 ZINC001193749518 871289721 /nfs/dbraw/zinc/28/97/21/871289721.db2.gz OBQQXJDMCTZVAG-IBGZPJMESA-N -1 3 396.409 3.584 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1C(F)(F)F ZINC000443409977 872290665 /nfs/dbraw/zinc/29/06/65/872290665.db2.gz YKRBTBZAOMZGMH-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000746486357 872779057 /nfs/dbraw/zinc/77/90/57/872779057.db2.gz MJYIGZWIVPEPHQ-UHFFFAOYSA-N -1 3 395.762 3.936 20 30 GHEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619753319 872964021 /nfs/dbraw/zinc/96/40/21/872964021.db2.gz WGZACPNMCNZALB-UHFFFAOYSA-N -1 3 378.812 3.884 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccccc1C(C)(C)C#N ZINC000767999117 873010557 /nfs/dbraw/zinc/01/05/57/873010557.db2.gz SOBVNZALMKZELD-UHFFFAOYSA-N -1 3 377.444 3.753 20 30 GHEDHM C#Cc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182990990 873089810 /nfs/dbraw/zinc/08/98/10/873089810.db2.gz KULVUKUZVFJECJ-JOCHJYFZSA-N -1 3 384.435 3.873 20 30 GHEDHM Cc1ncc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(=O)[n-]1 ZINC000541477836 873655755 /nfs/dbraw/zinc/65/57/55/873655755.db2.gz HCEQVUZTPXCJDU-CQSZACIVSA-N -1 3 387.443 3.590 20 30 GHEDHM C[C@@](C#N)([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1Cl ZINC001197700660 873989104 /nfs/dbraw/zinc/98/91/04/873989104.db2.gz ZFQHBOVZTALRHY-INIZCTEOSA-N -1 3 387.263 3.991 20 30 GHEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)ccc1C#N ZINC001197753674 874029893 /nfs/dbraw/zinc/02/98/93/874029893.db2.gz XWRMWTVACWNGRQ-UHFFFAOYSA-N -1 3 399.255 3.594 20 30 GHEDHM CCC(C#N)(CC)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000528190889 874226015 /nfs/dbraw/zinc/22/60/15/874226015.db2.gz PBIDOPUEDSHWBL-UHFFFAOYSA-N -1 3 387.241 3.866 20 30 GHEDHM CCc1cc2c(CN3CCO[C@H](c4ccc(C#N)cc4)C3)cc(=O)oc2cc1[O-] ZINC001198219519 874279758 /nfs/dbraw/zinc/27/97/58/874279758.db2.gz PFKGJDOWRCJKID-QFIPXVFZSA-N -1 3 390.439 3.506 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775935808 874825388 /nfs/dbraw/zinc/82/53/88/874825388.db2.gz PFDDFUIMCWGMJB-CQSZACIVSA-N -1 3 386.835 3.846 20 30 GHEDHM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1Cl ZINC001201319921 875631039 /nfs/dbraw/zinc/63/10/39/875631039.db2.gz LYXRZXLSJSSQDJ-UHFFFAOYSA-N -1 3 378.837 3.532 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-][C@@H](Cc1ccc(C)cn1)C(=O)OC ZINC001201837717 875899686 /nfs/dbraw/zinc/89/96/86/875899686.db2.gz KFVNWLXFOVVUMT-IBGZPJMESA-N -1 3 398.569 3.534 20 30 GHEDHM COc1cc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc(Cl)c1[O-] ZINC000106404104 876023054 /nfs/dbraw/zinc/02/30/54/876023054.db2.gz NTAOJSNAQKPOSW-FARCUNLSSA-N -1 3 387.863 3.911 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccn2Cc2cccs2)n1 ZINC000067897151 877611736 /nfs/dbraw/zinc/61/17/36/877611736.db2.gz LGAQUDCXRZJWGH-CYBMUJFWSA-N -1 3 385.470 3.721 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c(C(F)(F)F)c1 ZINC000451638762 878280242 /nfs/dbraw/zinc/28/02/42/878280242.db2.gz FRRBFHCIWJHVNK-NSHDSACASA-N -1 3 382.354 3.681 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2c[nH]c3ccc(F)cc23)c(C)c1[O-] ZINC001183354671 912431663 /nfs/dbraw/zinc/43/16/63/912431663.db2.gz IATVLDDLNYZXIE-UHFFFAOYSA-N -1 3 395.390 3.551 20 30 GHEDHM CC[C@@H]([N-]C(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)F ZINC000452267214 879229380 /nfs/dbraw/zinc/22/93/80/879229380.db2.gz UPGKVELKSUTKSO-BXKDBHETSA-N -1 3 378.263 3.582 20 30 GHEDHM O=C(CCOCC(F)(F)C(F)(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000790806857 879982768 /nfs/dbraw/zinc/98/27/68/879982768.db2.gz MLTLISCPERHRKP-UHFFFAOYSA-N -1 3 395.246 3.858 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000747018206 880461643 /nfs/dbraw/zinc/46/16/43/880461643.db2.gz BWGZSVNMIWBFGU-OAHLLOKOSA-N -1 3 382.782 3.626 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)c2ccccc2)ccc1F ZINC000914513724 883971813 /nfs/dbraw/zinc/97/18/13/883971813.db2.gz GQZABHQMRVJPNB-UHFFFAOYSA-N -1 3 390.480 3.593 20 30 GHEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1OC ZINC000064446693 884283578 /nfs/dbraw/zinc/28/35/78/884283578.db2.gz XCOGWSDKJSUPTR-UHFFFAOYSA-N -1 3 391.427 3.571 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/CCCn1cc(Br)cn1 ZINC000806551843 884804419 /nfs/dbraw/zinc/80/44/19/884804419.db2.gz NWNJLOZDGVIRML-FRKPEAEDSA-N -1 3 387.075 3.623 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(=O)[n-]1 ZINC000104416965 885424445 /nfs/dbraw/zinc/42/44/45/885424445.db2.gz HPAPWNNMIDVLSH-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1O ZINC001184072951 912975499 /nfs/dbraw/zinc/97/54/99/912975499.db2.gz BPWXUBPRDDQLAT-MRXNPFEDSA-N -1 3 397.431 3.564 20 30 GHEDHM CC(C)[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC001184235715 913092362 /nfs/dbraw/zinc/09/23/62/913092362.db2.gz NGONIMLFOBQOHK-XNJGSVPQSA-N -1 3 389.323 3.845 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1cccc(C#N)n1 ZINC000810529784 888602469 /nfs/dbraw/zinc/60/24/69/888602469.db2.gz NXTZGEMJKLDWOQ-QGZVFWFLSA-N -1 3 382.379 3.707 20 30 GHEDHM CCCOc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000916321147 888922939 /nfs/dbraw/zinc/92/29/39/888922939.db2.gz SLBLGGSTNQSRLW-SFHVURJKSA-N -1 3 396.472 3.750 20 30 GHEDHM CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794934569 888950339 /nfs/dbraw/zinc/95/03/39/888950339.db2.gz UJMFNUMRSCGOQA-PKNBQFBNSA-N -1 3 389.398 3.814 20 30 GHEDHM C=CCC[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000810901991 889012174 /nfs/dbraw/zinc/01/21/74/889012174.db2.gz BFMQYPMAMGQFBI-WBVHZDCISA-N -1 3 382.426 3.654 20 30 GHEDHM COc1ccc(-c2nc(COC(=O)c3cc([O-])cc(C#N)c3)cs2)c(OC)c1 ZINC000811186200 889273515 /nfs/dbraw/zinc/27/35/15/889273515.db2.gz GNXZIWIFTFXLCC-UHFFFAOYSA-N -1 3 396.424 3.762 20 30 GHEDHM COc1ccccc1[C@@H](CC(C)C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000173580749 889698321 /nfs/dbraw/zinc/69/83/21/889698321.db2.gz HMAATUVMKTWCMZ-HXUWFJFHSA-N -1 3 395.503 3.708 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000916905885 890402535 /nfs/dbraw/zinc/40/25/35/890402535.db2.gz NYGNLFIZKKGWHX-GFCCVEGCSA-N -1 3 387.779 3.608 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C(C)C)nc2C)cc1OC ZINC000916933732 890425779 /nfs/dbraw/zinc/42/57/79/890425779.db2.gz CKOMVBSPWYTAIY-ZDUSSCGKSA-N -1 3 387.461 3.553 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CSc2ccccc2)cc1 ZINC000916942904 890580287 /nfs/dbraw/zinc/58/02/87/890580287.db2.gz PFCZAMJCSVPNTG-HHNLSAEISA-N -1 3 394.452 3.817 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cccc2c1OCO2 ZINC000917424059 891980318 /nfs/dbraw/zinc/98/03/18/891980318.db2.gz AKJCNCOCKBNHRJ-CYBMUJFWSA-N -1 3 390.367 3.691 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-]N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000814802519 893187339 /nfs/dbraw/zinc/18/73/39/893187339.db2.gz LHNTYDLNCLAYDE-UHFFFAOYSA-N -1 3 385.458 3.636 20 30 GHEDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3cnc(C4CC4)o3)c(C#N)c21 ZINC001185196246 913750850 /nfs/dbraw/zinc/75/08/50/913750850.db2.gz FFMUSENCTYQQMD-NSHDSACASA-N -1 3 385.445 3.720 20 30 GHEDHM C=CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000918504316 893813371 /nfs/dbraw/zinc/81/33/71/893813371.db2.gz LPERIXHUKDQPJB-UHFFFAOYSA-N -1 3 375.446 3.537 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])c(C)cc1C ZINC000817713308 895860710 /nfs/dbraw/zinc/86/07/10/895860710.db2.gz BMVLMMKZEMYBAJ-OAHLLOKOSA-N -1 3 381.388 3.572 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(OC(F)F)c1 ZINC000826190892 895973480 /nfs/dbraw/zinc/97/34/80/895973480.db2.gz QFQLCPNNLUWTMG-QPJJXVBHSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(OC(F)F)c1 ZINC000826190892 895973497 /nfs/dbraw/zinc/97/34/97/895973497.db2.gz QFQLCPNNLUWTMG-QPJJXVBHSA-N -1 3 390.321 3.512 20 30 GHEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 ZINC000820184941 897219979 /nfs/dbraw/zinc/21/99/79/897219979.db2.gz GBQJAGJVSASWNZ-OAHLLOKOSA-N -1 3 383.206 3.519 20 30 GHEDHM CC(C)C[C@](C)(C#N)NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185941256 914184963 /nfs/dbraw/zinc/18/49/63/914184963.db2.gz YVNRUHNWSIHRRV-JOCHJYFZSA-N -1 3 387.524 3.907 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826332586 897734180 /nfs/dbraw/zinc/73/41/80/897734180.db2.gz YMKGQLVZJRDBRL-KHPPLWFESA-N -1 3 388.406 3.704 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826332586 897734184 /nfs/dbraw/zinc/73/41/84/897734184.db2.gz YMKGQLVZJRDBRL-KHPPLWFESA-N -1 3 388.406 3.704 20 30 GHEDHM Cc1[nH]c(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])c(C#N)c1C ZINC001185929212 914207838 /nfs/dbraw/zinc/20/78/38/914207838.db2.gz AEVABRHTPBPIIW-UHFFFAOYSA-N -1 3 396.491 3.918 20 30 GHEDHM Cc1ccc(Br)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000121356389 900009500 /nfs/dbraw/zinc/00/95/00/900009500.db2.gz IVTMNVOCWWVLSI-UHFFFAOYSA-N -1 3 388.265 3.506 20 30 GHEDHM COc1ccc(CCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000778859916 900716448 /nfs/dbraw/zinc/71/64/48/900716448.db2.gz MVVMSWUVKLUIPF-UHFFFAOYSA-N -1 3 382.460 3.701 20 30 GHEDHM N#CC(C(=O)CCC(=O)c1ccc(F)c(F)c1)=C([O-])C1(c2ccccc2)CC1 ZINC000845840805 902458812 /nfs/dbraw/zinc/45/88/12/902458812.db2.gz FWYFBVBXXMJCON-INIZCTEOSA-N -1 3 381.378 3.937 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(=O)c1ccc(F)c(F)c1 ZINC000845840805 902458817 /nfs/dbraw/zinc/45/88/17/902458817.db2.gz FWYFBVBXXMJCON-INIZCTEOSA-N -1 3 381.378 3.937 20 30 GHEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3cc(F)c([O-])cc3F)CC2)C1 ZINC001144646602 902551593 /nfs/dbraw/zinc/55/15/93/902551593.db2.gz DAPKWKCBGCTJAF-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCCCC1 ZINC000577676449 903036901 /nfs/dbraw/zinc/03/69/01/903036901.db2.gz FIEVRDIJBZRUPB-LBPRGKRZSA-N -1 3 391.718 3.853 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)c(Cl)c1Cl ZINC001186733125 914752471 /nfs/dbraw/zinc/75/24/71/914752471.db2.gz COWNWMSLCFRLJS-QMMMGPOBSA-N -1 3 390.679 3.953 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000193402477 908334002 /nfs/dbraw/zinc/33/40/02/908334002.db2.gz UJGAEOUIXZQOQP-KRWDZBQOSA-N -1 3 378.819 3.795 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000193403400 908334307 /nfs/dbraw/zinc/33/43/07/908334307.db2.gz IEDSFTRQLDMJHJ-MRXNPFEDSA-N -1 3 382.782 3.626 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000266865899 909324106 /nfs/dbraw/zinc/32/41/06/909324106.db2.gz IOPQQUZABXXNST-IEBWSBKVSA-N -1 3 377.488 3.688 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cnc(C2OCCO2)s1 ZINC000283115794 911376067 /nfs/dbraw/zinc/37/60/67/911376067.db2.gz SDMJLHAHFXAOAP-LLVKDONJSA-N -1 3 375.475 3.693 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)ccc1F ZINC000303630720 915011960 /nfs/dbraw/zinc/01/19/60/915011960.db2.gz FMDKHGHQHBHFRM-MRXNPFEDSA-N -1 3 396.528 3.578 20 30 GHEDHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1 ZINC001187466467 915277976 /nfs/dbraw/zinc/27/79/76/915277976.db2.gz VAECIYYCTNDHIO-UHFFFAOYSA-N -1 3 394.399 3.589 20 30 GHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2)cc1F ZINC001188695873 916117268 /nfs/dbraw/zinc/11/72/68/916117268.db2.gz BSWCAJWZMOYYDA-UHFFFAOYSA-N -1 3 375.285 3.754 20 30 GHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2)cc1F ZINC001188695873 916117274 /nfs/dbraw/zinc/11/72/74/916117274.db2.gz BSWCAJWZMOYYDA-UHFFFAOYSA-N -1 3 375.285 3.754 20 30 GHEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC001189163992 916409622 /nfs/dbraw/zinc/40/96/22/916409622.db2.gz GLBDMVWEXIYPPA-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM O=S(=O)([N-]CC(F)(F)C(F)(F)C(F)(F)F)c1ccc(C2CC2)cc1 ZINC001190514510 917377278 /nfs/dbraw/zinc/37/72/78/917377278.db2.gz JMSMBXZGOPJBHK-UHFFFAOYSA-N -1 3 379.297 3.675 20 30 GHEDHM Cc1noc([N-]C(=O)c2cc(Cl)ncc2NC(=O)OC(C)(C)C)c1C#N ZINC001191021281 917709684 /nfs/dbraw/zinc/70/96/84/917709684.db2.gz AXVGNICMTSNORA-UHFFFAOYSA-N -1 3 377.788 3.502 20 30 GHEDHM O=C(Nc1ccccc1)N1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000800790065 920466020 /nfs/dbraw/zinc/46/60/20/920466020.db2.gz AYLRYDCZJKYOJC-VBNMEBLOSA-N -1 3 388.265 3.880 20 30 GHEDHM CO[C@@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(Cl)cc1 ZINC000801216109 920846252 /nfs/dbraw/zinc/84/62/52/920846252.db2.gz PUDBSSXJGDONGP-SFHVURJKSA-N -1 3 388.851 3.793 20 30 GHEDHM O=C(c1nn(-c2cccc(F)c2F)c2c1CCC2)N([O-])Cc1ccc(F)cc1 ZINC000901372496 921047624 /nfs/dbraw/zinc/04/76/24/921047624.db2.gz FFKURCMPSDKHOJ-UHFFFAOYSA-N -1 3 387.361 3.810 20 30 GHEDHM CC(=[NH+][N-]c1nnc(-c2ccccc2)n1C)c1ccc(N2CCCC2)cc1[O-] ZINC000748248988 923529768 /nfs/dbraw/zinc/52/97/68/923529768.db2.gz PEWODETXVSVREO-UHFFFAOYSA-N -1 3 376.464 3.624 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1C(F)(F)F ZINC000409550648 924752269 /nfs/dbraw/zinc/75/22/69/924752269.db2.gz FODPVBYWUVNVOG-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=Cc3ccccc3C#N)nc(=O)c2c1C ZINC000011250408 924753169 /nfs/dbraw/zinc/75/31/69/924753169.db2.gz AVDVSDNMPIFVAZ-IDVQTMNDSA-N -1 3 379.441 3.791 20 30 GHEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001276164660 926398198 /nfs/dbraw/zinc/39/81/98/926398198.db2.gz FRJWODRTTSVLCV-HNNXBMFYSA-N -1 3 396.318 3.721 20 30 GHEDHM Cc1oc(-c2ccsc2)nc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000726810516 926866916 /nfs/dbraw/zinc/86/69/16/926866916.db2.gz NYRUPSGBUZEEOH-UHFFFAOYSA-N -1 3 397.456 3.977 20 30 GHEDHM COc1cc(F)c([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)c1 ZINC000750320909 927554294 /nfs/dbraw/zinc/55/42/94/927554294.db2.gz NUPLDGUTMDBBKG-LBPRGKRZSA-N -1 3 390.386 3.800 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2nccn12 ZINC000780306115 927843349 /nfs/dbraw/zinc/84/33/49/927843349.db2.gz RDAIRSIYDMPMEK-JTQLQIEISA-N -1 3 393.255 3.972 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(O)cc1O ZINC000757460934 929712156 /nfs/dbraw/zinc/71/21/56/929712156.db2.gz IKSDRLFWQPCSMT-UHFFFAOYSA-N -1 3 397.456 3.735 20 30 GHEDHM COc1cc(C(=O)/C=C\c2c(Cl)n(C)nc2C(F)(F)F)c(OC)cc1[O-] ZINC000758931839 930218103 /nfs/dbraw/zinc/21/81/03/930218103.db2.gz PODGNPNRASGMME-PLNGDYQASA-N -1 3 390.745 3.711 20 30 GHEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000546631220 930310618 /nfs/dbraw/zinc/31/06/18/930310618.db2.gz BVQUVGQIWYQBAU-UHFFFAOYSA-N -1 3 378.222 3.980 20 30 GHEDHM CCOC(=O)COc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000783685598 931618481 /nfs/dbraw/zinc/61/84/81/931618481.db2.gz PMSCJKBESVRKEQ-UHFFFAOYSA-N -1 3 378.222 3.847 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(C(F)(F)F)cc1F ZINC000797005152 932142158 /nfs/dbraw/zinc/14/21/58/932142158.db2.gz QXCYHEWVIPXBLQ-UHFFFAOYSA-N -1 3 382.313 3.972 20 30 GHEDHM C=CCOc1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1Cl ZINC000798956091 932838630 /nfs/dbraw/zinc/83/86/30/932838630.db2.gz HICNTIFLMASNNI-UHFFFAOYSA-N -1 3 390.833 3.795 20 30 GHEDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000928968237 933181752 /nfs/dbraw/zinc/18/17/52/933181752.db2.gz BQHNOFWEGNLLCR-VVHFOWEKSA-N -1 3 386.279 3.798 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1[O-] ZINC000777873304 933820181 /nfs/dbraw/zinc/82/01/81/933820181.db2.gz LDQPKQIMNLYCOI-OFOCJOHBSA-N -1 3 380.275 3.593 20 30 GHEDHM C=CCN(C(=O)c1csc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC001573341454 947530414 /nfs/dbraw/zinc/53/04/14/947530414.db2.gz MXDUMJATHGIPFY-UHFFFAOYSA-N -1 3 394.485 3.885 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc2ccccc2cc1C ZINC001573342043 947535712 /nfs/dbraw/zinc/53/57/12/947535712.db2.gz SITVAZGECQECLK-UHFFFAOYSA-N -1 3 384.443 3.552 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc2ccccc2cc1C ZINC001573342043 947535727 /nfs/dbraw/zinc/53/57/27/947535727.db2.gz SITVAZGECQECLK-UHFFFAOYSA-N -1 3 384.443 3.552 20 30 GHEDHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3onc4ccccc43)c(C#N)c21 ZINC001154371157 1032067050 /nfs/dbraw/zinc/06/70/50/1032067050.db2.gz FATFLYBRAWOLDM-GFCCVEGCSA-N -1 3 395.440 3.996 20 30 GHEDHM C#CCOc1ccc(CNCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cc1 ZINC001588497437 983538479 /nfs/dbraw/zinc/53/84/79/983538479.db2.gz GGAZCYLRMVRNLH-UHFFFAOYSA-N -1 3 378.453 3.810 20 30 GHEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(C(=O)[O-])cs1 ZINC001588901069 984523167 /nfs/dbraw/zinc/52/31/67/984523167.db2.gz PHFNAGIEOWOZQU-UHFFFAOYSA-N -1 3 392.550 3.545 20 30 GHEDHM C[C@H](C(=O)[O-])[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001589470129 986953442 /nfs/dbraw/zinc/95/34/42/986953442.db2.gz WRNNQLKOJGJHQA-KBXCAEBGSA-N -1 3 377.362 3.988 20 30 GHEDHM N#Cc1cccc(OC2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)c1 ZINC000468909332 1016200468 /nfs/dbraw/zinc/20/04/68/1016200468.db2.gz IUPGKQNSPDSITL-UHFFFAOYSA-N -1 3 382.435 3.796 20 30 GHEDHM N#Cc1ccc2[n-]c(C(=O)N[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3c3ccccc3)cc(=O)c2c1 ZINC001154560465 1032183051 /nfs/dbraw/zinc/18/30/51/1032183051.db2.gz KNXHJRFJWSHMRE-TXKCWOHGSA-N -1 3 383.451 3.712 20 30 GHEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cccc([O-])c1I ZINC001227380345 1032396753 /nfs/dbraw/zinc/39/67/53/1032396753.db2.gz KRGKTUNNDFWXHC-JTQLQIEISA-N -1 3 390.217 3.662 20 30 GHEDHM CC(C)(C)NC(=O)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001155909110 1032784257 /nfs/dbraw/zinc/78/42/57/1032784257.db2.gz ILTWXJNIMZPTDV-UHFFFAOYSA-N -1 3 396.369 3.756 20 30 GHEDHM COc1cccc2cnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)nc21 ZINC001155909575 1032785604 /nfs/dbraw/zinc/78/56/04/1032785604.db2.gz QCBVMHYGZSLYKA-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM COc1ccc2cnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)nc2c1 ZINC001155909670 1032786168 /nfs/dbraw/zinc/78/61/68/1032786168.db2.gz VDJHDRXOTIGIHB-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM CCOc1cc(N2CCOC(C)(C)C2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000780146127 1021671436 /nfs/dbraw/zinc/67/14/36/1021671436.db2.gz FWPJPNCIYFPDIX-UHFFFAOYSA-N -1 3 386.448 3.568 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000835038750 1021795984 /nfs/dbraw/zinc/79/59/84/1021795984.db2.gz YTLQFZFHCUXHKQ-CQSZACIVSA-N -1 3 391.431 3.805 20 30 GHEDHM CC(C)OCCCn1c(=O)c2ccccc2nc1NN=Cc1ccc([O-])c(F)c1 ZINC000755606535 1023311272 /nfs/dbraw/zinc/31/12/72/1023311272.db2.gz HFZVXKDVLSLKBD-UHFFFAOYSA-N -1 3 398.438 3.502 20 30 GHEDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1C#N ZINC000756321478 1023589589 /nfs/dbraw/zinc/58/95/89/1023589589.db2.gz JSTSYSBORSFNIY-INIZCTEOSA-N -1 3 389.249 3.635 20 30 GHEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccccc1 ZINC000756975914 1023895145 /nfs/dbraw/zinc/89/51/45/1023895145.db2.gz PXXRYCJXJDOWBT-HNNXBMFYSA-N -1 3 378.837 3.600 20 30 GHEDHM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC001141380610 1024788611 /nfs/dbraw/zinc/78/86/11/1024788611.db2.gz WFUXWQVYLXADKS-HNNXBMFYSA-N -1 3 376.865 3.520 20 30 GHEDHM O=C(N[C@H]1CCN([O-])C1=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 ZINC001141380573 1024788658 /nfs/dbraw/zinc/78/86/58/1024788658.db2.gz UZCUDAIRKJUSBD-ZDUSSCGKSA-N -1 3 399.205 3.645 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC[C@@H](O)c2cc3ccccc3o2)n1 ZINC001162695325 1025881326 /nfs/dbraw/zinc/88/13/26/1025881326.db2.gz LCRWYNXPYUTFEX-FQDFOOGXSA-N -1 3 378.841 3.552 20 30 GHEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001141649218 1026055619 /nfs/dbraw/zinc/05/56/19/1026055619.db2.gz HIKAKHRGYKMHFL-UHFFFAOYSA-N -1 3 377.400 3.598 20 30 GHEDHM CC(C)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc(N(C)C)n1 ZINC001163765792 1026309419 /nfs/dbraw/zinc/30/94/19/1026309419.db2.gz KDPQJOLQSXCGJF-UHFFFAOYSA-N -1 3 383.374 3.813 20 30 GHEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000840711213 1027749610 /nfs/dbraw/zinc/74/96/10/1027749610.db2.gz XFBXNNWUAHAXBD-DFFLPDIBSA-N -1 3 387.277 3.940 20 30 GHEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)c1ccccc1 ZINC001211117880 1027795265 /nfs/dbraw/zinc/79/52/65/1027795265.db2.gz JXCQMVOBQAEJLN-INIZCTEOSA-N -1 3 395.427 3.737 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)cc1Cl ZINC001216121430 1029531640 /nfs/dbraw/zinc/53/16/40/1029531640.db2.gz OCIMSSNKXKIRLC-UHFFFAOYSA-N -1 3 384.186 3.762 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)cc1Cl ZINC001216121430 1029531646 /nfs/dbraw/zinc/53/16/46/1029531646.db2.gz OCIMSSNKXKIRLC-UHFFFAOYSA-N -1 3 384.186 3.762 20 30 GHEDHM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226482201 1031975422 /nfs/dbraw/zinc/97/54/22/1031975422.db2.gz KSGYWEZWVNVLSB-ZDUSSCGKSA-N -1 3 380.318 3.779 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226534634 1031999749 /nfs/dbraw/zinc/99/97/49/1031999749.db2.gz OIZKDCWMIJFDBQ-GOSISDBHSA-N -1 3 387.432 3.751 20 30 GHEDHM CCCCOc1cc(C(=O)N([O-])C(=N)c2ccccc2N)c2ccccc2n1 ZINC001154240455 1032000127 /nfs/dbraw/zinc/00/01/27/1032000127.db2.gz BORSBLNOIBHOCX-UHFFFAOYSA-N -1 3 378.432 3.853 20 30 GHEDHM CCOC(=O)C[C@@H](CC#N)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267094 1033380023 /nfs/dbraw/zinc/38/00/23/1033380023.db2.gz HZMTXJYUZHOCOC-OAHLLOKOSA-N -1 3 393.395 3.780 20 30 GHEDHM C=CCN(c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1)C(C)(C)C ZINC001157585654 1033673140 /nfs/dbraw/zinc/67/31/40/1033673140.db2.gz NREODIALWFMGQH-UHFFFAOYSA-N -1 3 381.448 3.952 20 30 GHEDHM C#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCCC1)c1ccc(Br)cc1 ZINC001159633714 1034697238 /nfs/dbraw/zinc/69/72/38/1034697238.db2.gz BDNVOKDJNAIQRG-AWEZNQCLSA-N -1 3 386.236 3.570 20 30 GHEDHM CN(CC(=O)N([O-])Cc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC001161843076 1035313827 /nfs/dbraw/zinc/31/38/27/1035313827.db2.gz ZZZBDKQJNYPYKS-UHFFFAOYSA-N -1 3 378.428 3.826 20 30 GHEDHM CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N([O-])Cc1ccc(F)cc1)C2 ZINC001161842458 1035313969 /nfs/dbraw/zinc/31/39/69/1035313969.db2.gz FNZNVAMIRUMMSJ-UHFFFAOYSA-N -1 3 378.444 3.723 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)cc1 ZINC001232678414 1038476551 /nfs/dbraw/zinc/47/65/51/1038476551.db2.gz YFGVMUDKNYVCDH-UHFFFAOYSA-N -1 3 393.487 3.541 20 30 GHEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277831548 1039840458 /nfs/dbraw/zinc/84/04/58/1039840458.db2.gz YUAKHQXWIPRQPU-HZPDHXFCSA-N -1 3 382.291 3.568 20 30 GHEDHM N#Cc1c([N-]C(=O)c2ncc(C(N)=O)cc2Cl)sc2c1CCCCCC2 ZINC001254087918 1039985987 /nfs/dbraw/zinc/98/59/87/1039985987.db2.gz BTNXKUHRODQYMS-UHFFFAOYSA-N -1 3 388.880 3.678 20 30 GHEDHM CCC#C[C@H](C)Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC ZINC001234758725 1040287595 /nfs/dbraw/zinc/28/75/95/1040287595.db2.gz VMMDRGNLIWNPRG-LBPRGKRZSA-N -1 3 398.411 3.858 20 30 GHEDHM CCC#C[C@H](C)Oc1c(OC)cc2c(=O)c3c([O-])cc(OC)cc3oc2c1OC ZINC001234758725 1040287609 /nfs/dbraw/zinc/28/76/09/1040287609.db2.gz VMMDRGNLIWNPRG-LBPRGKRZSA-N -1 3 398.411 3.858 20 30 GHEDHM C#C[C@@H](CC)Oc1cc(OC)c(OC)c2oc(-c3ccccc3[O-])cc(=O)c12 ZINC001234785082 1040316475 /nfs/dbraw/zinc/31/64/75/1040316475.db2.gz ZMXHEYAMEQVTMN-ZDUSSCGKSA-N -1 3 380.396 3.973 20 30 GHEDHM C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(Cl)nc(Cl)c1[O-])CC2 ZINC001237523897 1042250037 /nfs/dbraw/zinc/25/00/37/1042250037.db2.gz WBEFWCYUYJFLEK-SFHVURJKSA-N -1 3 384.307 3.627 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2cnccc2c1Br ZINC001258283047 1044490296 /nfs/dbraw/zinc/49/02/96/1044490296.db2.gz HQHMXIXPNCRWES-UHFFFAOYSA-N -1 3 388.246 3.670 20 30 GHEDHM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1Br ZINC001258916858 1044873211 /nfs/dbraw/zinc/87/32/11/1044873211.db2.gz ZRSIUUILOZQHBA-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1N1CCCCC1 ZINC001259861379 1045321966 /nfs/dbraw/zinc/32/19/66/1045321966.db2.gz HUKJAZMXAJUVEU-UHFFFAOYSA-N -1 3 381.501 3.838 20 30 GHEDHM N#Cc1cc(Cl)c([N-]S(=O)(=O)CCC(F)(F)F)cc1C(F)(F)F ZINC001259874628 1045326698 /nfs/dbraw/zinc/32/66/98/1045326698.db2.gz YBDHCIPXTVHQPG-UHFFFAOYSA-N -1 3 380.697 3.925 20 30 GHEDHM N#Cc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1Br ZINC001260011460 1045355137 /nfs/dbraw/zinc/35/51/37/1045355137.db2.gz ONEIQGOQIDBXKU-UHFFFAOYSA-N -1 3 388.246 3.670 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c2ccncc12 ZINC001260094703 1045381858 /nfs/dbraw/zinc/38/18/58/1045381858.db2.gz GKSDPLRJCGYEMY-UHFFFAOYSA-N -1 3 377.347 3.633 20 30 GHEDHM CC[C@H](C)c1cccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001301069002 1046319245 /nfs/dbraw/zinc/31/92/45/1046319245.db2.gz AXOQFQQESRWPTJ-LSDHHAIUSA-N -1 3 399.516 3.656 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC001262987636 1046471532 /nfs/dbraw/zinc/47/15/32/1046471532.db2.gz CNSJPNGUCIVLDG-GOSISDBHSA-N -1 3 376.464 3.585 20 30 GHEDHM CC(C)[C@H](C(=O)N([O-])CCCCc1ccccc1)N1Cc2ccccc2C1=O ZINC001306896378 1048949706 /nfs/dbraw/zinc/94/97/06/1048949706.db2.gz VELIWQAUXPJNKI-OAQYLSRUSA-N -1 3 380.488 3.908 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)c(Cl)c1 ZINC001309790307 1050974484 /nfs/dbraw/zinc/97/44/84/1050974484.db2.gz KIJYRCQQAATZGM-DGCLKSJQSA-N -1 3 378.803 3.581 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc(OC)c1C(C)C ZINC001343367217 1053730738 /nfs/dbraw/zinc/73/07/38/1053730738.db2.gz SWWGGKDYSPVQTG-OAHLLOKOSA-N -1 3 390.443 3.843 20 30 GHEDHM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC001343712110 1053981728 /nfs/dbraw/zinc/98/17/28/1053981728.db2.gz ZJQGPPOXAPCMHE-UHFFFAOYSA-N -1 3 376.388 3.757 20 30 GHEDHM COCCCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc(C)c1 ZINC001317760709 1054249563 /nfs/dbraw/zinc/24/95/63/1054249563.db2.gz NZMOYIYXUBGAKJ-UHFFFAOYSA-N -1 3 397.500 3.756 20 30 GHEDHM Cc1ccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NCC(F)(F)F)o1 ZINC001318044745 1054370117 /nfs/dbraw/zinc/37/01/17/1054370117.db2.gz MOJFXTBDZAEJAZ-UHFFFAOYSA-N -1 3 397.378 3.874 20 30 GHEDHM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001344572435 1054573574 /nfs/dbraw/zinc/57/35/74/1054573574.db2.gz WCHDDIREIONCRE-SFHVURJKSA-N -1 3 399.878 3.558 20 30 GHEDHM COCc1ccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC(C)C)o1 ZINC001319751834 1055444344 /nfs/dbraw/zinc/44/43/44/1055444344.db2.gz NDMVZRNXLNCIEG-UHFFFAOYSA-N -1 3 387.461 3.559 20 30 GHEDHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001320121992 1055663638 /nfs/dbraw/zinc/66/36/38/1055663638.db2.gz PVWWLMDXZDEDKH-OAHLLOKOSA-N -1 3 386.455 3.839 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000848138419 1056743374 /nfs/dbraw/zinc/74/33/74/1056743374.db2.gz MLYXREQCJQPXGE-MRXNPFEDSA-N -1 3 396.340 3.622 20 30 GHEDHM C=CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccncc1 ZINC001323837486 1057021318 /nfs/dbraw/zinc/02/13/18/1057021318.db2.gz DYNLOZKOKZHYPM-CQSZACIVSA-N -1 3 385.258 3.579 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1cccc(F)c1)C1CCC1 ZINC001356139804 1057405992 /nfs/dbraw/zinc/40/59/92/1057405992.db2.gz OULXMHRZGLOLDY-UHFFFAOYSA-N -1 3 394.454 3.633 20 30 GHEDHM CCCn1ncc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1C ZINC001356253208 1057448534 /nfs/dbraw/zinc/44/85/34/1057448534.db2.gz MEGGKTAXFGVICA-CYBMUJFWSA-N -1 3 388.855 3.533 20 30 GHEDHM C#CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CCCCC1 ZINC001442751692 1059001041 /nfs/dbraw/zinc/00/10/41/1059001041.db2.gz GPKHJYAPKGEUCU-UHFFFAOYSA-N -1 3 387.277 3.699 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccccc1C ZINC001339198586 1059006411 /nfs/dbraw/zinc/00/64/11/1059006411.db2.gz ZJIVVARJNXYPAC-SFHVURJKSA-N -1 3 376.464 3.585 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(SC)CC1 ZINC001339233609 1059030481 /nfs/dbraw/zinc/03/04/81/1059030481.db2.gz SXHRBBCARQNIHP-UHFFFAOYSA-N -1 3 392.956 3.940 20 30 GHEDHM CCCCOc1ccc(C=NOCC(=O)Nc2cccc([O-])c2F)cc1OC ZINC001341306984 1060567960 /nfs/dbraw/zinc/56/79/60/1060567960.db2.gz DVDRDHZVLMORMP-UHFFFAOYSA-N -1 3 390.411 3.708 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)ccc1F ZINC001455924744 1062355325 /nfs/dbraw/zinc/35/53/25/1062355325.db2.gz CVMXDQVGYBXBQM-CRAIPNDOSA-N -1 3 396.528 3.625 20 30 GHEDHM O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N([O-])CCCCc1ccccc1 ZINC001457995412 1063495744 /nfs/dbraw/zinc/49/57/44/1063495744.db2.gz SWBNIGAPVUTJCI-IBGZPJMESA-N -1 3 386.879 3.934 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001458010748 1063505307 /nfs/dbraw/zinc/50/53/07/1063505307.db2.gz KRQQBTKCQVTDHH-SQNIBIBYSA-N -1 3 398.544 3.979 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c([O-])c1 ZINC001458027875 1063512024 /nfs/dbraw/zinc/51/20/24/1063512024.db2.gz QEOQZNSDHYCFCG-OAQYLSRUSA-N -1 3 380.444 3.656 20 30 GHEDHM Cc1ccc([C@@H](CC(F)(F)F)[N-]S(=O)(=O)c2cccc(F)c2C#N)cc1 ZINC001463471795 1064383583 /nfs/dbraw/zinc/38/35/83/1064383583.db2.gz MQHFCANZWAGVSN-OAHLLOKOSA-N -1 3 386.370 3.978 20 30 GHEDHM COc1ccc(C#N)cc1NC(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1[O-] ZINC001464548430 1065075108 /nfs/dbraw/zinc/07/51/08/1065075108.db2.gz RIJIGXRLRGVOJE-UHFFFAOYSA-N -1 3 389.415 3.675 20 30 GHEDHM CC(C)(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000847623817 1065778923 /nfs/dbraw/zinc/77/89/23/1065778923.db2.gz GWTRBRHHUUECIV-ZDUSSCGKSA-N -1 3 379.247 3.906 20 30 GHEDHM CCCCCCCCCNC(=S)Nc1ncc(Br)[n-]c1=O ZINC001200379318 1066039682 /nfs/dbraw/zinc/03/96/82/1066039682.db2.gz BRSDJBMENSUMQU-UHFFFAOYSA-N -1 3 375.336 3.569 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3nccs3)n2CCOC)c1[O-] ZINC001358201836 1067437779 /nfs/dbraw/zinc/43/77/79/1067437779.db2.gz CQEHWMVVALJFPU-UHFFFAOYSA-N -1 3 399.520 3.509 20 30 GHEDHM C=CCCC[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC001468638137 1067801222 /nfs/dbraw/zinc/80/12/22/1067801222.db2.gz UUBZLJXXBXOJEK-INIZCTEOSA-N -1 3 379.460 3.661 20 30 GHEDHM C=CCOc1ccc(Br)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001468869272 1067913487 /nfs/dbraw/zinc/91/34/87/1067913487.db2.gz WOHZYCLOSAWQBK-UHFFFAOYSA-N -1 3 390.237 3.639 20 30 GHEDHM C=C1CCC(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC001471251398 1072983652 /nfs/dbraw/zinc/98/36/52/1072983652.db2.gz PHLAXTLYYXAFPH-HNNXBMFYSA-N -1 3 380.410 3.932 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001472622799 1073581930 /nfs/dbraw/zinc/58/19/30/1073581930.db2.gz PALZJDOJAVBMJF-QGZVFWFLSA-N -1 3 392.471 3.971 20 30 GHEDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c(Br)c1 ZINC001474880020 1074608858 /nfs/dbraw/zinc/60/88/58/1074608858.db2.gz XOGJVLKZRSSQLG-UHFFFAOYSA-N -1 3 399.697 3.761 20 30 GHEDHM N#Cc1cc(NC(=O)CCCSc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737706052 598918825 /nfs/dbraw/zinc/91/88/25/598918825.db2.gz VMDOJCSEEKTSOO-UHFFFAOYSA-N -1 3 398.879 3.903 20 30 GHEDHM N#Cc1cc(NC(=O)CCCSc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000737706052 598918827 /nfs/dbraw/zinc/91/88/27/598918827.db2.gz VMDOJCSEEKTSOO-UHFFFAOYSA-N -1 3 398.879 3.903 20 30 GHEDHM Clc1ccc(Br)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822574207 599338249 /nfs/dbraw/zinc/33/82/49/599338249.db2.gz QBBYFMWCHYSHQA-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716697 599198956 /nfs/dbraw/zinc/19/89/56/599198956.db2.gz UHUDHLORSUOTCD-WOJBJXKFSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716697 599198957 /nfs/dbraw/zinc/19/89/57/599198957.db2.gz UHUDHLORSUOTCD-WOJBJXKFSA-N -1 3 380.411 3.634 20 30 GHEDHM CC[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736311609 599199164 /nfs/dbraw/zinc/19/91/64/599199164.db2.gz AYKWZPBUWWOCQG-LJQANCHMSA-N -1 3 396.838 3.734 20 30 GHEDHM CC[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736311609 599199166 /nfs/dbraw/zinc/19/91/66/599199166.db2.gz AYKWZPBUWWOCQG-LJQANCHMSA-N -1 3 396.838 3.734 20 30 GHEDHM CCc1c(C)sc(NC(=O)c2cc3ccccc3n2CC#N)c1-c1nnn[n-]1 ZINC000736676930 598283188 /nfs/dbraw/zinc/28/31/88/598283188.db2.gz WIWGKOQQKAKXRD-UHFFFAOYSA-N -1 3 391.460 3.530 20 30 GHEDHM CCc1c(C)sc(NC(=O)c2cc3ccccc3n2CC#N)c1-c1nn[n-]n1 ZINC000736676930 598283189 /nfs/dbraw/zinc/28/31/89/598283189.db2.gz WIWGKOQQKAKXRD-UHFFFAOYSA-N -1 3 391.460 3.530 20 30 GHEDHM C=CCOc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735436475 598321485 /nfs/dbraw/zinc/32/14/85/598321485.db2.gz KTXBDHYVPRKBAY-UHFFFAOYSA-N -1 3 386.868 3.894 20 30 GHEDHM C=CCOc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735436475 598321487 /nfs/dbraw/zinc/32/14/87/598321487.db2.gz KTXBDHYVPRKBAY-UHFFFAOYSA-N -1 3 386.868 3.894 20 30 GHEDHM C#Cc1cccc(NC(=S)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391967 598323314 /nfs/dbraw/zinc/32/33/14/598323314.db2.gz ZIDJFLVDZTVZLK-UHFFFAOYSA-N -1 3 376.489 3.707 20 30 GHEDHM C#Cc1cccc(NC(=S)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391967 598323316 /nfs/dbraw/zinc/32/33/16/598323316.db2.gz ZIDJFLVDZTVZLK-UHFFFAOYSA-N -1 3 376.489 3.707 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(OC(C)C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201664 598376973 /nfs/dbraw/zinc/37/69/73/598376973.db2.gz FZYWKQPDWPLBMA-FLIBITNWSA-N -1 3 377.448 3.606 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(OC(C)C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201664 598376974 /nfs/dbraw/zinc/37/69/74/598376974.db2.gz FZYWKQPDWPLBMA-FLIBITNWSA-N -1 3 377.448 3.606 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735972994 598564740 /nfs/dbraw/zinc/56/47/40/598564740.db2.gz AYDHMSYBCCTQPN-ZDUSSCGKSA-N -1 3 393.476 3.583 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735972994 598564741 /nfs/dbraw/zinc/56/47/41/598564741.db2.gz AYDHMSYBCCTQPN-ZDUSSCGKSA-N -1 3 393.476 3.583 20 30 GHEDHM CCN(CC)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736531040 598640297 /nfs/dbraw/zinc/64/02/97/598640297.db2.gz BSZPEGDRPYRADE-RAXLEYEMSA-N -1 3 390.491 3.665 20 30 GHEDHM CCN(CC)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736531040 598640299 /nfs/dbraw/zinc/64/02/99/598640299.db2.gz BSZPEGDRPYRADE-RAXLEYEMSA-N -1 3 390.491 3.665 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000517669709 598644653 /nfs/dbraw/zinc/64/46/53/598644653.db2.gz IIFZODGLSODABU-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000517669709 598644654 /nfs/dbraw/zinc/64/46/54/598644654.db2.gz IIFZODGLSODABU-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#Cc1ccc(OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737721327 598646153 /nfs/dbraw/zinc/64/61/53/598646153.db2.gz IPEMBEKRJFTTJM-UHFFFAOYSA-N -1 3 383.367 3.750 20 30 GHEDHM N#Cc1ccc(OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737721327 598646155 /nfs/dbraw/zinc/64/61/55/598646155.db2.gz IPEMBEKRJFTTJM-UHFFFAOYSA-N -1 3 383.367 3.750 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737722229 598646277 /nfs/dbraw/zinc/64/62/77/598646277.db2.gz QVBRRNDWRVPLTB-UHFFFAOYSA-N -1 3 383.367 3.750 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737722229 598646279 /nfs/dbraw/zinc/64/62/79/598646279.db2.gz QVBRRNDWRVPLTB-UHFFFAOYSA-N -1 3 383.367 3.750 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000819743308 599317279 /nfs/dbraw/zinc/31/72/79/599317279.db2.gz GONWTUCCZITERQ-XUZZJYLKSA-N -1 3 399.498 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000819743308 599317282 /nfs/dbraw/zinc/31/72/82/599317282.db2.gz GONWTUCCZITERQ-XUZZJYLKSA-N -1 3 399.498 3.676 20 30 GHEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000819759145 599630254 /nfs/dbraw/zinc/63/02/54/599630254.db2.gz OYTAFOWPKXAXSN-UHFFFAOYSA-N -1 3 375.498 3.509 20 30 GHEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000819759145 599630255 /nfs/dbraw/zinc/63/02/55/599630255.db2.gz OYTAFOWPKXAXSN-UHFFFAOYSA-N -1 3 375.498 3.509 20 30 GHEDHM C=CCC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000819734803 607390389 /nfs/dbraw/zinc/39/03/89/607390389.db2.gz UINSWVLHJZCYOH-GOSISDBHSA-N -1 3 380.427 3.513 20 30 GHEDHM C=CCC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000819734803 607390390 /nfs/dbraw/zinc/39/03/90/607390390.db2.gz UINSWVLHJZCYOH-GOSISDBHSA-N -1 3 380.427 3.513 20 30 GHEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)S1 ZINC000822293551 607456395 /nfs/dbraw/zinc/45/63/95/607456395.db2.gz BSXXHGLQGWYBTQ-OQLLNIDSSA-N -1 3 394.435 3.514 20 30 GHEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)S1 ZINC000822293551 607456398 /nfs/dbraw/zinc/45/63/98/607456398.db2.gz BSXXHGLQGWYBTQ-OQLLNIDSSA-N -1 3 394.435 3.514 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833063250 601236953 /nfs/dbraw/zinc/23/69/53/601236953.db2.gz HNQJAZPODBUVMS-NHCYSSNCSA-N -1 3 383.231 3.532 20 30 GHEDHM C=C(C)CN1CCC(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000825642041 602004201 /nfs/dbraw/zinc/00/42/01/602004201.db2.gz DQIBXLRYWRTTCK-UHFFFAOYSA-N -1 3 385.386 3.566 20 30 GHEDHM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000740303545 602670605 /nfs/dbraw/zinc/67/06/05/602670605.db2.gz KQKXJOYZGVPUAU-HOCLYGCPSA-N -1 3 399.834 3.776 20 30 GHEDHM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000740303546 602670659 /nfs/dbraw/zinc/67/06/59/602670659.db2.gz KQKXJOYZGVPUAU-ZBFHGGJFSA-N -1 3 399.834 3.776 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(CSC)c1 ZINC000819745539 606107755 /nfs/dbraw/zinc/10/77/55/606107755.db2.gz IEZBIYOSDVHNNZ-UHFFFAOYSA-N -1 3 397.479 3.697 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(CSC)c1 ZINC000819745539 606107756 /nfs/dbraw/zinc/10/77/56/606107756.db2.gz IEZBIYOSDVHNNZ-UHFFFAOYSA-N -1 3 397.479 3.697 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000819742878 606150636 /nfs/dbraw/zinc/15/06/36/606150636.db2.gz BJSRLJRDFMLTAD-PLNGDYQASA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000819742878 606150638 /nfs/dbraw/zinc/15/06/38/606150638.db2.gz BJSRLJRDFMLTAD-PLNGDYQASA-N -1 3 377.423 3.624 20 30 GHEDHM N#C[C@@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000822801299 606169659 /nfs/dbraw/zinc/16/96/59/606169659.db2.gz GVNUEOQCJGGCBO-QGZVFWFLSA-N -1 3 395.806 3.771 20 30 GHEDHM N#C[C@@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CC1 ZINC000822801299 606169660 /nfs/dbraw/zinc/16/96/60/606169660.db2.gz GVNUEOQCJGGCBO-QGZVFWFLSA-N -1 3 395.806 3.771 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(Cl)cc(Cl)cc21 ZINC000823498334 606306317 /nfs/dbraw/zinc/30/63/17/606306317.db2.gz LJEAQXFTOSZDPM-XFSBKJJWSA-N -1 3 379.228 3.894 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(Cl)cc(Cl)cc21 ZINC000823498334 606306319 /nfs/dbraw/zinc/30/63/19/606306319.db2.gz LJEAQXFTOSZDPM-XFSBKJJWSA-N -1 3 379.228 3.894 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823504256 606306643 /nfs/dbraw/zinc/30/66/43/606306643.db2.gz NVODEGOPQSVESQ-LREOWRDNSA-N -1 3 391.225 3.652 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823504256 606306644 /nfs/dbraw/zinc/30/66/44/606306644.db2.gz NVODEGOPQSVESQ-LREOWRDNSA-N -1 3 391.225 3.652 20 30 GHEDHM CC(C)N(CCC#N)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820116518 606318250 /nfs/dbraw/zinc/31/82/50/606318250.db2.gz JRCVEGPPTDNQMQ-UHFFFAOYSA-N -1 3 392.488 3.782 20 30 GHEDHM CC(C)N(CCC#N)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820116518 606318252 /nfs/dbraw/zinc/31/82/52/606318252.db2.gz JRCVEGPPTDNQMQ-UHFFFAOYSA-N -1 3 392.488 3.782 20 30 GHEDHM CCSc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000821461430 606514295 /nfs/dbraw/zinc/51/42/95/606514295.db2.gz NWQAVQYBDQGLCG-UHFFFAOYSA-N -1 3 384.852 3.756 20 30 GHEDHM CCSc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000821461430 606514296 /nfs/dbraw/zinc/51/42/96/606514296.db2.gz NWQAVQYBDQGLCG-UHFFFAOYSA-N -1 3 384.852 3.756 20 30 GHEDHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccc(Cl)cc1 ZINC000822732890 606595352 /nfs/dbraw/zinc/59/53/52/606595352.db2.gz NVALCJLKZAZEGE-UHFFFAOYSA-N -1 3 379.754 3.672 20 30 GHEDHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccc(Cl)cc1 ZINC000822732890 606595354 /nfs/dbraw/zinc/59/53/54/606595354.db2.gz NVALCJLKZAZEGE-UHFFFAOYSA-N -1 3 379.754 3.672 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820556492 606628450 /nfs/dbraw/zinc/62/84/50/606628450.db2.gz UBCOWTTXEFXFIS-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820556492 606628451 /nfs/dbraw/zinc/62/84/51/606628451.db2.gz UBCOWTTXEFXFIS-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000822137708 606789914 /nfs/dbraw/zinc/78/99/14/606789914.db2.gz WNQCYXUNIYFBAW-NRFANRHFSA-N -1 3 390.447 3.636 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000822137708 606789916 /nfs/dbraw/zinc/78/99/16/606789916.db2.gz WNQCYXUNIYFBAW-NRFANRHFSA-N -1 3 390.447 3.636 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819693698 606952417 /nfs/dbraw/zinc/95/24/17/606952417.db2.gz VKAMKLYKZLFSRH-UHFFFAOYSA-N -1 3 376.420 3.584 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819693698 606952419 /nfs/dbraw/zinc/95/24/19/606952419.db2.gz VKAMKLYKZLFSRH-UHFFFAOYSA-N -1 3 376.420 3.584 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000819693932 606952427 /nfs/dbraw/zinc/95/24/27/606952427.db2.gz ZZCOYYKNUNQQBO-UHFFFAOYSA-N -1 3 390.447 3.892 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000819693932 606952429 /nfs/dbraw/zinc/95/24/29/606952429.db2.gz ZZCOYYKNUNQQBO-UHFFFAOYSA-N -1 3 390.447 3.892 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)(C)C#N ZINC000824723069 607807129 /nfs/dbraw/zinc/80/71/29/607807129.db2.gz MJIQICPKGBEMOL-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(C)(C)C#N ZINC000824723069 607807130 /nfs/dbraw/zinc/80/71/30/607807130.db2.gz MJIQICPKGBEMOL-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(C#N)s1 ZINC000824131353 607930053 /nfs/dbraw/zinc/93/00/53/607930053.db2.gz ZWKRJHYTHWJTAJ-UHFFFAOYSA-N -1 3 380.477 3.669 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(C#N)s1 ZINC000824131353 607930054 /nfs/dbraw/zinc/93/00/54/607930054.db2.gz ZWKRJHYTHWJTAJ-UHFFFAOYSA-N -1 3 380.477 3.669 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826387136 607949385 /nfs/dbraw/zinc/94/93/85/607949385.db2.gz HWMVZSKXFCBQJZ-UHFFFAOYSA-N -1 3 392.422 3.608 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826387136 607949386 /nfs/dbraw/zinc/94/93/86/607949386.db2.gz HWMVZSKXFCBQJZ-UHFFFAOYSA-N -1 3 392.422 3.608 20 30 GHEDHM C=C[C@@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883744 607964550 /nfs/dbraw/zinc/96/45/50/607964550.db2.gz ZIHOHYVJRBUPBJ-INIZCTEOSA-N -1 3 393.516 3.576 20 30 GHEDHM C=C[C@@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883744 607964551 /nfs/dbraw/zinc/96/45/51/607964551.db2.gz ZIHOHYVJRBUPBJ-INIZCTEOSA-N -1 3 393.516 3.576 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)Cc2c1c(Br)ccc2F ZINC000826475638 607983220 /nfs/dbraw/zinc/98/32/20/607983220.db2.gz MGGFUNHOYIHODG-XFFZJAGNSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)Cc2c1c(Br)ccc2F ZINC000826475638 607983221 /nfs/dbraw/zinc/98/32/21/607983221.db2.gz MGGFUNHOYIHODG-XFFZJAGNSA-N -1 3 385.196 3.591 20 30 GHEDHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824722065 608185579 /nfs/dbraw/zinc/18/55/79/608185579.db2.gz GASLUNQJFOIEDU-JTQLQIEISA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824722065 608185583 /nfs/dbraw/zinc/18/55/83/608185583.db2.gz GASLUNQJFOIEDU-JTQLQIEISA-N -1 3 387.321 3.675 20 30 GHEDHM C=CCCCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823894552 608355391 /nfs/dbraw/zinc/35/53/91/608355391.db2.gz SWHZFSGDUAXMOU-UHFFFAOYSA-N -1 3 376.464 3.641 20 30 GHEDHM C=CCCCN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823894552 608355393 /nfs/dbraw/zinc/35/53/93/608355393.db2.gz SWHZFSGDUAXMOU-UHFFFAOYSA-N -1 3 376.464 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CC/C1=C/c1c(C2CC2)nc2sccn12 ZINC000826475486 608387895 /nfs/dbraw/zinc/38/78/95/608387895.db2.gz HLLVEXZTVILBSD-RAXLEYEMSA-N -1 3 388.456 3.666 20 30 GHEDHM N#Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc2ccccc12 ZINC000826384300 608443996 /nfs/dbraw/zinc/44/39/96/608443996.db2.gz PQYHNDVMLZDJLL-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc2ccccc12 ZINC000826384300 608443998 /nfs/dbraw/zinc/44/39/98/608443998.db2.gz PQYHNDVMLZDJLL-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM FC(F)(F)CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1 ZINC000826367915 608538118 /nfs/dbraw/zinc/53/81/18/608538118.db2.gz UHPSYHCKZIIHHH-UHFFFAOYSA-N -1 3 381.749 3.684 20 30 GHEDHM FC(F)(F)CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1 ZINC000826367915 608538120 /nfs/dbraw/zinc/53/81/20/608538120.db2.gz UHPSYHCKZIIHHH-UHFFFAOYSA-N -1 3 381.749 3.684 20 30 GHEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826381371 609134419 /nfs/dbraw/zinc/13/44/19/609134419.db2.gz JEYUTUIOJUMLNH-TWGQIWQCSA-N -1 3 377.379 3.584 20 30 GHEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826381371 609134421 /nfs/dbraw/zinc/13/44/21/609134421.db2.gz JEYUTUIOJUMLNH-TWGQIWQCSA-N -1 3 377.379 3.584 20 30 GHEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(CC#N)cc2)c1-c1nnn[n-]1 ZINC000826234490 609166399 /nfs/dbraw/zinc/16/63/99/609166399.db2.gz YYHRFQPNCHIOIR-UHFFFAOYSA-N -1 3 397.442 3.593 20 30 GHEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(CC#N)cc2)c1-c1nn[n-]n1 ZINC000826234490 609166401 /nfs/dbraw/zinc/16/64/01/609166401.db2.gz YYHRFQPNCHIOIR-UHFFFAOYSA-N -1 3 397.442 3.593 20 30 GHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400168 609270490 /nfs/dbraw/zinc/27/04/90/609270490.db2.gz QZUIRRJVLITVMZ-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400168 609270491 /nfs/dbraw/zinc/27/04/91/609270491.db2.gz QZUIRRJVLITVMZ-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c2ccccn21 ZINC000824358460 609271171 /nfs/dbraw/zinc/27/11/71/609271171.db2.gz KPWXCOCPHCCHED-HJWRWDBZSA-N -1 3 376.395 3.673 20 30 GHEDHM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399634 609272301 /nfs/dbraw/zinc/27/23/01/609272301.db2.gz AXDZAYPCNFXHKX-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399634 609272303 /nfs/dbraw/zinc/27/23/03/609272303.db2.gz AXDZAYPCNFXHKX-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(Cl)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359475 609307677 /nfs/dbraw/zinc/30/76/77/609307677.db2.gz ICXMMHUTBXLKPA-FLIBITNWSA-N -1 3 390.834 3.817 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(Cl)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359475 609307679 /nfs/dbraw/zinc/30/76/79/609307679.db2.gz ICXMMHUTBXLKPA-FLIBITNWSA-N -1 3 390.834 3.817 20 30 GHEDHM CC(C)(C#N)CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000824059059 609429750 /nfs/dbraw/zinc/42/97/50/609429750.db2.gz LXZAPDDLAICWCQ-UHFFFAOYSA-N -1 3 396.838 3.592 20 30 GHEDHM CC(C)(C#N)CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000824059059 609429752 /nfs/dbraw/zinc/42/97/52/609429752.db2.gz LXZAPDDLAICWCQ-UHFFFAOYSA-N -1 3 396.838 3.592 20 30 GHEDHM C[C@@H](C#N)Oc1ccccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824033837 609507699 /nfs/dbraw/zinc/50/76/99/609507699.db2.gz CILUBGCOAYBLIU-JTQLQIEISA-N -1 3 399.867 3.620 20 30 GHEDHM C[C@@H](C#N)Oc1ccccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824033837 609507700 /nfs/dbraw/zinc/50/77/00/609507700.db2.gz CILUBGCOAYBLIU-JTQLQIEISA-N -1 3 399.867 3.620 20 30 GHEDHM N#Cc1csc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000748075901 835292543 /nfs/dbraw/zinc/29/25/43/835292543.db2.gz MXFFGPUKNPTESF-UHFFFAOYSA-N -1 3 382.470 3.867 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(C)cc2C)CCCC1 ZINC000329623060 835445888 /nfs/dbraw/zinc/44/58/88/835445888.db2.gz HKYSDAIFHUVDHY-UHFFFAOYSA-N -1 3 391.493 3.788 20 30 GHEDHM COC(=O)c1sc([N-]C(=O)c2c(F)cc(C#N)cc2F)nc1C(C)(C)C ZINC000154571040 835774924 /nfs/dbraw/zinc/77/49/24/835774924.db2.gz DELJQFKRBHPTEQ-UHFFFAOYSA-N -1 3 379.388 3.629 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066306806 837121381 /nfs/dbraw/zinc/12/13/81/837121381.db2.gz GOUIUBQZFMGLKP-INIZCTEOSA-N -1 3 388.489 3.716 20 30 GHEDHM N#CCc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000183008628 838884423 /nfs/dbraw/zinc/88/44/23/838884423.db2.gz NJSHQNPFKAPRBB-QFIPXVFZSA-N -1 3 399.450 3.958 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(F)cc1Br ZINC000416519960 839352860 /nfs/dbraw/zinc/35/28/60/839352860.db2.gz FZPJYOKABNCNOL-UHFFFAOYSA-N -1 3 389.290 3.505 20 30 GHEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610472485 840538707 /nfs/dbraw/zinc/53/87/07/840538707.db2.gz NYOJQOABBMNPLX-UHFFFAOYSA-N -1 3 393.428 3.524 20 30 GHEDHM C=CC1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000430564190 841143314 /nfs/dbraw/zinc/14/33/14/841143314.db2.gz YSQFUQVGXDIEMO-UHFFFAOYSA-N -1 3 395.684 3.982 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccc2c1OCO2 ZINC000123445262 841774266 /nfs/dbraw/zinc/77/42/66/841774266.db2.gz PRSPGVQPCIIGHQ-NSHDSACASA-N -1 3 377.183 3.683 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)n3C)n2)cc1 ZINC000136615127 841883355 /nfs/dbraw/zinc/88/33/55/841883355.db2.gz TWXMUEFBYVLMII-MRXNPFEDSA-N -1 3 392.484 3.981 20 30 GHEDHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C#N)cc3C)n2)cc1 ZINC000471878802 843190299 /nfs/dbraw/zinc/19/02/99/843190299.db2.gz VROXHZCFQHCUAW-CQSZACIVSA-N -1 3 396.472 3.519 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1 ZINC000730996568 861398392 /nfs/dbraw/zinc/39/83/92/861398392.db2.gz UUPRNRNBDUNGPS-UHFFFAOYSA-N -1 3 380.263 3.570 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)cc1 ZINC000046462671 845332361 /nfs/dbraw/zinc/33/23/61/845332361.db2.gz JSZCXPUHWISVAS-UHFFFAOYSA-N -1 3 391.452 3.920 20 30 GHEDHM N#C[C@@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCOC1 ZINC000866865573 845539010 /nfs/dbraw/zinc/53/90/10/845539010.db2.gz PNNWYSUIIHBKGB-FQEVSTJZSA-N -1 3 379.441 3.928 20 30 GHEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)s2)cc1 ZINC000121763805 846214574 /nfs/dbraw/zinc/21/45/74/846214574.db2.gz FCWBQPDHXVHYSM-HNNXBMFYSA-N -1 3 397.500 3.709 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000121778705 846513543 /nfs/dbraw/zinc/51/35/43/846513543.db2.gz QSHCUDGSCRBAAX-ZDUSSCGKSA-N -1 3 375.743 3.657 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000563597056 849315315 /nfs/dbraw/zinc/31/53/15/849315315.db2.gz LKDWZKZNFJNLLI-KRWDZBQOSA-N -1 3 397.525 3.803 20 30 GHEDHM COc1ccccc1N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000129387466 852048419 /nfs/dbraw/zinc/04/84/19/852048419.db2.gz JBPSVZGMPQJXOW-PZUDMAOCSA-N -1 3 375.266 3.861 20 30 GHEDHM COCC1(C#N)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436727905 852267516 /nfs/dbraw/zinc/26/75/16/852267516.db2.gz FDLLFVAGLAAGDX-UHFFFAOYSA-N -1 3 378.472 3.570 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438475991 852472117 /nfs/dbraw/zinc/47/21/17/852472117.db2.gz ZLVBFSKCUDZZFU-ZIAGYGMSSA-N -1 3 383.414 3.693 20 30 GHEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000126613298 853682278 /nfs/dbraw/zinc/68/22/78/853682278.db2.gz RSAIIQXIJZWKTJ-AWEZNQCLSA-N -1 3 392.431 3.914 20 30 GHEDHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000589589244 855072400 /nfs/dbraw/zinc/07/24/00/855072400.db2.gz HAPZSUCMENATJA-INIZCTEOSA-N -1 3 383.517 3.914 20 30 GHEDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCC3)cc1OC ZINC000061432149 856489986 /nfs/dbraw/zinc/48/99/86/856489986.db2.gz NCBCMIZIBRFWOF-UHFFFAOYSA-N -1 3 387.417 3.676 20 30 GHEDHM C=CCn1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)nn1 ZINC000592591680 856947234 /nfs/dbraw/zinc/94/72/34/856947234.db2.gz OSXHJVXWIXFBMM-UHFFFAOYSA-N -1 3 381.383 3.741 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000172782973 857167478 /nfs/dbraw/zinc/16/74/78/857167478.db2.gz CHUMWDFISXKPSE-ZUOKHONESA-N -1 3 381.451 3.545 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000114681116 858159812 /nfs/dbraw/zinc/15/98/12/858159812.db2.gz DGXYRORUOBKKIP-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000114681116 858159818 /nfs/dbraw/zinc/15/98/18/858159818.db2.gz DGXYRORUOBKKIP-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM Cc1nc(-c2cnn(C)c2)sc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000605363178 863007994 /nfs/dbraw/zinc/00/79/94/863007994.db2.gz NHGDFNHHPQTPJB-ZDUSSCGKSA-N -1 3 376.445 3.527 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1Br ZINC000483215819 859226975 /nfs/dbraw/zinc/22/69/75/859226975.db2.gz SHNSPOPEVCOYJH-GFCCVEGCSA-N -1 3 382.217 3.891 20 30 GHEDHM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000161097981 859592261 /nfs/dbraw/zinc/59/22/61/859592261.db2.gz NDAGQSBNIFOCQZ-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM O=C(Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1)Nc1ccccc1F ZINC000727973013 860346038 /nfs/dbraw/zinc/34/60/38/860346038.db2.gz PHSBXTIGYABLLF-UHFFFAOYSA-N -1 3 380.375 3.874 20 30 GHEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnc1C(F)(F)F ZINC000598870612 860645008 /nfs/dbraw/zinc/64/50/08/860645008.db2.gz LAUDARCLLDCPDQ-UHFFFAOYSA-N -1 3 378.354 3.569 20 30 GHEDHM CCCCCn1nc(C([O-])=C(C#N)c2nc(C)cs2)c2ccccc2c1=O ZINC000041521362 860806842 /nfs/dbraw/zinc/80/68/42/860806842.db2.gz WGAUJACWTINFJN-INIZCTEOSA-N -1 3 380.473 3.842 20 30 GHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000555529114 861178585 /nfs/dbraw/zinc/17/85/85/861178585.db2.gz AYPQMJDFRCTMBL-UHFFFAOYSA-N -1 3 386.399 3.573 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000130279476 881673588 /nfs/dbraw/zinc/67/35/88/881673588.db2.gz SYNMYFBPKCUTJR-CYBMUJFWSA-N -1 3 387.779 3.526 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2c(cccc2N=Cc2ccc(O)c([O-])c2O)C1 ZINC000734095414 863977000 /nfs/dbraw/zinc/97/70/00/863977000.db2.gz AHYITZITAGGYDO-UHFFFAOYSA-N -1 3 384.432 3.847 20 30 GHEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccc(OC)cc1 ZINC000132854912 881757664 /nfs/dbraw/zinc/75/76/64/881757664.db2.gz JGIAJXYSIYSLII-CYBMUJFWSA-N -1 3 383.477 3.797 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cnc(-c3ccccc3OC)nc2)c(OC)cc1[O-] ZINC000792884874 881773757 /nfs/dbraw/zinc/77/37/57/881773757.db2.gz LZPGJEOFOYEERQ-HJWRWDBZSA-N -1 3 392.411 3.771 20 30 GHEDHM C[C@@H](Sc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736193864 865152600 /nfs/dbraw/zinc/15/26/00/865152600.db2.gz UUVIZXFVOWBALH-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736193864 865152604 /nfs/dbraw/zinc/15/26/04/865152604.db2.gz UUVIZXFVOWBALH-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccco3)sc2C)c1 ZINC000127149696 865431003 /nfs/dbraw/zinc/43/10/03/865431003.db2.gz SPDHRSRALDLBFS-CQSZACIVSA-N -1 3 381.413 3.681 20 30 GHEDHM O=c1ccccn1Cc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000920174801 881883032 /nfs/dbraw/zinc/88/30/32/881883032.db2.gz QNDLJYBXUOPYKU-LPYMAVHISA-N -1 3 397.272 3.984 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1cccc(C(F)(F)F)c1 ZINC000479152806 867249131 /nfs/dbraw/zinc/24/91/31/867249131.db2.gz HQBZIQHGUVJLIA-AWEZNQCLSA-N -1 3 397.403 3.858 20 30 GHEDHM Cc1cccc(C([N-]S(=O)(=O)c2cccnc2C#N)c2cccc(C)c2)c1 ZINC000428381834 867392960 /nfs/dbraw/zinc/39/29/60/867392960.db2.gz QCBJZPKGJADZDG-UHFFFAOYSA-N -1 3 377.469 3.638 20 30 GHEDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C#Cc4ccccn4)c3)ccc2O1 ZINC000479294110 867529857 /nfs/dbraw/zinc/52/98/57/867529857.db2.gz YHIIZECGCSJESO-INIZCTEOSA-N -1 3 390.464 3.606 20 30 GHEDHM CC#CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000744460482 868836140 /nfs/dbraw/zinc/83/61/40/868836140.db2.gz UCFLDSFIRUSGAX-LLVKDONJSA-N -1 3 392.304 3.640 20 30 GHEDHM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC001192510856 870444443 /nfs/dbraw/zinc/44/44/43/870444443.db2.gz GILSYSYZYRIIGY-UHFFFAOYSA-N -1 3 388.258 3.823 20 30 GHEDHM C=CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000617611509 870604432 /nfs/dbraw/zinc/60/44/32/870604432.db2.gz ACHVYERZCWHOQT-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000775587418 870998722 /nfs/dbraw/zinc/99/87/22/870998722.db2.gz ZFEGSHVVNMDVGI-LJQANCHMSA-N -1 3 383.404 3.939 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000775587418 870998741 /nfs/dbraw/zinc/99/87/41/870998741.db2.gz ZFEGSHVVNMDVGI-LJQANCHMSA-N -1 3 383.404 3.939 20 30 GHEDHM C=CCOc1cccnc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000539297292 871664625 /nfs/dbraw/zinc/66/46/25/871664625.db2.gz JMMMQRBJTDMZBX-UHFFFAOYSA-N -1 3 376.416 3.624 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(-c3ccccc3)c[nH]2)c(C)c1[O-] ZINC001195650889 872558640 /nfs/dbraw/zinc/55/86/40/872558640.db2.gz OEAWBJDXKQXULM-UHFFFAOYSA-N -1 3 389.411 3.996 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC001195943738 872743382 /nfs/dbraw/zinc/74/33/82/872743382.db2.gz SCINCFXJCDSFRX-UHFFFAOYSA-N -1 3 389.337 3.535 20 30 GHEDHM N#CC(=C([O-])c1cccc(NC(=O)NC2CC2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464402417 873815151 /nfs/dbraw/zinc/81/51/51/873815151.db2.gz DWLXWEDVIKWKPH-HNNXBMFYSA-N -1 3 388.349 3.874 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1 ZINC000770098645 874457470 /nfs/dbraw/zinc/45/74/70/874457470.db2.gz GIKPWDYWOPFZJY-LJQANCHMSA-N -1 3 379.460 3.955 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)cc1C#N ZINC001201317491 875628746 /nfs/dbraw/zinc/62/87/46/875628746.db2.gz SYMNQIHULWTCGP-UHFFFAOYSA-N -1 3 376.306 3.965 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1C ZINC001201833961 875894953 /nfs/dbraw/zinc/89/49/53/875894953.db2.gz HIWRSBFTEZSEKN-UHFFFAOYSA-N -1 3 390.571 3.676 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C2CCOCC2)c1 ZINC000529939278 876906887 /nfs/dbraw/zinc/90/68/87/876906887.db2.gz KPEBXNUJAOUAPY-UHFFFAOYSA-N -1 3 379.460 3.741 20 30 GHEDHM CC(C)(C)OC(=O)[C@@H](C([O-])=C(C#N)c1cnc2ccccc2n1)C1CCCC1 ZINC000850984802 877320480 /nfs/dbraw/zinc/32/04/80/877320480.db2.gz BXQZPUGVNJINSX-DNVCBOLYSA-N -1 3 379.460 3.954 20 30 GHEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)C2CC2)s1 ZINC000451247520 877659387 /nfs/dbraw/zinc/65/93/87/877659387.db2.gz MVIUNFRDINOSLG-OAHLLOKOSA-N -1 3 381.910 3.601 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@@H](C)OCc1ccccc1 ZINC000789012404 878534510 /nfs/dbraw/zinc/53/45/10/878534510.db2.gz SBQFNLLSZYKUOG-OAHLLOKOSA-N -1 3 382.460 3.747 20 30 GHEDHM CC(=O)Nc1cc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c(F)cc1F ZINC000789910403 879353154 /nfs/dbraw/zinc/35/31/54/879353154.db2.gz IPLTYNMQBRUQSO-UHFFFAOYSA-N -1 3 382.326 3.702 20 30 GHEDHM C#CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000785414104 879631914 /nfs/dbraw/zinc/63/19/14/879631914.db2.gz QTQGYLBEKSQSLP-UHFFFAOYSA-N -1 3 398.267 3.974 20 30 GHEDHM N#Cc1ccc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737719196 883987190 /nfs/dbraw/zinc/98/71/90/883987190.db2.gz RGFREWZWIVVQNP-UHFFFAOYSA-N -1 3 397.394 3.888 20 30 GHEDHM N#Cc1ccc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737719196 883987202 /nfs/dbraw/zinc/98/72/02/883987202.db2.gz RGFREWZWIVVQNP-UHFFFAOYSA-N -1 3 397.394 3.888 20 30 GHEDHM CN(C)c1ccc2c(c1)N(C)C(=O)C2=N[N-]c1nc(Cl)c(Cl)cc1Cl ZINC000761759024 884060968 /nfs/dbraw/zinc/06/09/68/884060968.db2.gz JDVCGUMTKALARD-UHFFFAOYSA-N -1 3 398.681 3.900 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000032084794 884204701 /nfs/dbraw/zinc/20/47/01/884204701.db2.gz UQKVJPLJTCOHED-UHFFFAOYSA-N -1 3 387.505 3.993 20 30 GHEDHM C=C(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000476203954 884247188 /nfs/dbraw/zinc/24/71/88/884247188.db2.gz XXXJOFHLRDQQSG-INIZCTEOSA-N -1 3 386.351 3.608 20 30 GHEDHM CCC(=NNc1ccc(S(C)(=O)=O)cc1)c1cc(Br)ccc1[O-] ZINC000914836042 884877030 /nfs/dbraw/zinc/87/70/30/884877030.db2.gz WDKKRUXRILAMIY-UHFFFAOYSA-N -1 3 397.294 3.784 20 30 GHEDHM CSc1nc([O-])c(C(=O)Nc2c(C(C)=O)ccc3ccccc32)cc1C#N ZINC001130902414 885356611 /nfs/dbraw/zinc/35/66/11/885356611.db2.gz RIKQSAJNBHLRKQ-UHFFFAOYSA-N -1 3 377.425 3.989 20 30 GHEDHM O=C(C[C@@H]1C(=O)Nc2c1cccc2F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184246856 913098476 /nfs/dbraw/zinc/09/84/76/913098476.db2.gz QZIHKEUURRZHDS-ZDUSSCGKSA-N -1 3 383.206 3.976 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000171727186 887094440 /nfs/dbraw/zinc/09/44/40/887094440.db2.gz RJIJFIKFOZWDFI-AWEZNQCLSA-N -1 3 379.485 3.888 20 30 GHEDHM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000119627174 887369423 /nfs/dbraw/zinc/36/94/23/887369423.db2.gz BJLMONMPHSGVAB-ZDUSSCGKSA-N -1 3 375.743 3.657 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c(OC)cc1[O-] ZINC000763105784 887666760 /nfs/dbraw/zinc/66/67/60/887666760.db2.gz SVHAPVWURXUVNP-HWKANZROSA-N -1 3 395.314 3.815 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc(-c3ccccc3)cc2C#N)c(=O)[n-]1 ZINC000194103658 888020045 /nfs/dbraw/zinc/02/00/45/888020045.db2.gz HPDMGXLWVDBPDD-UHFFFAOYSA-N -1 3 378.457 3.558 20 30 GHEDHM N#CCC1(OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCC1 ZINC000810856820 888960760 /nfs/dbraw/zinc/96/07/60/888960760.db2.gz GHFOODCMYSSQHF-UHFFFAOYSA-N -1 3 388.420 3.620 20 30 GHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000794942246 889008038 /nfs/dbraw/zinc/00/80/38/889008038.db2.gz LMBXNUQLYKXBIL-ALCCZGGFSA-N -1 3 388.338 3.605 20 30 GHEDHM N#CCc1ccsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000866765223 889030929 /nfs/dbraw/zinc/03/09/29/889030929.db2.gz WBEOJXGEAHTJJN-INIZCTEOSA-N -1 3 389.908 3.568 20 30 GHEDHM C=CCOc1ccccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000123740084 889383068 /nfs/dbraw/zinc/38/30/68/889383068.db2.gz GNQPPSNFFQEFLI-UHFFFAOYSA-N -1 3 391.265 3.719 20 30 GHEDHM COc1cc(/C=C/C(=O)c2ccc(NC(C)=O)cc2OC)cc(Cl)c1[O-] ZINC000747693052 889424574 /nfs/dbraw/zinc/42/45/74/889424574.db2.gz LJJMOPFPGQTQRL-QPJJXVBHSA-N -1 3 375.808 3.917 20 30 GHEDHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)c1cc(Cl)c(C#N)c(Cl)n1 ZINC001184796603 913440310 /nfs/dbraw/zinc/44/03/10/913440310.db2.gz YTOVIAZSCNQGTJ-UHFFFAOYSA-N -1 3 395.202 3.554 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(-c3cccs3)oc2C)c1 ZINC000916889879 890336389 /nfs/dbraw/zinc/33/63/89/890336389.db2.gz JQLFHKMNOZQHCV-CQSZACIVSA-N -1 3 381.413 3.681 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)cnc1C ZINC000873497401 891655730 /nfs/dbraw/zinc/65/57/30/891655730.db2.gz KFDNFJHRRKADKG-CQSZACIVSA-N -1 3 391.349 3.769 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000873622870 891714294 /nfs/dbraw/zinc/71/42/94/891714294.db2.gz NPDYMUBSOSBDDO-XLIONFOSSA-N -1 3 380.444 3.672 20 30 GHEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000130503278 891798407 /nfs/dbraw/zinc/79/84/07/891798407.db2.gz PIGYDJPCBBNZOB-CQSZACIVSA-N -1 3 379.247 3.906 20 30 GHEDHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc2F)c1 ZINC000128693857 892287007 /nfs/dbraw/zinc/28/70/07/892287007.db2.gz GLGHWAQMNNDIIO-UHFFFAOYSA-N -1 3 398.463 3.922 20 30 GHEDHM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c12 ZINC000041561234 896409330 /nfs/dbraw/zinc/40/93/30/896409330.db2.gz SPMLLHKMYWCODM-GOSISDBHSA-N -1 3 396.454 3.841 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000826249013 896634971 /nfs/dbraw/zinc/63/49/71/896634971.db2.gz HPHDAKJVRQVTEL-UHFFFAOYSA-N -1 3 394.438 3.644 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000826249013 896634977 /nfs/dbraw/zinc/63/49/77/896634977.db2.gz HPHDAKJVRQVTEL-UHFFFAOYSA-N -1 3 394.438 3.644 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000820471073 897348551 /nfs/dbraw/zinc/34/85/51/897348551.db2.gz MLOPWKJHKPAOIG-CQSZACIVSA-N -1 3 394.855 3.740 20 30 GHEDHM CC(C)C[C@@](C)(C#N)NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185941257 914184724 /nfs/dbraw/zinc/18/47/24/914184724.db2.gz YVNRUHNWSIHRRV-QFIPXVFZSA-N -1 3 387.524 3.907 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)cc1-c1nnn[n-]1 ZINC000822829650 898658410 /nfs/dbraw/zinc/65/84/10/898658410.db2.gz BRTSNDCZMPJOPA-UHFFFAOYSA-N -1 3 399.241 3.715 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)cc1-c1nn[n-]n1 ZINC000822829650 898658415 /nfs/dbraw/zinc/65/84/15/898658415.db2.gz BRTSNDCZMPJOPA-UHFFFAOYSA-N -1 3 399.241 3.715 20 30 GHEDHM C#CCCCCC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823842240 899274229 /nfs/dbraw/zinc/27/42/29/899274229.db2.gz ZKIOHWOUNNWUTN-UHFFFAOYSA-N -1 3 381.480 3.635 20 30 GHEDHM C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823903720 899292764 /nfs/dbraw/zinc/29/27/64/899292764.db2.gz IPKURTJTJUYCIA-INIZCTEOSA-N -1 3 388.475 3.978 20 30 GHEDHM C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823903720 899292779 /nfs/dbraw/zinc/29/27/79/899292779.db2.gz IPKURTJTJUYCIA-INIZCTEOSA-N -1 3 388.475 3.978 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000117731370 899391265 /nfs/dbraw/zinc/39/12/65/899391265.db2.gz BKGWQDZCOJKLID-LBPRGKRZSA-N -1 3 392.286 3.980 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc2ccccc21 ZINC000156167050 899461786 /nfs/dbraw/zinc/46/17/86/899461786.db2.gz GZOXGZDSIXHCJT-ZDUSSCGKSA-N -1 3 381.413 3.659 20 30 GHEDHM C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824522082 899657087 /nfs/dbraw/zinc/65/70/87/899657087.db2.gz PUGQCONLNOUSBB-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824522082 899657093 /nfs/dbraw/zinc/65/70/93/899657093.db2.gz PUGQCONLNOUSBB-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000332441078 899673084 /nfs/dbraw/zinc/67/30/84/899673084.db2.gz BYQWQJUQLBCCSE-WFASDCNBSA-N -1 3 381.451 3.882 20 30 GHEDHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000157217442 900346905 /nfs/dbraw/zinc/34/69/05/900346905.db2.gz CTJHMNWPORIYLS-LBPRGKRZSA-N -1 3 391.474 3.618 20 30 GHEDHM COc1ccc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CCC2)cc1 ZINC000885411210 900486838 /nfs/dbraw/zinc/48/68/38/900486838.db2.gz WRAHIYLUWWUVSO-JOCHJYFZSA-N -1 3 393.487 3.875 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(c1cccs1)c1cccs1 ZINC000122630514 901812791 /nfs/dbraw/zinc/81/27/91/901812791.db2.gz VXGHNDGIQORDHX-UHFFFAOYSA-N -1 3 397.525 3.825 20 30 GHEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2nc(OC)cnc2Cl)c(F)c1F ZINC001186713530 914741612 /nfs/dbraw/zinc/74/16/12/914741612.db2.gz OSUBQNXRPROLKN-UHFFFAOYSA-N -1 3 375.709 3.676 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000265283392 903774835 /nfs/dbraw/zinc/77/48/35/903774835.db2.gz SCXGABNDMJXYAV-UHFFFAOYSA-N -1 3 381.451 3.581 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(OCc2ccccc2)cc1C(F)(F)F ZINC001171369630 904366379 /nfs/dbraw/zinc/36/63/79/904366379.db2.gz WTFBXOWKANGCON-SJCJKPOMSA-N -1 3 380.366 3.932 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(O[C@H](C)CC)c1 ZINC000777300976 905669511 /nfs/dbraw/zinc/66/95/11/905669511.db2.gz BJVVAPODVMSPPF-GDBMZVCRSA-N -1 3 381.432 3.619 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCCOC)c2)cc1 ZINC000777303705 905725520 /nfs/dbraw/zinc/72/55/20/905725520.db2.gz FTXFYCOGWLNSDB-KXBFYZLASA-N -1 3 395.459 3.581 20 30 GHEDHM C=CC[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000628491121 906169719 /nfs/dbraw/zinc/16/97/19/906169719.db2.gz PORWXPBNMPEQOE-JTQLQIEISA-N -1 3 395.684 3.982 20 30 GHEDHM C=C(C)[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)c(F)c1 ZINC000186057109 907873018 /nfs/dbraw/zinc/87/30/18/907873018.db2.gz UNBMKDYAFARVBZ-FQEVSTJZSA-N -1 3 385.414 3.508 20 30 GHEDHM COCCOc1c(Cl)cc(/N=C/c2c([O-])c(C)ncc2CO)cc1Cl ZINC000271549164 910953120 /nfs/dbraw/zinc/95/31/20/910953120.db2.gz RVYODYJUTBAAJZ-ODCIPOBUSA-N -1 3 385.247 3.671 20 30 GHEDHM COc1ccccc1C1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CC1 ZINC000293369882 916156070 /nfs/dbraw/zinc/15/60/70/916156070.db2.gz OXCFIOALOZYPMB-UHFFFAOYSA-N -1 3 390.443 3.532 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1Cl ZINC001189412947 916618047 /nfs/dbraw/zinc/61/80/47/916618047.db2.gz POSAIPWRCFUDNO-CYBMUJFWSA-N -1 3 388.798 3.836 20 30 GHEDHM CC(C)C[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001189773806 916908460 /nfs/dbraw/zinc/90/84/60/916908460.db2.gz NAEFHCVPJJRMGN-CYBMUJFWSA-N -1 3 379.707 3.709 20 30 GHEDHM C=CCCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001190107914 917101369 /nfs/dbraw/zinc/10/13/69/917101369.db2.gz GMCSIZOPTPJETL-UHFFFAOYSA-N -1 3 391.287 3.772 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC(c2ccccc2)c2ccccc2)c1 ZINC001190608028 917446202 /nfs/dbraw/zinc/44/62/02/917446202.db2.gz ILLHXIHIHVCWJG-UHFFFAOYSA-N -1 3 380.444 3.808 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCc2ccc(C(F)(F)F)cc2)c1 ZINC001190669014 917457893 /nfs/dbraw/zinc/45/78/93/917457893.db2.gz FLRKHYYJYUGZAL-UHFFFAOYSA-N -1 3 386.370 3.627 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000295884751 917576727 /nfs/dbraw/zinc/57/67/27/917576727.db2.gz WBOIBFQIPMVCFK-BBRMVZONSA-N -1 3 383.414 3.836 20 30 GHEDHM C=CCCSCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001192254846 918541813 /nfs/dbraw/zinc/54/18/13/918541813.db2.gz LLQIVLWGKQKWKT-UHFFFAOYSA-N -1 3 384.748 3.690 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(-c2cccnc2)c1 ZINC000363815011 918887305 /nfs/dbraw/zinc/88/73/05/918887305.db2.gz HBIXLPMZMMBNMC-UHFFFAOYSA-N -1 3 386.455 3.587 20 30 GHEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC000901372032 921047498 /nfs/dbraw/zinc/04/74/98/921047498.db2.gz NWJOEGDZCFXHER-UHFFFAOYSA-N -1 3 384.411 3.534 20 30 GHEDHM O=C([C@@H]1CCOc2ccc(Br)cc21)N([O-])Cc1ccc(F)cc1 ZINC000901372516 921047556 /nfs/dbraw/zinc/04/75/56/921047556.db2.gz FRBLGFGVGRUCCV-CQSZACIVSA-N -1 3 380.213 3.872 20 30 GHEDHM O=C(c1ccc(Cn2cncn2)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380362 921058515 /nfs/dbraw/zinc/05/85/15/921058515.db2.gz WJBXOKMWFHQUBM-UHFFFAOYSA-N -1 3 377.231 3.665 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2ccc(NS(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000726427412 926659501 /nfs/dbraw/zinc/65/95/01/926659501.db2.gz LTEAOIQTCKUVLC-WTKPLQERSA-N -1 3 395.864 3.712 20 30 GHEDHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000374593330 927319160 /nfs/dbraw/zinc/31/91/60/927319160.db2.gz IRQDOWAIXAOXAF-SPLOXXLWSA-N -1 3 393.487 3.827 20 30 GHEDHM Cc1ncc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(=O)[n-]1 ZINC000544222299 928950644 /nfs/dbraw/zinc/95/06/44/928950644.db2.gz KRKIPNNQFILWIK-UHFFFAOYSA-N -1 3 389.415 3.785 20 30 GHEDHM [O-]c1c(O)cc(CN=Nc2ncccc2C(F)(F)F)cc1Br ZINC000757579453 929734300 /nfs/dbraw/zinc/73/43/00/929734300.db2.gz NSUVWNHWMJQUKN-UHFFFAOYSA-N -1 3 376.132 3.720 20 30 GHEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccc(-c2ccccc2)o1 ZINC000784828720 932010177 /nfs/dbraw/zinc/01/01/77/932010177.db2.gz RWGPQQGGBWLYQJ-INIZCTEOSA-N -1 3 388.379 3.679 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000797571512 932331902 /nfs/dbraw/zinc/33/19/02/932331902.db2.gz SJEUJSHCJNKUOO-CQSZACIVSA-N -1 3 387.480 3.906 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Oc3ccccc3)cn2)cc1 ZINC000799603166 933060028 /nfs/dbraw/zinc/06/00/28/933060028.db2.gz DPBZCYWAGQWHKW-IBGZPJMESA-N -1 3 387.395 3.844 20 30 GHEDHM C#Cc1cccc(N(CCOc2ccccc2-c2nnn[n-]2)Cc2ccccc2)c1 ZINC001573289877 946894538 /nfs/dbraw/zinc/89/45/38/946894538.db2.gz FMUCQWNHWNFOJJ-UHFFFAOYSA-N -1 3 395.466 3.934 20 30 GHEDHM C#Cc1cccc(N(CCOc2ccccc2-c2nn[n-]n2)Cc2ccccc2)c1 ZINC001573289877 946894549 /nfs/dbraw/zinc/89/45/49/946894549.db2.gz FMUCQWNHWNFOJJ-UHFFFAOYSA-N -1 3 395.466 3.934 20 30 GHEDHM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1cc2c(cc1[O-])CCC2=O ZINC001228855096 1033137732 /nfs/dbraw/zinc/13/77/32/1033137732.db2.gz CEUBWDRUVIWDMO-AWEZNQCLSA-N -1 3 376.330 4.000 20 30 GHEDHM Cc1ccn(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(=NC2CCCCC2)c1 ZINC000841921939 1028999684 /nfs/dbraw/zinc/99/96/84/1028999684.db2.gz SFSQERJUVNOYNU-UHFFFAOYSA-N -1 3 392.503 3.892 20 30 GHEDHM C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142649889 1029208384 /nfs/dbraw/zinc/20/83/84/1029208384.db2.gz NRABZYZQOIKRQL-HXUWFJFHSA-N -1 3 376.884 3.571 20 30 GHEDHM COCCn1c(C(=O)Nc2ccc([O-])c(C#N)c2)cc2c1c1ccccc1n2C ZINC001150244685 1030464040 /nfs/dbraw/zinc/46/40/40/1030464040.db2.gz DJSXJMBTODPMEZ-UHFFFAOYSA-N -1 3 388.427 3.609 20 30 GHEDHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H](C)C#C[Si](C)(C)C)nc21 ZINC001223402094 1030554417 /nfs/dbraw/zinc/55/44/17/1030554417.db2.gz CSJOUDULTVREOW-DIFFPNOSSA-N -1 3 382.895 3.954 20 30 GHEDHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H](C)C#C[Si](C)(C)C)[n-]c21 ZINC001223402094 1030554424 /nfs/dbraw/zinc/55/44/24/1030554424.db2.gz CSJOUDULTVREOW-DIFFPNOSSA-N -1 3 382.895 3.954 20 30 GHEDHM O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1O[C@@H]1CCc2nccn2C1 ZINC001229267353 1033380431 /nfs/dbraw/zinc/38/04/31/1033380431.db2.gz BJGBPJOITIVSES-KDEAJPOZSA-N -1 3 376.412 3.584 20 30 GHEDHM C=C[C@@H]1O[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001229937988 1033802712 /nfs/dbraw/zinc/80/27/12/1033802712.db2.gz SHWNWHROTUHBDP-GRELCRBFSA-N -1 3 381.428 3.953 20 30 GHEDHM N#CC[C@@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1ccccc1 ZINC001230188830 1033936659 /nfs/dbraw/zinc/93/66/59/1033936659.db2.gz NTTDEKUKZJRLCK-OAQYLSRUSA-N -1 3 386.455 3.774 20 30 GHEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CCCN(C)C2)c1OC ZINC001230439747 1034058435 /nfs/dbraw/zinc/05/84/35/1034058435.db2.gz HAVDJBSVYWLYDH-FMQWLBJXSA-N -1 3 397.471 3.779 20 30 GHEDHM Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC001207755655 1034559120 /nfs/dbraw/zinc/55/91/20/1034559120.db2.gz ATUDJKLRFQXFEH-CQSZACIVSA-N -1 3 391.374 3.567 20 30 GHEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001231523418 1034675533 /nfs/dbraw/zinc/67/55/33/1034675533.db2.gz TWLOJKASRNMJPZ-IBGZPJMESA-N -1 3 382.426 3.944 20 30 GHEDHM [O-]c1ccc(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc1C(F)(F)F ZINC001231524072 1034677188 /nfs/dbraw/zinc/67/71/88/1034677188.db2.gz LUIXBAMSSBQDHB-OLZOCXBDSA-N -1 3 375.284 3.638 20 30 GHEDHM Cc1ccc(-c2csc(C(=O)N[C@@H]3CCCN([O-])C3=O)c2-n2cccc2)cc1 ZINC001159641493 1034700359 /nfs/dbraw/zinc/70/03/59/1034700359.db2.gz NMARCRUPSSABSI-QGZVFWFLSA-N -1 3 395.484 3.624 20 30 GHEDHM COC(=O)c1cccc([C@H](C)Nc2nc(SC)nc(Cl)c2/C=N/[O-])c1 ZINC001159954190 1034800323 /nfs/dbraw/zinc/80/03/23/1034800323.db2.gz HIMLMJGXJVOYBJ-ZBPACCJBSA-N -1 3 380.857 3.620 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001160178043 1034891654 /nfs/dbraw/zinc/89/16/54/1034891654.db2.gz AYXPCUSYBARJIF-XOBRGWDASA-N -1 3 376.416 3.584 20 30 GHEDHM O=C([C@H]1C[C@]12C(=O)Nc1ccccc12)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785477 1035301484 /nfs/dbraw/zinc/30/14/84/1035301484.db2.gz XHMAFSUWOMYLIJ-RDTXWAMCSA-N -1 3 377.227 3.621 20 30 GHEDHM CCCCN([O-])C(=O)COc1ccc(CCCNC(=O)OC(C)(C)C)cc1 ZINC001161831460 1035311382 /nfs/dbraw/zinc/31/13/82/1035311382.db2.gz ATENZZWABJSXCE-UHFFFAOYSA-N -1 3 380.485 3.541 20 30 GHEDHM Cc1cc(F)cc(-n2cc(C(=O)N([O-])Cc3cccc4ccccc43)nn2)c1 ZINC001161842333 1035313760 /nfs/dbraw/zinc/31/37/60/1035313760.db2.gz BEGVETSNEOGEIN-UHFFFAOYSA-N -1 3 376.391 3.900 20 30 GHEDHM CCCCCC[C@@](CC)([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCC ZINC001260049619 1045371530 /nfs/dbraw/zinc/37/15/30/1045371530.db2.gz PEJVTQNNOXUTJF-HXUWFJFHSA-N -1 3 394.537 3.660 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC001261021731 1045850233 /nfs/dbraw/zinc/85/02/33/1045850233.db2.gz XLQJDKJKLOQYHL-AWEZNQCLSA-N -1 3 376.306 3.527 20 30 GHEDHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)cc1 ZINC001463055474 1070760795 /nfs/dbraw/zinc/76/07/95/1070760795.db2.gz KRHHIGDZIRIRAD-LBPRGKRZSA-N -1 3 391.474 3.618 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(F)(F)CC1 ZINC001262931990 1046430639 /nfs/dbraw/zinc/43/06/39/1046430639.db2.gz BPJJXUOSEXRTPO-UHFFFAOYSA-N -1 3 377.420 3.682 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001263306805 1046704492 /nfs/dbraw/zinc/70/44/92/1046704492.db2.gz JEDHWBAOEBLONH-AWEZNQCLSA-N -1 3 392.381 3.743 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001343286406 1053678179 /nfs/dbraw/zinc/67/81/79/1053678179.db2.gz FPGHJLXGWUHUCO-MAUKXSAKSA-N -1 3 390.491 3.708 20 30 GHEDHM CCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC001343509652 1053827678 /nfs/dbraw/zinc/82/76/78/1053827678.db2.gz LVCHSBMFSPGIOP-LBPRGKRZSA-N -1 3 379.247 3.870 20 30 GHEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3ncc(C(N)=O)cc3Cl)sc2CC[C@@H]1C ZINC001344968624 1054830278 /nfs/dbraw/zinc/83/02/78/1054830278.db2.gz CDUBPSVPDJFTPU-DTWKUNHWSA-N -1 3 388.880 3.705 20 30 GHEDHM C[C@]1(C#N)CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001345295695 1054976830 /nfs/dbraw/zinc/97/68/30/1054976830.db2.gz OAAPFQLCSYWLEC-HXUWFJFHSA-N -1 3 394.504 3.800 20 30 GHEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc([N+](=O)[O-])c1 ZINC001322097759 1056516694 /nfs/dbraw/zinc/51/66/94/1056516694.db2.gz WYHVFRJKYQDFOC-UHFFFAOYSA-N -1 3 396.428 3.505 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(SC(C)(C)C)c2)c1 ZINC001356058752 1057372759 /nfs/dbraw/zinc/37/27/59/1057372759.db2.gz GMNWUBZWKHSQCY-INIZCTEOSA-N -1 3 383.473 3.942 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C[C@@H](C)c1ccccc1 ZINC001341836979 1060916460 /nfs/dbraw/zinc/91/64/60/1060916460.db2.gz BEPMIDBTBOJWEO-OAHLLOKOSA-N -1 3 378.480 3.565 20 30 GHEDHM C#CCCCCCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454925020 1061957264 /nfs/dbraw/zinc/95/72/64/1061957264.db2.gz IVABGZNCSBFOGS-OAHLLOKOSA-N -1 3 380.410 3.769 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N([O-])Cc1ccccc1Cl ZINC001457993898 1063494397 /nfs/dbraw/zinc/49/43/97/1063494397.db2.gz NSNKFOMSVQUANU-LBPRGKRZSA-N -1 3 397.233 3.903 20 30 GHEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC(=C)C)Cc2cnn(C(C)C)c2)c1 ZINC001349835402 1063923964 /nfs/dbraw/zinc/92/39/64/1063923964.db2.gz QJXPSBHDZRPQCR-UHFFFAOYSA-N -1 3 382.464 3.513 20 30 GHEDHM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)OCC ZINC001438906621 1064137624 /nfs/dbraw/zinc/13/76/24/1064137624.db2.gz ABPQPBPFBKVSMI-CYBMUJFWSA-N -1 3 390.224 3.555 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Oc2cccnc2)cc1 ZINC001463668935 1064542044 /nfs/dbraw/zinc/54/20/44/1064542044.db2.gz YUKWORHGFFABJG-ZDUSSCGKSA-N -1 3 385.470 3.847 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)ccc1F ZINC001353260693 1065813395 /nfs/dbraw/zinc/81/33/95/1065813395.db2.gz FPZKHWOHAXHASH-DOTOQJQBSA-N -1 3 396.528 3.625 20 30 GHEDHM C[C@H](NC(=O)Nc1ccc(C(F)(F)F)c(F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001467073020 1067049332 /nfs/dbraw/zinc/04/93/32/1067049332.db2.gz GIGXHCPYLBOMHW-YFKPBYRVSA-N -1 3 385.243 3.864 20 30 GHEDHM N#CC(=C([O-])c1cnn(-c2cccc(Br)c2)c1)c1cccc(F)n1 ZINC001357580282 1067174495 /nfs/dbraw/zinc/17/44/95/1067174495.db2.gz LWDFMVLQFSMRHD-CQSZACIVSA-N -1 3 385.196 3.659 20 30 GHEDHM Cc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)c(Sc2ccc(Cl)cc2)c1 ZINC001468373248 1067708519 /nfs/dbraw/zinc/70/85/19/1067708519.db2.gz MFSLTWOLKCWPQC-HNNXBMFYSA-N -1 3 376.865 3.520 20 30 GHEDHM CCCCCCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001475793917 1075023018 /nfs/dbraw/zinc/02/30/18/1075023018.db2.gz RGEGXFRXVXOJTK-UZLBHIALSA-N -1 3 381.538 3.842 20 30 GHEDHM O=C1c2cccc(Br)c2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738292114 598862576 /nfs/dbraw/zinc/86/25/76/598862576.db2.gz WFVCNWAGGQHHRH-XFXZXTDPSA-N -1 3 397.232 3.678 20 30 GHEDHM O=C1c2cccc(Br)c2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738292114 598862578 /nfs/dbraw/zinc/86/25/78/598862578.db2.gz WFVCNWAGGQHHRH-XFXZXTDPSA-N -1 3 397.232 3.678 20 30 GHEDHM COc1ccccc1-c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821877727 607252700 /nfs/dbraw/zinc/25/27/00/607252700.db2.gz RWJDVJGAHXAQKP-UHFFFAOYSA-N -1 3 384.443 3.666 20 30 GHEDHM COc1ccccc1-c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821877727 607252701 /nfs/dbraw/zinc/25/27/01/607252701.db2.gz RWJDVJGAHXAQKP-UHFFFAOYSA-N -1 3 384.443 3.666 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)ccc1-c1nnn[n-]1 ZINC000737708313 598928877 /nfs/dbraw/zinc/92/88/77/598928877.db2.gz DYAISYCNDVJQSR-UHFFFAOYSA-N -1 3 378.395 3.562 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)ccc1-c1nn[n-]n1 ZINC000737708313 598928879 /nfs/dbraw/zinc/92/88/79/598928879.db2.gz DYAISYCNDVJQSR-UHFFFAOYSA-N -1 3 378.395 3.562 20 30 GHEDHM COc1ccc(C=CC(=O)c2c[nH]c3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000737080950 599155060 /nfs/dbraw/zinc/15/50/60/599155060.db2.gz JLTHQCZKZLDLOL-QHHAFSJGSA-N -1 3 379.807 3.906 20 30 GHEDHM COc1ccc(C=CC(=O)c2c[nH]c3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000737080950 599155061 /nfs/dbraw/zinc/15/50/61/599155061.db2.gz JLTHQCZKZLDLOL-QHHAFSJGSA-N -1 3 379.807 3.906 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1ccc(-c2nnn[n-]2)cc1F ZINC000737698499 599238030 /nfs/dbraw/zinc/23/80/30/599238030.db2.gz ZSIMDIDSGCDZAR-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1ccc(-c2nn[n-]n2)cc1F ZINC000737698499 599238031 /nfs/dbraw/zinc/23/80/31/599238031.db2.gz ZSIMDIDSGCDZAR-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000736823289 599269344 /nfs/dbraw/zinc/26/93/44/599269344.db2.gz VBKMPBMMKOESDB-UHFFFAOYSA-N -1 3 375.823 3.576 20 30 GHEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000736823289 599269346 /nfs/dbraw/zinc/26/93/46/599269346.db2.gz VBKMPBMMKOESDB-UHFFFAOYSA-N -1 3 375.823 3.576 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735974508 598564635 /nfs/dbraw/zinc/56/46/35/598564635.db2.gz KUWRMQSFMYYIEW-ZDUSSCGKSA-N -1 3 393.476 3.583 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735974508 598564637 /nfs/dbraw/zinc/56/46/37/598564637.db2.gz KUWRMQSFMYYIEW-ZDUSSCGKSA-N -1 3 393.476 3.583 20 30 GHEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000736192874 598607588 /nfs/dbraw/zinc/60/75/88/598607588.db2.gz NXHNIRMNNNBILC-QMMMGPOBSA-N -1 3 391.382 3.588 20 30 GHEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000736192874 598607590 /nfs/dbraw/zinc/60/75/90/598607590.db2.gz NXHNIRMNNNBILC-QMMMGPOBSA-N -1 3 391.382 3.588 20 30 GHEDHM N#Cc1cc(F)ccc1COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737705743 598704872 /nfs/dbraw/zinc/70/48/72/598704872.db2.gz RAAPNXPMXLKNAI-UHFFFAOYSA-N -1 3 399.385 3.901 20 30 GHEDHM N#Cc1cc(F)ccc1COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737705743 598704873 /nfs/dbraw/zinc/70/48/73/598704873.db2.gz RAAPNXPMXLKNAI-UHFFFAOYSA-N -1 3 399.385 3.901 20 30 GHEDHM C[C@H](Nc1c(C#N)cnc2c(F)cc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137881 598770295 /nfs/dbraw/zinc/77/02/95/598770295.db2.gz MNGNQBWTWDBTAT-JTQLQIEISA-N -1 3 377.358 3.738 20 30 GHEDHM C[C@H](Nc1c(C#N)cnc2c(F)cc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137881 598770296 /nfs/dbraw/zinc/77/02/96/598770296.db2.gz MNGNQBWTWDBTAT-JTQLQIEISA-N -1 3 377.358 3.738 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735977666 599329501 /nfs/dbraw/zinc/32/95/01/599329501.db2.gz WLLWUHOKYRTDPF-CQSZACIVSA-N -1 3 380.477 3.752 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735977666 599329504 /nfs/dbraw/zinc/32/95/04/599329504.db2.gz WLLWUHOKYRTDPF-CQSZACIVSA-N -1 3 380.477 3.752 20 30 GHEDHM Cc1c(C(=O)C=Cc2cnc(C(C)(C)C)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202481 599463391 /nfs/dbraw/zinc/46/33/91/599463391.db2.gz MUQQHYWFRXKMIX-BQYQJAHWSA-N -1 3 382.493 3.573 20 30 GHEDHM Cc1c(C(=O)C=Cc2cnc(C(C)(C)C)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202481 599463393 /nfs/dbraw/zinc/46/33/93/599463393.db2.gz MUQQHYWFRXKMIX-BQYQJAHWSA-N -1 3 382.493 3.573 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000735420855 599614106 /nfs/dbraw/zinc/61/41/06/599614106.db2.gz VCLRYLLFPRQJIZ-AWEZNQCLSA-N -1 3 396.520 3.565 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000735420855 599614108 /nfs/dbraw/zinc/61/41/08/599614108.db2.gz VCLRYLLFPRQJIZ-AWEZNQCLSA-N -1 3 396.520 3.565 20 30 GHEDHM CCC(C)(C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820848544 599684495 /nfs/dbraw/zinc/68/44/95/599684495.db2.gz YOSPGILOZBWLLW-AWEZNQCLSA-N -1 3 380.477 3.993 20 30 GHEDHM CCC(C)(C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820848544 599684496 /nfs/dbraw/zinc/68/44/96/599684496.db2.gz YOSPGILOZBWLLW-AWEZNQCLSA-N -1 3 380.477 3.993 20 30 GHEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000739105641 600561842 /nfs/dbraw/zinc/56/18/42/600561842.db2.gz NMFYONJLKWJOMK-SFHVURJKSA-N -1 3 389.377 3.525 20 30 GHEDHM N#Cc1ccc([C@H](NCc2cccc(NC(=O)c3ccccc3)c2)C(=O)[O-])cc1 ZINC000739106479 600594037 /nfs/dbraw/zinc/59/40/37/600594037.db2.gz NEWICJXQTGSIJX-NRFANRHFSA-N -1 3 385.423 3.726 20 30 GHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000736662744 600595826 /nfs/dbraw/zinc/59/58/26/600595826.db2.gz SSJGMZHCYSZVNS-SJKOYZFVSA-N -1 3 378.350 3.976 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1sccc1Br ZINC000822922580 607458775 /nfs/dbraw/zinc/45/87/75/607458775.db2.gz HSZDHHLEEIIQNZ-ARJAWSKDSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1sccc1Br ZINC000822922580 607458777 /nfs/dbraw/zinc/45/87/77/607458777.db2.gz HSZDHHLEEIIQNZ-ARJAWSKDSA-N -1 3 379.214 3.726 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064921 601236982 /nfs/dbraw/zinc/23/69/82/601236982.db2.gz YFTCXJNYJXPBBW-BFVZDQMLSA-N -1 3 383.231 3.532 20 30 GHEDHM FC(F)(F)c1ccc(CON=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000826368457 607533264 /nfs/dbraw/zinc/53/32/64/607533264.db2.gz QGLLGCOCNRUTRL-UHFFFAOYSA-N -1 3 386.337 3.918 20 30 GHEDHM FC(F)(F)c1ccc(CON=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000826368457 607533268 /nfs/dbraw/zinc/53/32/68/607533268.db2.gz QGLLGCOCNRUTRL-UHFFFAOYSA-N -1 3 386.337 3.918 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740277696 602670182 /nfs/dbraw/zinc/67/01/82/602670182.db2.gz MFQHALLNOCQBHA-HZPDHXFCSA-N -1 3 376.416 3.539 20 30 GHEDHM CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821207268 606151973 /nfs/dbraw/zinc/15/19/73/606151973.db2.gz JYJKFWFBXZQSBT-UHFFFAOYSA-N -1 3 391.435 3.735 20 30 GHEDHM CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821207268 606151974 /nfs/dbraw/zinc/15/19/74/606151974.db2.gz JYJKFWFBXZQSBT-UHFFFAOYSA-N -1 3 391.435 3.735 20 30 GHEDHM C=CCN(CC=C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819739909 606298745 /nfs/dbraw/zinc/29/87/45/606298745.db2.gz KKTKKVVSMAGJGU-UHFFFAOYSA-N -1 3 377.473 3.832 20 30 GHEDHM C=CCN(CC=C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819739909 606298747 /nfs/dbraw/zinc/29/87/47/606298747.db2.gz KKTKKVVSMAGJGU-UHFFFAOYSA-N -1 3 377.473 3.832 20 30 GHEDHM N#Cc1csc(C=C2CSCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822845740 606304392 /nfs/dbraw/zinc/30/43/92/606304392.db2.gz GGZJXXQKLLZLRL-VGNCUPIHSA-N -1 3 397.510 3.644 20 30 GHEDHM N#Cc1csc(C=C2CSCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822845740 606304395 /nfs/dbraw/zinc/30/43/95/606304395.db2.gz GGZJXXQKLLZLRL-VGNCUPIHSA-N -1 3 397.510 3.644 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504760 606391396 /nfs/dbraw/zinc/39/13/96/606391396.db2.gz UJXZEZLYPJZSAB-CLTKARDFSA-N -1 3 391.225 3.652 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)OC1CCCCC1 ZINC000819743190 606717536 /nfs/dbraw/zinc/71/75/36/606717536.db2.gz FGMLOSCVEXRTNN-LJQANCHMSA-N -1 3 383.496 3.509 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)OC1CCCCC1 ZINC000819743190 606717537 /nfs/dbraw/zinc/71/75/37/606717537.db2.gz FGMLOSCVEXRTNN-LJQANCHMSA-N -1 3 383.496 3.509 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(Br)ccc1F ZINC000822922774 606836771 /nfs/dbraw/zinc/83/67/71/606836771.db2.gz JPDZZJWJVIGOTB-DJWKRKHSSA-N -1 3 379.214 3.726 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000823910117 607924882 /nfs/dbraw/zinc/92/48/82/607924882.db2.gz XPSOTGDRYBVYKI-FQEVSTJZSA-N -1 3 393.466 3.960 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000823910117 607924883 /nfs/dbraw/zinc/92/48/83/607924883.db2.gz XPSOTGDRYBVYKI-FQEVSTJZSA-N -1 3 393.466 3.960 20 30 GHEDHM N#Cc1ccccc1SCCOCCSc1ccccc1-c1nnn[n-]1 ZINC000826387259 608111027 /nfs/dbraw/zinc/11/10/27/608111027.db2.gz MQNAKKCXQLVODL-UHFFFAOYSA-N -1 3 383.502 3.639 20 30 GHEDHM N#Cc1ccccc1SCCOCCSc1ccccc1-c1nn[n-]n1 ZINC000826387259 608111028 /nfs/dbraw/zinc/11/10/28/608111028.db2.gz MQNAKKCXQLVODL-UHFFFAOYSA-N -1 3 383.502 3.639 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000824722911 608185438 /nfs/dbraw/zinc/18/54/38/608185438.db2.gz KHWXKBKPJFWSFH-SNVBAGLBSA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000824722911 608185439 /nfs/dbraw/zinc/18/54/39/608185439.db2.gz KHWXKBKPJFWSFH-SNVBAGLBSA-N -1 3 387.321 3.675 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c(C)cc(C)cc1C ZINC000823909575 608300692 /nfs/dbraw/zinc/30/06/92/608300692.db2.gz JRJOUFZJLPPDPV-UHFFFAOYSA-N -1 3 375.476 3.549 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c(C)cc(C)cc1C ZINC000823909575 608300693 /nfs/dbraw/zinc/30/06/93/608300693.db2.gz JRJOUFZJLPPDPV-UHFFFAOYSA-N -1 3 375.476 3.549 20 30 GHEDHM CSc1ccc2c(c1)CCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826230944 608540966 /nfs/dbraw/zinc/54/09/66/608540966.db2.gz QBXREZBGBUFQQQ-UHFFFAOYSA-N -1 3 385.884 3.790 20 30 GHEDHM CSc1ccc2c(c1)CCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826230944 608540968 /nfs/dbraw/zinc/54/09/68/608540968.db2.gz QBXREZBGBUFQQQ-UHFFFAOYSA-N -1 3 385.884 3.790 20 30 GHEDHM C=CCN(Cc1cnc(-c2ccccn2)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915461 608633623 /nfs/dbraw/zinc/63/36/23/608633623.db2.gz YNNRSEBSFQCEAX-UHFFFAOYSA-N -1 3 389.488 3.573 20 30 GHEDHM N#Cc1cccc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000826387317 608869803 /nfs/dbraw/zinc/86/98/03/608869803.db2.gz PDUAVWYNMAQIPS-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cccc(NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000826387317 608869807 /nfs/dbraw/zinc/86/98/07/608869807.db2.gz PDUAVWYNMAQIPS-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cc(C=C2CCC(=Cc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)ccc1F ZINC000826383791 608874767 /nfs/dbraw/zinc/87/47/67/608874767.db2.gz QBCNPTSRTNEYKZ-UOUVAZQYSA-N -1 3 389.365 3.846 20 30 GHEDHM N#Cc1cc(C=C2CCC(=Cc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)ccc1F ZINC000826383791 608874769 /nfs/dbraw/zinc/87/47/69/608874769.db2.gz QBCNPTSRTNEYKZ-UOUVAZQYSA-N -1 3 389.365 3.846 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1 ZINC000826233948 608877328 /nfs/dbraw/zinc/87/73/28/608877328.db2.gz BAAGNRIFBHNRDD-OQFOIZHKSA-N -1 3 392.369 3.535 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1 ZINC000826233948 608877331 /nfs/dbraw/zinc/87/73/31/608877331.db2.gz BAAGNRIFBHNRDD-OQFOIZHKSA-N -1 3 392.369 3.535 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1OC(F)F ZINC000826215761 609269866 /nfs/dbraw/zinc/26/98/66/609269866.db2.gz YJHQTQTUQYRDTQ-VURMDHGXSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1OC(F)F ZINC000826215761 609269867 /nfs/dbraw/zinc/26/98/67/609269867.db2.gz YJHQTQTUQYRDTQ-VURMDHGXSA-N -1 3 390.321 3.512 20 30 GHEDHM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403478 609273178 /nfs/dbraw/zinc/27/31/78/609273178.db2.gz TYCMPWRGPVMMFH-DAFODLJHSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403478 609273180 /nfs/dbraw/zinc/27/31/80/609273180.db2.gz TYCMPWRGPVMMFH-DAFODLJHSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401068 609274732 /nfs/dbraw/zinc/27/47/32/609274732.db2.gz OVSXBYOIYRQAMU-BAQGIRSFSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401068 609274733 /nfs/dbraw/zinc/27/47/33/609274733.db2.gz OVSXBYOIYRQAMU-BAQGIRSFSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400318 609274806 /nfs/dbraw/zinc/27/48/06/609274806.db2.gz VQZXMMXUVMPIRV-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400318 609274807 /nfs/dbraw/zinc/27/48/07/609274807.db2.gz VQZXMMXUVMPIRV-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000823958314 609470042 /nfs/dbraw/zinc/47/00/42/609470042.db2.gz IQULYWGSELKDLG-UHFFFAOYSA-N -1 3 392.854 3.601 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000823958314 609470044 /nfs/dbraw/zinc/47/00/44/609470044.db2.gz IQULYWGSELKDLG-UHFFFAOYSA-N -1 3 392.854 3.601 20 30 GHEDHM COc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1OC(F)F ZINC000826215173 609471539 /nfs/dbraw/zinc/47/15/39/609471539.db2.gz IMBHDJJXISZEEE-UHFFFAOYSA-N -1 3 394.769 3.576 20 30 GHEDHM COc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1OC(F)F ZINC000826215173 609471542 /nfs/dbraw/zinc/47/15/42/609471542.db2.gz IMBHDJJXISZEEE-UHFFFAOYSA-N -1 3 394.769 3.576 20 30 GHEDHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186962333 834826270 /nfs/dbraw/zinc/82/62/70/834826270.db2.gz USBBSGXDSQRJGC-UHFFFAOYSA-N -1 3 384.244 3.624 20 30 GHEDHM N#CCc1ccc(OCc2cccc(NC([O-])=NO[C@@H]3CCCCO3)c2)cc1 ZINC000274893646 835778361 /nfs/dbraw/zinc/77/83/61/835778361.db2.gz JWEOCKVKTXAODU-HXUWFJFHSA-N -1 3 381.432 3.911 20 30 GHEDHM N#CCc1ccc(OCc2cccc(NC(=O)[N-]O[C@@H]3CCCCO3)c2)cc1 ZINC000274893646 835778371 /nfs/dbraw/zinc/77/83/71/835778371.db2.gz JWEOCKVKTXAODU-HXUWFJFHSA-N -1 3 381.432 3.911 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000065820691 835874604 /nfs/dbraw/zinc/87/46/04/835874604.db2.gz HABXGDGNCAUGHB-UHFFFAOYSA-N -1 3 398.378 3.878 20 30 GHEDHM N#Cc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)s1 ZINC000580175218 837906858 /nfs/dbraw/zinc/90/68/58/837906858.db2.gz QZOSAAVWXCQIKB-UHFFFAOYSA-N -1 3 399.233 3.884 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1c(F)cccc1Cl ZINC000066741982 838762694 /nfs/dbraw/zinc/76/26/94/838762694.db2.gz XDYTVZKAQLVTKA-UHFFFAOYSA-N -1 3 390.842 3.765 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000066764838 838987126 /nfs/dbraw/zinc/98/71/26/838987126.db2.gz KEDXFSNXROSQTN-IBGZPJMESA-N -1 3 377.488 3.592 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c(F)cc1Br ZINC000416482973 839299227 /nfs/dbraw/zinc/29/92/27/839299227.db2.gz DXCIDLIDABATGP-UHFFFAOYSA-N -1 3 377.279 3.505 20 30 GHEDHM Cc1cc(NC([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)no1 ZINC000535775625 844433398 /nfs/dbraw/zinc/43/33/98/844433398.db2.gz MHCBABCYHNUNQT-XACAWQSSSA-N -1 3 382.489 3.575 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000122388058 839481504 /nfs/dbraw/zinc/48/15/04/839481504.db2.gz FCOMCVFWUKQGCS-AWEZNQCLSA-N -1 3 378.215 3.652 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000019678395 839802959 /nfs/dbraw/zinc/80/29/59/839802959.db2.gz SIPJIHYHHHEODN-UHFFFAOYSA-N -1 3 397.434 3.940 20 30 GHEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160702883 840519529 /nfs/dbraw/zinc/51/95/29/840519529.db2.gz VVGQKYIWBDHFRD-UHFFFAOYSA-N -1 3 394.397 3.613 20 30 GHEDHM COc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OCCCC#N ZINC000417617776 841058108 /nfs/dbraw/zinc/05/81/08/841058108.db2.gz CMEONUCULBRNRJ-OALUTQOASA-N -1 3 380.444 3.781 20 30 GHEDHM O=C([O-])C[C@@H](CCNCc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000417659909 841096599 /nfs/dbraw/zinc/09/65/99/841096599.db2.gz PVZGRGWCUKNQFD-MRVPVSSYSA-N -1 3 377.256 3.857 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000561656657 842777808 /nfs/dbraw/zinc/77/78/08/842777808.db2.gz ZMGHLUIZYPZLOQ-HNNXBMFYSA-N -1 3 395.503 3.915 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)sc1Br ZINC000610576746 842995348 /nfs/dbraw/zinc/99/53/48/842995348.db2.gz GJFIYGHLXPYPHV-JTQLQIEISA-N -1 3 385.308 3.730 20 30 GHEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000610661048 843432492 /nfs/dbraw/zinc/43/24/92/843432492.db2.gz XVARXIVEZDDWJM-MRXNPFEDSA-N -1 3 386.249 3.634 20 30 GHEDHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000150975197 843876747 /nfs/dbraw/zinc/87/67/47/843876747.db2.gz CFKOMQFCEPBQFY-HNNXBMFYSA-N -1 3 395.503 3.598 20 30 GHEDHM COc1ccc2ccccc2c1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000512905303 843983705 /nfs/dbraw/zinc/98/37/05/843983705.db2.gz MLOPKRNUAJMHFV-UHFFFAOYSA-N -1 3 389.455 3.687 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)ccc1Cl ZINC000432963332 844756476 /nfs/dbraw/zinc/75/64/76/844756476.db2.gz UZYFSTWCZVFMGB-AWEZNQCLSA-N -1 3 392.761 3.775 20 30 GHEDHM Cc1c(C#N)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000513415828 845410331 /nfs/dbraw/zinc/41/03/31/845410331.db2.gz UQRLQJMDJZYKCK-UHFFFAOYSA-N -1 3 397.378 3.509 20 30 GHEDHM N#Cc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182947893 845716383 /nfs/dbraw/zinc/71/63/83/845716383.db2.gz HJRHXMZTRDVGJM-NRFANRHFSA-N -1 3 385.423 3.764 20 30 GHEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)s1 ZINC000421447420 846248626 /nfs/dbraw/zinc/24/86/26/846248626.db2.gz NCNKRZXIIJBHMO-UHFFFAOYSA-N -1 3 394.543 3.996 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1[O-] ZINC000731488431 861657673 /nfs/dbraw/zinc/65/76/73/861657673.db2.gz FRCXPOCCHRAYAW-UHFFFAOYSA-N -1 3 396.834 3.639 20 30 GHEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000132792145 861800031 /nfs/dbraw/zinc/80/00/31/861800031.db2.gz DYPKVNOMIRKGQI-UHFFFAOYSA-N -1 3 375.222 3.822 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000183906644 847535346 /nfs/dbraw/zinc/53/53/46/847535346.db2.gz IOVPNEARYCKSOW-FPTDNZKUSA-N -1 3 377.488 3.626 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000017910608 850391794 /nfs/dbraw/zinc/39/17/94/850391794.db2.gz UXXPQFSOGNRTST-UHFFFAOYSA-N -1 3 399.494 3.744 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCOc1ccc(Cl)cc1 ZINC000913270856 853203031 /nfs/dbraw/zinc/20/30/31/853203031.db2.gz DSMIOJFKNKZCBG-UHFFFAOYSA-N -1 3 388.851 3.874 20 30 GHEDHM C[C@@H]1C[C@H]1c1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)o1 ZINC000732763176 862480418 /nfs/dbraw/zinc/48/04/18/862480418.db2.gz AGCQMSPOJWWSTD-NDGTYSDOSA-N -1 3 382.445 3.678 20 30 GHEDHM C[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1=O ZINC000328972384 854637631 /nfs/dbraw/zinc/63/76/31/854637631.db2.gz VKKVVBVQELDOKD-GXTWGEPZSA-N -1 3 392.883 3.878 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000389547036 855433251 /nfs/dbraw/zinc/43/32/51/855433251.db2.gz ODHAGJLVOHBMEG-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccco3)sc2C)cc1 ZINC000131781536 856792741 /nfs/dbraw/zinc/79/27/41/856792741.db2.gz HOVJLHIERUUKET-AWEZNQCLSA-N -1 3 381.413 3.681 20 30 GHEDHM COC(=O)COc1c(C)cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1C ZINC000592398820 856807350 /nfs/dbraw/zinc/80/73/50/856807350.db2.gz JUEVAOXKGFRSNP-OAHLLOKOSA-N -1 3 384.457 3.679 20 30 GHEDHM C#CCOc1ccc(F)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000766072219 856815418 /nfs/dbraw/zinc/81/54/18/856815418.db2.gz OGGLVSJRFZBYBG-UHFFFAOYSA-N -1 3 393.212 3.628 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000174639241 857355481 /nfs/dbraw/zinc/35/54/81/857355481.db2.gz WRYIYYLZQUKLAQ-JPHFQCMKSA-N -1 3 397.906 3.963 20 30 GHEDHM N#Cc1csc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3F)n2)c1 ZINC000438898987 857594048 /nfs/dbraw/zinc/59/40/48/857594048.db2.gz UTGNRFICYOJWDO-UHFFFAOYSA-N -1 3 392.213 3.559 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc(NC(C)=O)c1OC ZINC000474447211 860119003 /nfs/dbraw/zinc/11/90/03/860119003.db2.gz PWCXWVBUSWOFKU-CYBMUJFWSA-N -1 3 387.461 3.732 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000124936223 860536658 /nfs/dbraw/zinc/53/66/58/860536658.db2.gz XSIIJGQQDTXDGR-UHFFFAOYSA-N -1 3 399.450 3.666 20 30 GHEDHM N#C[C@@H]([N-]C(=O)C1(C(F)(F)F)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000598824915 860602150 /nfs/dbraw/zinc/60/21/50/860602150.db2.gz UTKBNEFQHDYRHQ-GFCCVEGCSA-N -1 3 380.288 3.745 20 30 GHEDHM N#Cc1ccc(OCCCOC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730364642 861075118 /nfs/dbraw/zinc/07/51/18/861075118.db2.gz LTRSGWZSILACCU-UHFFFAOYSA-N -1 3 376.206 3.652 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000733678693 863106906 /nfs/dbraw/zinc/10/69/06/863106906.db2.gz GFZUHEYODSXGQD-KRWDZBQOSA-N -1 3 387.395 3.844 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2ccccc2c(OC)n1 ZINC000734079987 863984941 /nfs/dbraw/zinc/98/49/41/863984941.db2.gz GZEKJAREEQDRMQ-INIZCTEOSA-N -1 3 389.411 3.603 20 30 GHEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2)nc2ccccc21 ZINC000622650273 865123092 /nfs/dbraw/zinc/12/30/92/865123092.db2.gz IOSMMXKZQNZWDM-AWEZNQCLSA-N -1 3 375.819 3.902 20 30 GHEDHM CCc1cc2c(CN(CCOC)Cc3ccc(C#N)cc3)cc(=O)oc2cc1[O-] ZINC000063754502 865276624 /nfs/dbraw/zinc/27/66/24/865276624.db2.gz AKNWRBQPXNACMD-UHFFFAOYSA-N -1 3 392.455 3.581 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)CCc2ccc(Br)cc2)c1[O-] ZINC000920174364 881883533 /nfs/dbraw/zinc/88/35/33/881883533.db2.gz ZZTUHNSZNAFTFR-HMASQMOLSA-N -1 3 377.282 3.791 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNC=C3C(=O)[N-]C(=O)c4ccccc43)c2)s1 ZINC000739667892 865776549 /nfs/dbraw/zinc/77/65/49/865776549.db2.gz WSKRHUQMAFAXDD-CPNJWEJPSA-N -1 3 385.448 3.687 20 30 GHEDHM C#Cc1cccc(NC(=O)CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000740750040 865993810 /nfs/dbraw/zinc/99/38/10/865993810.db2.gz DBZCJYNPEJQYEL-UHFFFAOYSA-N -1 3 386.407 3.534 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2CC(C)C)ccc1F ZINC000740798357 866012699 /nfs/dbraw/zinc/01/26/99/866012699.db2.gz VYZVXTSFTBOIBO-QGZVFWFLSA-N -1 3 396.528 3.721 20 30 GHEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766259470 866126324 /nfs/dbraw/zinc/12/63/24/866126324.db2.gz ZTYZVDXGPSAJGZ-ZDUSSCGKSA-N -1 3 394.408 3.740 20 30 GHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000620305683 866666347 /nfs/dbraw/zinc/66/63/47/866666347.db2.gz QJPDWIGVICGSDN-RZUBCFFCSA-N -1 3 390.483 3.963 20 30 GHEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000428398382 868163897 /nfs/dbraw/zinc/16/38/97/868163897.db2.gz HSDZAKPCZFKAES-MRXNPFEDSA-N -1 3 383.395 3.648 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001192468233 870387489 /nfs/dbraw/zinc/38/74/89/870387489.db2.gz KSYWGEHPZBKEID-ZWNOBZJWSA-N -1 3 393.734 3.911 20 30 GHEDHM C=CCOC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001194311538 871614504 /nfs/dbraw/zinc/61/45/04/871614504.db2.gz QNFXBJGUMBOWDV-INIZCTEOSA-N -1 3 389.835 3.769 20 30 GHEDHM Cc1ccc(Cl)c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc12 ZINC000540613055 871716684 /nfs/dbraw/zinc/71/66/84/871716684.db2.gz VEDQEXRCTSPHBP-UHFFFAOYSA-N -1 3 394.862 3.779 20 30 GHEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)CC1 ZINC001194591542 871818753 /nfs/dbraw/zinc/81/87/53/871818753.db2.gz OORLVCVOTFVZFK-UHFFFAOYSA-N -1 3 392.290 3.622 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(OC)c(Cl)n1 ZINC000766842470 871912388 /nfs/dbraw/zinc/91/23/88/871912388.db2.gz XTCOYIWPFXFIHT-CQSZACIVSA-N -1 3 385.851 3.830 20 30 GHEDHM COc1cc(Br)c(OC)c(C(=O)[N-]c2ccsc2C#N)c1OC ZINC001195159750 872223385 /nfs/dbraw/zinc/22/33/85/872223385.db2.gz YJIIBSZPIOKJTQ-UHFFFAOYSA-N -1 3 397.250 3.660 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1[O-] ZINC000767336678 872407953 /nfs/dbraw/zinc/40/79/53/872407953.db2.gz GRBOIRXUIZNVMR-IMQYADFFSA-N -1 3 393.512 3.936 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2cccc(OC)c2)c(C)c1[O-] ZINC001196054356 872830965 /nfs/dbraw/zinc/83/09/65/872830965.db2.gz LYQDMLWGXCMKOS-UHFFFAOYSA-N -1 3 385.445 3.567 20 30 GHEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCCC(C)(C)C#N)ccc1F ZINC000768563397 873390714 /nfs/dbraw/zinc/39/07/14/873390714.db2.gz BILRZMFUPCVSCI-UHFFFAOYSA-N -1 3 398.500 3.779 20 30 GHEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1c(Cl)ccnc1C(F)(F)F ZINC001197223416 873659378 /nfs/dbraw/zinc/65/93/78/873659378.db2.gz VGDYIRMPWYQYTR-UHFFFAOYSA-N -1 3 377.713 3.821 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1Br ZINC001197310725 873699354 /nfs/dbraw/zinc/69/93/54/873699354.db2.gz IRZXTWOMWADKHP-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#CC(=C([O-])c1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2s1 ZINC000770098213 874457216 /nfs/dbraw/zinc/45/72/16/874457216.db2.gz UBZDFXACUNFKEG-AWEZNQCLSA-N -1 3 381.432 3.762 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000130171358 874968505 /nfs/dbraw/zinc/96/85/05/874968505.db2.gz FCCLWWFWXCUNHH-INIZCTEOSA-N -1 3 396.809 3.685 20 30 GHEDHM O=C(Nc1cccc(Sc2ccc(Cl)cc2)c1)N[C@H]1CCCN([O-])C1=O ZINC001201577689 875761342 /nfs/dbraw/zinc/76/13/42/875761342.db2.gz FGAOCDBJENUTCW-INIZCTEOSA-N -1 3 391.880 3.993 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786030407 876416720 /nfs/dbraw/zinc/41/67/20/876416720.db2.gz FBEHGUWWWAGNJL-GFCCVEGCSA-N -1 3 383.429 3.951 20 30 GHEDHM N#CCCN(C(=O)COC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC000786135358 876500897 /nfs/dbraw/zinc/50/08/97/876500897.db2.gz AXZNCDVTJBJSOV-UHFFFAOYSA-N -1 3 380.425 3.711 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2c(cccc2C([O-])=C(C#N)c2ccccn2)C1 ZINC000850755094 877142127 /nfs/dbraw/zinc/14/21/27/877142127.db2.gz AWLGMRJRZILUOK-GOSISDBHSA-N -1 3 377.444 3.865 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1OCC(F)(F)F ZINC000610123993 877436551 /nfs/dbraw/zinc/43/65/51/877436551.db2.gz NPSPCRVKIKLGPN-UHFFFAOYSA-N -1 3 384.379 3.917 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Cl)nc1Cl ZINC000788064851 877808081 /nfs/dbraw/zinc/80/80/81/877808081.db2.gz HWCZFKPUOGMIKV-UHFFFAOYSA-N -1 3 380.231 3.654 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000617042001 879361524 /nfs/dbraw/zinc/36/15/24/879361524.db2.gz LYDJTHNCNHULHY-KBXCAEBGSA-N -1 3 383.448 3.806 20 30 GHEDHM C[C@@]1(C2CC2)NC(=O)N(c2ccc(CN=Cc3cc(Cl)ccc3[O-])cc2)C1=O ZINC000790575571 879863610 /nfs/dbraw/zinc/86/36/10/879863610.db2.gz UHDVLSPRYNXPAB-IIHIVLJSSA-N -1 3 397.862 3.890 20 30 GHEDHM N#Cc1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cnc1C(F)(F)F ZINC000494128174 879955596 /nfs/dbraw/zinc/95/55/96/879955596.db2.gz SXECRZUXKUYUOC-ARJAWSKDSA-N -1 3 391.334 3.839 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000859477561 883839638 /nfs/dbraw/zinc/83/96/38/883839638.db2.gz FDHLNGPEDPOYFU-KRWDZBQOSA-N -1 3 390.480 3.508 20 30 GHEDHM Cc1ccc2sc(COC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc2c1 ZINC000859477374 883839698 /nfs/dbraw/zinc/83/96/98/883839698.db2.gz AXZFSSLXWNFJFC-UHFFFAOYSA-N -1 3 381.457 3.870 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2cccc(C)c2C)ccc1F ZINC000914529004 884041636 /nfs/dbraw/zinc/04/16/36/884041636.db2.gz LMGBQGVCYCIXNJ-UHFFFAOYSA-N -1 3 390.480 3.574 20 30 GHEDHM Cc1nc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c2ccccn12 ZINC000914599497 884305976 /nfs/dbraw/zinc/30/59/76/884305976.db2.gz IAKBZBXSUJKIDU-UHFFFAOYSA-N -1 3 380.502 3.697 20 30 GHEDHM O=C([N-]OCC(F)(F)F)c1c(F)ccc(C(F)(F)F)c1Br ZINC000860201911 884413738 /nfs/dbraw/zinc/41/37/38/884413738.db2.gz PLKLXRGIRGPNJL-UHFFFAOYSA-N -1 3 384.045 3.831 20 30 GHEDHM C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000116854704 884673196 /nfs/dbraw/zinc/67/31/96/884673196.db2.gz SPMKTHMHTIPNNN-CQSZACIVSA-N -1 3 376.453 3.629 20 30 GHEDHM N#CC(=C([O-])c1ccc(SC(F)(F)F)nc1)c1nnc2n1CCCCC2 ZINC000860483690 884726579 /nfs/dbraw/zinc/72/65/79/884726579.db2.gz SOLPZXFHOKQSFQ-LLVKDONJSA-N -1 3 381.383 3.501 20 30 GHEDHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccccc3CC#N)nc(=O)c2c1C ZINC000777167507 885228182 /nfs/dbraw/zinc/22/81/82/885228182.db2.gz OBUZVHOIHBJWBB-LBPRGKRZSA-N -1 3 381.457 3.927 20 30 GHEDHM CCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000498880743 886015485 /nfs/dbraw/zinc/01/54/85/886015485.db2.gz ONJLFEKSTLAFNH-LBPRGKRZSA-N -1 3 381.382 3.901 20 30 GHEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459284922 887055955 /nfs/dbraw/zinc/05/59/55/887055955.db2.gz UVJLNCDJKRGDNL-KRWDZBQOSA-N -1 3 386.293 3.537 20 30 GHEDHM COc1cc(C(=O)/C=C/c2ccc(C(=O)N3CCCC3)cc2)c(OC)cc1[O-] ZINC000865220778 888253234 /nfs/dbraw/zinc/25/32/34/888253234.db2.gz PWBFWUVCTGLOCQ-JXMROGBWSA-N -1 3 381.428 3.542 20 30 GHEDHM N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1=O ZINC000811395027 889536556 /nfs/dbraw/zinc/53/65/56/889536556.db2.gz RHEYIVLXFWRKGK-LLVKDONJSA-N -1 3 391.861 3.778 20 30 GHEDHM N#Cc1nc(Br)cnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523150 891849764 /nfs/dbraw/zinc/84/97/64/891849764.db2.gz KPBVRECXUJVDDB-UHFFFAOYSA-N -1 3 390.628 3.630 20 30 GHEDHM CCCOc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000917538665 892135908 /nfs/dbraw/zinc/13/59/08/892135908.db2.gz PWFDCDQYTXHKIJ-SFHVURJKSA-N -1 3 396.472 3.750 20 30 GHEDHM O=c1c2cc(Br)ccc2ncn1N=Cc1ccc2ccccc2c1[O-] ZINC000814787412 893196934 /nfs/dbraw/zinc/19/69/34/893196934.db2.gz MQCLVNUWXGSHIY-UHFFFAOYSA-N -1 3 394.228 3.900 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1cccc(Cl)c1C#N ZINC000826176203 895801542 /nfs/dbraw/zinc/80/15/42/895801542.db2.gz GJMPYSGYUSKWTA-UHFFFAOYSA-N -1 3 387.852 3.571 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1cccc(Cl)c1C#N ZINC000826176203 895801548 /nfs/dbraw/zinc/80/15/48/895801548.db2.gz GJMPYSGYUSKWTA-UHFFFAOYSA-N -1 3 387.852 3.571 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1OC(F)F ZINC000826215243 896356538 /nfs/dbraw/zinc/35/65/38/896356538.db2.gz JZBZUGBJECOBNH-SOFGYWHQSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1OC(F)F ZINC000826215243 896356554 /nfs/dbraw/zinc/35/65/54/896356554.db2.gz JZBZUGBJECOBNH-SOFGYWHQSA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000043755074 898903005 /nfs/dbraw/zinc/90/30/05/898903005.db2.gz QVOMPUYWMVQYEH-LBPRGKRZSA-N -1 3 391.393 3.692 20 30 GHEDHM C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823898967 899290701 /nfs/dbraw/zinc/29/07/01/899290701.db2.gz GRPOKAYMGQZLBW-JKSUJKDBSA-N -1 3 391.475 3.692 20 30 GHEDHM C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823898967 899290718 /nfs/dbraw/zinc/29/07/18/899290718.db2.gz GRPOKAYMGQZLBW-JKSUJKDBSA-N -1 3 391.475 3.692 20 30 GHEDHM C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823903721 899293640 /nfs/dbraw/zinc/29/36/40/899293640.db2.gz IPKURTJTJUYCIA-MRXNPFEDSA-N -1 3 388.475 3.978 20 30 GHEDHM C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823903721 899293656 /nfs/dbraw/zinc/29/36/56/899293656.db2.gz IPKURTJTJUYCIA-MRXNPFEDSA-N -1 3 388.475 3.978 20 30 GHEDHM C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823888024 899306283 /nfs/dbraw/zinc/30/62/83/899306283.db2.gz DBWYHDKYXWSPAQ-CABCVRRESA-N -1 3 376.464 3.859 20 30 GHEDHM C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823888024 899306299 /nfs/dbraw/zinc/30/62/99/899306299.db2.gz DBWYHDKYXWSPAQ-CABCVRRESA-N -1 3 376.464 3.859 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823894530 899308922 /nfs/dbraw/zinc/30/89/22/899308922.db2.gz SIIXPXOYFNWPSX-CQSZACIVSA-N -1 3 381.436 3.513 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823894530 899308935 /nfs/dbraw/zinc/30/89/35/899308935.db2.gz SIIXPXOYFNWPSX-CQSZACIVSA-N -1 3 381.436 3.513 20 30 GHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1cscn1 ZINC000826401065 899757283 /nfs/dbraw/zinc/75/72/83/899757283.db2.gz OTDHOVXFXZMORC-FPLPWBNLSA-N -1 3 389.440 3.798 20 30 GHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1cscn1 ZINC000826401065 899757289 /nfs/dbraw/zinc/75/72/89/899757289.db2.gz OTDHOVXFXZMORC-FPLPWBNLSA-N -1 3 389.440 3.798 20 30 GHEDHM CCCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC ZINC000825338542 900102722 /nfs/dbraw/zinc/10/27/22/900102722.db2.gz CAZQDTCTFOLISV-XBXARRHUSA-N -1 3 382.395 3.699 20 30 GHEDHM CCCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC ZINC000825338542 900102734 /nfs/dbraw/zinc/10/27/34/900102734.db2.gz CAZQDTCTFOLISV-XBXARRHUSA-N -1 3 382.395 3.699 20 30 GHEDHM C#CC[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000843998942 900435171 /nfs/dbraw/zinc/43/51/71/900435171.db2.gz JYXGLINEGHMRIA-XMSQKQJNSA-N -1 3 390.483 3.515 20 30 GHEDHM C/C(=C\C(=O)Nc1ncc([O-])cc1C)C(=O)c1ccc(Br)cc1 ZINC001143880975 900676426 /nfs/dbraw/zinc/67/64/26/900676426.db2.gz OFJGAYMAKZSZKW-CSKARUKUSA-N -1 3 375.222 3.626 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nnc(-c2ccsc2)o1 ZINC000845840596 902456312 /nfs/dbraw/zinc/45/63/12/902456312.db2.gz MUBMNONOWSYYIK-INIZCTEOSA-N -1 3 391.452 3.740 20 30 GHEDHM C=CCCCCCCCCC(=O)NCC[N-]C(=O)C(F)(F)Br ZINC001144798788 902937220 /nfs/dbraw/zinc/93/72/20/902937220.db2.gz GHQCEAJWMPUPJU-UHFFFAOYSA-N -1 3 383.277 3.513 20 30 GHEDHM C=C[C@H](C)O[N-]C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000846544581 903038739 /nfs/dbraw/zinc/03/87/39/903038739.db2.gz HSOCXVKTPXBILZ-NSHDSACASA-N -1 3 379.254 3.967 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(N(CC)CC)cc2)c(C)c1[O-] ZINC001148277722 904034860 /nfs/dbraw/zinc/03/48/60/904034860.db2.gz SVUFERMYMUHZKL-UHFFFAOYSA-N -1 3 395.459 3.848 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3c2CCCC3)c(C)c1[O-] ZINC001148635750 904149281 /nfs/dbraw/zinc/14/92/81/904149281.db2.gz CQOMGDIFPQMKSF-UHFFFAOYSA-N -1 3 378.428 3.880 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCCOC)c2)cc1 ZINC000777303702 905725669 /nfs/dbraw/zinc/72/56/69/905725669.db2.gz FTXFYCOGWLNSDB-BEFAXECRSA-N -1 3 395.459 3.581 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000193398103 908330961 /nfs/dbraw/zinc/33/09/61/908330961.db2.gz UKWAKXPFQAIKKL-CYBMUJFWSA-N -1 3 397.740 3.637 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C(C)(C)C)n2)cc1Cl ZINC000193479452 908424962 /nfs/dbraw/zinc/42/49/62/908424962.db2.gz RWOKEUIIQGEQOJ-CYBMUJFWSA-N -1 3 388.855 3.570 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-]C2(C#N)CCCCC2)CC1 ZINC000773892264 910477102 /nfs/dbraw/zinc/47/71/02/910477102.db2.gz BCPFHSKDKZDTKG-UHFFFAOYSA-N -1 3 385.455 3.611 20 30 GHEDHM C=CCOC[C@@H](NCc1cn(-c2ccccc2Cl)nc1C(C)(C)C)C(=O)[O-] ZINC000901814859 921587985 /nfs/dbraw/zinc/58/79/85/921587985.db2.gz WSVWMLRJVGXUEV-MRXNPFEDSA-N -1 3 391.899 3.569 20 30 GHEDHM CSCc1cccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000273834127 911043563 /nfs/dbraw/zinc/04/35/63/911043563.db2.gz KAEQIAGVQZUPCS-UHFFFAOYSA-N -1 3 380.473 3.974 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c(C)c1[O-] ZINC001182289820 911425298 /nfs/dbraw/zinc/42/52/98/911425298.db2.gz WZJCKQQKJBRONL-HUUCEWRRSA-N -1 3 382.391 3.630 20 30 GHEDHM O=C1[C@@H](NCc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)CCCN1[O-] ZINC001182674663 911938921 /nfs/dbraw/zinc/93/89/21/911938921.db2.gz FGEHHDJIXXLIPP-INIZCTEOSA-N -1 3 382.794 3.880 20 30 GHEDHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1 ZINC001187457940 915267239 /nfs/dbraw/zinc/26/72/39/915267239.db2.gz OTJHQTIMPXADLZ-UHFFFAOYSA-N -1 3 394.399 3.589 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1C(F)(F)F ZINC001189686143 916806504 /nfs/dbraw/zinc/80/65/04/916806504.db2.gz BGGGHZXZTXFIRH-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(C(F)(F)F)cn2)C2CC2)c1 ZINC001190677714 917506673 /nfs/dbraw/zinc/50/66/73/917506673.db2.gz SPQJTZLQQJAXKJ-INIZCTEOSA-N -1 3 399.369 3.541 20 30 GHEDHM C=CCC1(S(=O)(=O)[N-]c2cnc(Cl)cc2NC(=O)OC(C)(C)C)CC1 ZINC001190776449 917557814 /nfs/dbraw/zinc/55/78/14/917557814.db2.gz HUAYTYITUJSKKI-UHFFFAOYSA-N -1 3 387.889 3.932 20 30 GHEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccc(Oc2ccccc2)n1 ZINC001191134981 917804806 /nfs/dbraw/zinc/80/48/06/917804806.db2.gz AOVHIJFJGFKYJJ-UHFFFAOYSA-N -1 3 379.397 3.846 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc2ccccc2nc1Cl ZINC000007674115 919741017 /nfs/dbraw/zinc/74/10/17/919741017.db2.gz RTCGYFAOWLRDQJ-UHFFFAOYSA-N -1 3 395.846 3.741 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000371597796 924705609 /nfs/dbraw/zinc/70/56/09/924705609.db2.gz RUVHOUHTYLEVJF-UHFFFAOYSA-N -1 3 395.850 3.686 20 30 GHEDHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000373872789 926513804 /nfs/dbraw/zinc/51/38/04/926513804.db2.gz IOGWVCWFNYUDQC-JOCHJYFZSA-N -1 3 399.441 3.753 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2nccn12 ZINC000780306124 927843622 /nfs/dbraw/zinc/84/36/22/927843622.db2.gz RDAIRSIYDMPMEK-SNVBAGLBSA-N -1 3 393.255 3.972 20 30 GHEDHM COc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000412790714 927847594 /nfs/dbraw/zinc/84/75/94/927847594.db2.gz ZNDYGQALWVHYBM-UHFFFAOYSA-N -1 3 387.867 3.529 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1N(C)C ZINC000751553559 928246979 /nfs/dbraw/zinc/24/69/79/928246979.db2.gz MPXVGJZGEMLJNL-UHFFFAOYSA-N -1 3 383.395 3.752 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(OC(F)F)cc2)no1 ZINC000546233465 929978596 /nfs/dbraw/zinc/97/85/96/929978596.db2.gz NYROQWQCXHJHPH-UHFFFAOYSA-N -1 3 386.358 3.712 20 30 GHEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000557608860 931571626 /nfs/dbraw/zinc/57/16/26/931571626.db2.gz INPJSPOBRFETOV-UHFFFAOYSA-N -1 3 395.507 3.591 20 30 GHEDHM N#CC(=C([O-])c1ccc(CN2CCSCC2)cc1)c1nc2ccccc2o1 ZINC000558184253 931876762 /nfs/dbraw/zinc/87/67/62/931876762.db2.gz VIBKPJQTKIFELF-KRWDZBQOSA-N -1 3 377.469 3.867 20 30 GHEDHM C[C@@H]1[C@H](/N=C\c2cc(Br)ccc2[O-])CC(=O)N1Cc1ccccc1 ZINC000798343630 932606488 /nfs/dbraw/zinc/60/64/88/932606488.db2.gz MPXWVXYDAABGCD-IQLVASAKSA-N -1 3 387.277 3.763 20 30 GHEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000928968236 933181568 /nfs/dbraw/zinc/18/15/68/933181568.db2.gz BQHNOFWEGNLLCR-GCULGPDHSA-N -1 3 386.279 3.798 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccc(F)cc1C ZINC001121709622 934744543 /nfs/dbraw/zinc/74/45/43/934744543.db2.gz VFKYTODMMHRELO-SFHVURJKSA-N -1 3 394.454 3.724 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCOC2)c1[O-] ZINC001123152301 935092764 /nfs/dbraw/zinc/09/27/64/935092764.db2.gz JRQARHZGLOOMAA-DLBZAZTESA-N -1 3 395.507 3.544 20 30 GHEDHM CCOc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1OCC(=O)[O-] ZINC000830027104 935891814 /nfs/dbraw/zinc/89/18/14/935891814.db2.gz LZRCZMZECGKAMI-ZDUSSCGKSA-N -1 3 388.445 3.619 20 30 GHEDHM C#C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C(C)C ZINC001573281261 946674933 /nfs/dbraw/zinc/67/49/33/946674933.db2.gz WVBSHRCHRLPRCP-QGZVFWFLSA-N -1 3 395.850 3.700 20 30 GHEDHM C#C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C(C)C ZINC001573281261 946674939 /nfs/dbraw/zinc/67/49/39/946674939.db2.gz WVBSHRCHRLPRCP-QGZVFWFLSA-N -1 3 395.850 3.700 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@@H](C)CC2 ZINC001573294292 946982821 /nfs/dbraw/zinc/98/28/21/946982821.db2.gz AMKCZPLPMXUZQW-YWDSYVAPSA-N -1 3 387.509 3.534 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@@H](C)CC2 ZINC001573294292 946982830 /nfs/dbraw/zinc/98/28/30/946982830.db2.gz AMKCZPLPMXUZQW-YWDSYVAPSA-N -1 3 387.509 3.534 20 30 GHEDHM C=C1CCN(C(=O)Nc2cnc(Oc3ccccc3-c3nnn[n-]3)cc2C)CC1 ZINC001573295996 947033492 /nfs/dbraw/zinc/03/34/92/947033492.db2.gz JAZPGNAHLOWSRP-UHFFFAOYSA-N -1 3 391.435 3.546 20 30 GHEDHM C=C1CCN(C(=O)Nc2cnc(Oc3ccccc3-c3nn[n-]n3)cc2C)CC1 ZINC001573295996 947033499 /nfs/dbraw/zinc/03/34/99/947033499.db2.gz JAZPGNAHLOWSRP-UHFFFAOYSA-N -1 3 391.435 3.546 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001573330043 947431319 /nfs/dbraw/zinc/43/13/19/947431319.db2.gz SMQQARDRRQJGSG-WCQYABFASA-N -1 3 392.410 3.725 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001573330043 947431324 /nfs/dbraw/zinc/43/13/24/947431324.db2.gz SMQQARDRRQJGSG-WCQYABFASA-N -1 3 392.410 3.725 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)c1ccccc1 ZINC001573342255 947537788 /nfs/dbraw/zinc/53/77/88/947537788.db2.gz VWYFCTCFOBUSGW-IBGZPJMESA-N -1 3 376.464 3.716 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)c1ccccc1 ZINC001573342255 947537810 /nfs/dbraw/zinc/53/78/10/947537810.db2.gz VWYFCTCFOBUSGW-IBGZPJMESA-N -1 3 376.464 3.716 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)C=Cc3ccc(F)cc3)c2)n1 ZINC001625885966 1014315186 /nfs/dbraw/zinc/31/51/86/1014315186.db2.gz YVKKSMHUSJFHEO-DHZHZOJOSA-N -1 3 391.402 3.772 20 30 GHEDHM C#CC[C@H](NCc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)[O-] ZINC001588422241 983445125 /nfs/dbraw/zinc/44/51/25/983445125.db2.gz IGCLMBIAEHQVCG-FQEVSTJZSA-N -1 3 393.418 3.678 20 30 GHEDHM C[C@@H](C#N)Oc1ccc(CN2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001589336126 986218923 /nfs/dbraw/zinc/21/89/23/986218923.db2.gz XFDGXAHOEHFVIT-INIZCTEOSA-N -1 3 379.460 3.752 20 30 GHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC001593190935 994129880 /nfs/dbraw/zinc/12/98/80/994129880.db2.gz ZCRVHIVQACKCLX-VFNWGFHPSA-N -1 3 377.444 3.552 20 30 GHEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)ccc1C#N ZINC001599406311 997309529 /nfs/dbraw/zinc/30/95/29/997309529.db2.gz ZORDQYNEHQJGGW-KRWDZBQOSA-N -1 3 389.249 3.587 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H](C)c3cccs3)no2)ccc1F ZINC000545753969 1016339627 /nfs/dbraw/zinc/33/96/27/1016339627.db2.gz HIBQFEXRPXNMHC-NSHDSACASA-N -1 3 393.465 3.553 20 30 GHEDHM N#Cc1ccc2[n-]c(C(=O)NCC(=CF)CCc3ccc(F)cc3)cc(=O)c2c1 ZINC001154559560 1032181434 /nfs/dbraw/zinc/18/14/34/1032181434.db2.gz OROMOCPFXVWQGT-LFIBNONCSA-N -1 3 393.393 3.755 20 30 GHEDHM C=CCCC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)OC ZINC001155476421 1032556641 /nfs/dbraw/zinc/55/66/41/1032556641.db2.gz ZTBYAZLAOWTADA-HXUWFJFHSA-N -1 3 381.472 3.805 20 30 GHEDHM [O-]N=C(Nc1cc(-c2ccccn2)ncn1)c1ccc(OC(F)(F)F)cc1 ZINC001155914415 1032790719 /nfs/dbraw/zinc/79/07/19/1032790719.db2.gz OVYDQTWDDWBTFA-UHFFFAOYSA-N -1 3 375.310 3.685 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(-c2cnn(C)c2)o1 ZINC000835063507 1021842694 /nfs/dbraw/zinc/84/26/94/1021842694.db2.gz LTIVWFLKAHNFIL-KRWDZBQOSA-N -1 3 390.443 3.766 20 30 GHEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccccc1 ZINC000756975915 1023894848 /nfs/dbraw/zinc/89/48/48/1023894848.db2.gz PXXRYCJXJDOWBT-OAHLLOKOSA-N -1 3 378.837 3.600 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2cc(C)ccc2OC)c(C)c1[O-] ZINC001202870233 1025484321 /nfs/dbraw/zinc/48/43/21/1025484321.db2.gz UOXSMESLXBWYTI-UHFFFAOYSA-N -1 3 383.404 3.710 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2ccc(OCC)cc2)c(C)c1[O-] ZINC001202906616 1026033215 /nfs/dbraw/zinc/03/32/15/1026033215.db2.gz FRMLWFIRDQPUDP-UHFFFAOYSA-N -1 3 383.404 3.792 20 30 GHEDHM COC(=O)c1ccc([N+](=O)[O-])c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001163770624 1026311713 /nfs/dbraw/zinc/31/17/13/1026311713.db2.gz OTRQSULZAWOUQY-UHFFFAOYSA-N -1 3 399.281 3.528 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)n1 ZINC001166114986 1026921773 /nfs/dbraw/zinc/92/17/73/1026921773.db2.gz VGLXMWQVROMPFY-JCOAKIOGSA-N -1 3 396.944 3.692 20 30 GHEDHM N#Cc1ccc(-c2ccc(Cl)s2)n(Cc2cc(=O)[n-]c(C3CC3)n2)c1=O ZINC001166414151 1026996349 /nfs/dbraw/zinc/99/63/49/1026996349.db2.gz VGPJKUVFBCJUNX-UHFFFAOYSA-N -1 3 384.848 3.523 20 30 GHEDHM O=S(=O)(c1cccc(N=Cc2cc(Cl)ccc2[O-])c1)C1CCOCC1 ZINC000840705913 1027746477 /nfs/dbraw/zinc/74/64/77/1027746477.db2.gz IFCVXRBFCPQOKZ-UHFFFAOYSA-N -1 3 379.865 3.749 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)nc3ccccc32)c(C)c1[O-] ZINC001150673596 1030606050 /nfs/dbraw/zinc/60/60/50/1030606050.db2.gz HTTWBPVAHVTGJN-UHFFFAOYSA-N -1 3 389.411 3.858 20 30 GHEDHM C#C[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)c1ccc(Cl)cc1F ZINC001157507922 1033625531 /nfs/dbraw/zinc/62/55/31/1033625531.db2.gz KTHPGVXATXRFCS-MRXNPFEDSA-N -1 3 390.748 3.703 20 30 GHEDHM N#CC[C@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1ccccc1 ZINC001230188829 1033936724 /nfs/dbraw/zinc/93/67/24/1033936724.db2.gz NTTDEKUKZJRLCK-NRFANRHFSA-N -1 3 386.455 3.774 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2C[C@H](C)OC[C@@H]2c2ccccc2)n1 ZINC001158286792 1034005635 /nfs/dbraw/zinc/00/56/35/1034005635.db2.gz SSNNTZWILCCFQW-SUHJFQQSSA-N -1 3 378.885 3.626 20 30 GHEDHM CCN1CC[C@@H](Oc2c(OC)c(OC)cc([O-])c2C(=O)/C=C/c2ccccc2)C1 ZINC001230439546 1034057526 /nfs/dbraw/zinc/05/75/26/1034057526.db2.gz FDWDJNQRKJWGNR-SXSDINLZSA-N -1 3 397.471 3.779 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC001159642167 1034701003 /nfs/dbraw/zinc/70/10/03/1034701003.db2.gz UMAKOSXVGQLOKO-CYBMUJFWSA-N -1 3 395.242 3.896 20 30 GHEDHM COc1ncccc1[C@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])C1CC1 ZINC001161782540 1035301020 /nfs/dbraw/zinc/30/10/20/1035301020.db2.gz JBDUUELBWLPLBS-OZOTYFBYSA-N -1 3 379.873 3.627 20 30 GHEDHM O=C(CCCc1nc2ccccc2c(=O)[nH]1)N([O-])CCCCc1ccccc1 ZINC001161807391 1035306539 /nfs/dbraw/zinc/30/65/39/1035306539.db2.gz IAIJHIVYLHVERG-UHFFFAOYSA-N -1 3 379.460 3.899 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001233800482 1039625359 /nfs/dbraw/zinc/62/53/59/1039625359.db2.gz RDVAHWBBQWVOIG-HPVJRVATSA-N -1 3 376.453 3.528 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 ZINC001233802877 1039626852 /nfs/dbraw/zinc/62/68/52/1039626852.db2.gz JKKNPOJMEFWLBE-UWPAOYMWSA-N -1 3 386.395 3.527 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1OC[C@H]1CN(Cc2ccccc2)CC(C)(C)O1 ZINC001233803397 1039628959 /nfs/dbraw/zinc/62/89/59/1039628959.db2.gz OKQAXJLKHYMACV-AOOMUMSASA-N -1 3 384.476 3.562 20 30 GHEDHM C#C[C@H](CC)Oc1c(OC)cc(=O)c2c([O-])cc(-c3ccccc3OC)oc1-2 ZINC001234735570 1040261874 /nfs/dbraw/zinc/26/18/74/1040261874.db2.gz ZHIOHILAJGIIGK-CYBMUJFWSA-N -1 3 380.396 3.973 20 30 GHEDHM CCOc1ncc(Cl)cc1-c1nc(/C=N/[O-])ccc1NC(=O)C(C)(C)C ZINC001236495397 1041739239 /nfs/dbraw/zinc/73/92/39/1041739239.db2.gz MMQFOBJRPDTFJZ-UFFVCSGVSA-N -1 3 376.844 3.988 20 30 GHEDHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)[C@H](O)c1c(F)cccc1F ZINC001294811557 1044806502 /nfs/dbraw/zinc/80/65/02/1044806502.db2.gz OSMCULSRCHBXGY-RDJZCZTQSA-N -1 3 380.341 3.557 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(F)c1 ZINC001259135867 1044977283 /nfs/dbraw/zinc/97/72/83/1044977283.db2.gz FUVNRLKMGWGOIN-UHFFFAOYSA-N -1 3 383.828 3.931 20 30 GHEDHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cc(F)c(C#N)cc3F)ccc2O1 ZINC001260717583 1045622909 /nfs/dbraw/zinc/62/29/09/1045622909.db2.gz JJADNSFESJVGHY-UHFFFAOYSA-N -1 3 378.400 3.741 20 30 GHEDHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Br ZINC001260773072 1045652037 /nfs/dbraw/zinc/65/20/37/1045652037.db2.gz OHQDQZYKKFHJTP-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM C#C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccccc1 ZINC001299869135 1046073366 /nfs/dbraw/zinc/07/33/66/1046073366.db2.gz GNSNDZKSXQKEIB-PKTZIBPZSA-N -1 3 398.462 3.744 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](c2ccccc2)CC1 ZINC001262987982 1046472493 /nfs/dbraw/zinc/47/24/93/1046472493.db2.gz JUTYVCHYWPOAON-SFHVURJKSA-N -1 3 390.491 3.709 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001303801197 1047514900 /nfs/dbraw/zinc/51/49/00/1047514900.db2.gz LXUOCVBYMRKYEI-UHFFFAOYSA-N -1 3 395.331 3.674 20 30 GHEDHM CC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1[O-] ZINC001306263316 1048525812 /nfs/dbraw/zinc/52/58/12/1048525812.db2.gz KPUJLOPXLMAWCC-UHFFFAOYSA-N -1 3 377.425 3.766 20 30 GHEDHM N#CCCCC[N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001309168020 1050422498 /nfs/dbraw/zinc/42/24/98/1050422498.db2.gz TVUNYNQOUVNNPE-UHFFFAOYSA-N -1 3 389.424 3.801 20 30 GHEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc2cc(Cl)ccc2o1 ZINC001309756977 1050957641 /nfs/dbraw/zinc/95/76/41/1050957641.db2.gz DUWUZJXVHGAXDI-UHFFFAOYSA-N -1 3 381.866 3.628 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCO2)c1[O-] ZINC001343340138 1053713506 /nfs/dbraw/zinc/71/35/06/1053713506.db2.gz GJWQDFMSGLPBCZ-SJLPKXTDSA-N -1 3 395.507 3.544 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c(C)cc1Br ZINC001318556859 1054717411 /nfs/dbraw/zinc/71/74/11/1054717411.db2.gz XXMYPELKHRONGI-UHFFFAOYSA-N -1 3 395.278 3.769 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000848137228 1056742059 /nfs/dbraw/zinc/74/20/59/1056742059.db2.gz BIPXIULDLONGFY-SECBINFHSA-N -1 3 392.786 3.684 20 30 GHEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnc(-c2ccccc2)o1 ZINC001322677361 1056794965 /nfs/dbraw/zinc/79/49/65/1056794965.db2.gz ULZVXZYPFXFRIW-MRXNPFEDSA-N -1 3 396.472 3.563 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(OCC4CC4)CC3)n2C)c1[O-] ZINC001338524403 1058614442 /nfs/dbraw/zinc/61/44/42/1058614442.db2.gz WXGIGTRKPBTYIU-UHFFFAOYSA-N -1 3 382.508 3.702 20 30 GHEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C#N)s1 ZINC001339941704 1059571481 /nfs/dbraw/zinc/57/14/81/1059571481.db2.gz KLLAOQXOEGTNTO-UHFFFAOYSA-N -1 3 382.470 3.530 20 30 GHEDHM COC(=O)[C@H](CC(F)(F)F)[N-]C(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001447415374 1059961717 /nfs/dbraw/zinc/96/17/17/1059961717.db2.gz WGNGJUYEIVCDSH-RUYJGKKWSA-N -1 3 387.251 3.626 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC001342084822 1061046844 /nfs/dbraw/zinc/04/68/44/1061046844.db2.gz FBTKGVFAHHMWKW-MRXNPFEDSA-N -1 3 399.426 3.704 20 30 GHEDHM O=C(C1CN(C(=O)C2CCCCC2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457993130 1063494583 /nfs/dbraw/zinc/49/45/83/1063494583.db2.gz HBMMEFRKBZRZOQ-UHFFFAOYSA-N -1 3 385.291 3.750 20 30 GHEDHM N#CCCN(C(=O)CCC(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001458004915 1063501873 /nfs/dbraw/zinc/50/18/73/1063501873.db2.gz ZVMHCDDQFNDASF-UHFFFAOYSA-N -1 3 385.851 3.785 20 30 GHEDHM CC(C)C[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC001458004790 1063501906 /nfs/dbraw/zinc/50/19/06/1063501906.db2.gz YXLNEPNIKULRQK-FQEVSTJZSA-N -1 3 394.471 3.720 20 30 GHEDHM CC(C)(C)OC(=O)N(CC(=O)N([O-])CCCCc1ccccc1)CC1CC1 ZINC001458008804 1063503290 /nfs/dbraw/zinc/50/32/90/1063503290.db2.gz PIOVSKOCIHUIFN-UHFFFAOYSA-N -1 3 376.497 3.874 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c([O-])c1 ZINC001458027870 1063512968 /nfs/dbraw/zinc/51/29/68/1063512968.db2.gz QEOQZNSDHYCFCG-NRFANRHFSA-N -1 3 380.444 3.656 20 30 GHEDHM N#Cc1ccc(Cn2cc([N-]c3ncc(Br)cc3[N+](=O)[O-])cn2)cc1 ZINC001458548705 1063884962 /nfs/dbraw/zinc/88/49/62/1063884962.db2.gz ZTYPVVPGSOWEOX-UHFFFAOYSA-N -1 3 399.208 3.612 20 30 GHEDHM C=CCn1cc(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)nn1 ZINC001350674144 1064161198 /nfs/dbraw/zinc/16/11/98/1064161198.db2.gz PYNACPKIVWUTMJ-UHFFFAOYSA-N -1 3 392.897 3.514 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001352063169 1064802799 /nfs/dbraw/zinc/80/27/99/1064802799.db2.gz PGUFHHJIHMCBLF-DNVCBOLYSA-N -1 3 390.491 3.708 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(OCC)CC1 ZINC001352124003 1064859375 /nfs/dbraw/zinc/85/93/75/1064859375.db2.gz UGNOYCDDSHMDIU-UHFFFAOYSA-N -1 3 390.915 3.614 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2scc3c2OCCO3)cc1 ZINC000847626286 1065783070 /nfs/dbraw/zinc/78/30/70/1065783070.db2.gz INPUOEBJDNLRJY-WFASDCNBSA-N -1 3 384.457 3.994 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001200276956 1065791765 /nfs/dbraw/zinc/79/17/65/1065791765.db2.gz PJORNHJYSQIHCQ-NXEZZACHSA-N -1 3 398.414 3.958 20 30 GHEDHM N#C[C@]1(C(=O)Nc2ccc(I)cc2[O-])CC2CCC1CC2 ZINC001466818763 1066335974 /nfs/dbraw/zinc/33/59/74/1066335974.db2.gz MENHAAJNAHZWGB-CLIRUNRCSA-N -1 3 396.228 3.655 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOC)c1[O-] ZINC001358202597 1067437916 /nfs/dbraw/zinc/43/79/16/1067437916.db2.gz XKYOISJGJIHPBH-QFIPXVFZSA-N -1 3 395.507 3.546 20 30 GHEDHM Cc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)c(Sc2ccc(Cl)cc2)c1 ZINC001468373251 1067708564 /nfs/dbraw/zinc/70/85/64/1067708564.db2.gz MFSLTWOLKCWPQC-OAHLLOKOSA-N -1 3 376.865 3.520 20 30 GHEDHM C#Cc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC001469003578 1067949510 /nfs/dbraw/zinc/94/95/10/1067949510.db2.gz AGBVHUBVLWEDPZ-HSZRJFAPSA-N -1 3 398.462 3.551 20 30 GHEDHM N#Cc1cccc(NC2CN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C2)c1 ZINC001470623100 1072653108 /nfs/dbraw/zinc/65/31/08/1072653108.db2.gz KWHFIYDTXFSURY-UHFFFAOYSA-N -1 3 397.478 3.986 20 30 GHEDHM CCc1ccc(C#CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1 ZINC001472357480 1073443894 /nfs/dbraw/zinc/44/38/94/1073443894.db2.gz KYRILBFDVDNHRN-UHFFFAOYSA-N -1 3 376.485 3.958 20 30 GHEDHM O=C([C@@H](c1cccc(F)c1)N1CCOCC1)N([O-])Cc1cccc2ccccc21 ZINC001472623254 1073582001 /nfs/dbraw/zinc/58/20/01/1073582001.db2.gz YOKQRJLQKUJWLE-JOCHJYFZSA-N -1 3 394.446 3.770 20 30 GHEDHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737214133 598925019 /nfs/dbraw/zinc/92/50/19/598925019.db2.gz GALSCAIMQRGMJX-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737214133 598925020 /nfs/dbraw/zinc/92/50/20/598925020.db2.gz GALSCAIMQRGMJX-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM N#Cc1cccc(OCc2cccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737730713 598979089 /nfs/dbraw/zinc/97/90/89/598979089.db2.gz QFOMOGPJMXUWKW-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM N#Cc1cccc(OCc2cccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737730713 598979091 /nfs/dbraw/zinc/97/90/91/598979091.db2.gz QFOMOGPJMXUWKW-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM C=CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000819759540 599112180 /nfs/dbraw/zinc/11/21/80/599112180.db2.gz ZGZZGFHYSVDKGS-LFIBNONCSA-N -1 3 388.427 3.653 20 30 GHEDHM C=CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000819759540 599112181 /nfs/dbraw/zinc/11/21/81/599112181.db2.gz ZGZZGFHYSVDKGS-LFIBNONCSA-N -1 3 388.427 3.653 20 30 GHEDHM Cc1c(C(=O)C=CC=Cc2ccccc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202930 599157567 /nfs/dbraw/zinc/15/75/67/599157567.db2.gz PYRKFBRHCKYNOD-NXZHAISVSA-N -1 3 382.427 3.813 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2cccc(F)c2o1 ZINC000735418117 599184157 /nfs/dbraw/zinc/18/41/57/599184157.db2.gz AXEDLDLGNWTAGW-UHFFFAOYSA-N -1 3 377.379 3.580 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2cccc(F)c2o1 ZINC000735418117 599184159 /nfs/dbraw/zinc/18/41/59/599184159.db2.gz AXEDLDLGNWTAGW-UHFFFAOYSA-N -1 3 377.379 3.580 20 30 GHEDHM CCCN(Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821109338 607305092 /nfs/dbraw/zinc/30/50/92/607305092.db2.gz IGAGJEMMLMJAIL-UHFFFAOYSA-N -1 3 387.369 3.569 20 30 GHEDHM CCCN(Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821109338 607305093 /nfs/dbraw/zinc/30/50/93/607305093.db2.gz IGAGJEMMLMJAIL-UHFFFAOYSA-N -1 3 387.369 3.569 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000737676095 598383479 /nfs/dbraw/zinc/38/34/79/598383479.db2.gz UURPUFDZPFTPQI-HVHJFMEUSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000737676095 598383481 /nfs/dbraw/zinc/38/34/81/598383481.db2.gz UURPUFDZPFTPQI-HVHJFMEUSA-N -1 3 399.241 3.568 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000735418468 598412150 /nfs/dbraw/zinc/41/21/50/598412150.db2.gz FPJHHADUVPUOGJ-HNNXBMFYSA-N -1 3 392.463 3.794 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000735418468 598412151 /nfs/dbraw/zinc/41/21/51/598412151.db2.gz FPJHHADUVPUOGJ-HNNXBMFYSA-N -1 3 392.463 3.794 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402098 598476053 /nfs/dbraw/zinc/47/60/53/598476053.db2.gz HVQVXITVKDFYFI-CQSZACIVSA-N -1 3 378.436 3.704 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402098 598476054 /nfs/dbraw/zinc/47/60/54/598476054.db2.gz HVQVXITVKDFYFI-CQSZACIVSA-N -1 3 378.436 3.704 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC000735419375 598498430 /nfs/dbraw/zinc/49/84/30/598498430.db2.gz SCVFBXYVQOXQTA-MRXNPFEDSA-N -1 3 375.476 3.747 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC000735419375 598498432 /nfs/dbraw/zinc/49/84/32/598498432.db2.gz SCVFBXYVQOXQTA-MRXNPFEDSA-N -1 3 375.476 3.747 20 30 GHEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735647988 598535865 /nfs/dbraw/zinc/53/58/65/598535865.db2.gz JGETTYBGXHFBEA-YFPIXMDGSA-N -1 3 386.459 3.558 20 30 GHEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735647988 598535866 /nfs/dbraw/zinc/53/58/66/598535866.db2.gz JGETTYBGXHFBEA-YFPIXMDGSA-N -1 3 386.459 3.558 20 30 GHEDHM Cc1nnc(Nc2ccc(Oc3cccc(C#N)c3)cc2)c(-c2nnn[n-]2)c1C ZINC000737534059 598557277 /nfs/dbraw/zinc/55/72/77/598557277.db2.gz RYMRVHYYJNRLED-UHFFFAOYSA-N -1 3 384.403 3.681 20 30 GHEDHM Cc1nnc(Nc2ccc(Oc3cccc(C#N)c3)cc2)c(-c2nn[n-]n2)c1C ZINC000737534059 598557278 /nfs/dbraw/zinc/55/72/78/598557278.db2.gz RYMRVHYYJNRLED-UHFFFAOYSA-N -1 3 384.403 3.681 20 30 GHEDHM C=CCN(CC=C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735418989 598564351 /nfs/dbraw/zinc/56/43/51/598564351.db2.gz NRDIMZWXJWMHDG-UHFFFAOYSA-N -1 3 376.420 3.865 20 30 GHEDHM C=CCN(CC=C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735418989 598564353 /nfs/dbraw/zinc/56/43/53/598564353.db2.gz NRDIMZWXJWMHDG-UHFFFAOYSA-N -1 3 376.420 3.865 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](CC)c1ccccc1 ZINC000735420153 598735569 /nfs/dbraw/zinc/73/55/69/598735569.db2.gz MSZBVELTSAIGAO-GOSISDBHSA-N -1 3 375.476 3.965 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](CC)c1ccccc1 ZINC000735420153 598735570 /nfs/dbraw/zinc/73/55/70/598735570.db2.gz MSZBVELTSAIGAO-GOSISDBHSA-N -1 3 375.476 3.965 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000735419793 598782629 /nfs/dbraw/zinc/78/26/29/598782629.db2.gz IRAULYPNJDHOLQ-MJGOQNOKSA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000735419793 598782631 /nfs/dbraw/zinc/78/26/31/598782631.db2.gz IRAULYPNJDHOLQ-MJGOQNOKSA-N -1 3 382.512 3.779 20 30 GHEDHM Cc1nnc(Nc2cccc(Oc3ccc(C#N)cc3)c2)c(-c2nnn[n-]2)c1C ZINC000737534768 598795989 /nfs/dbraw/zinc/79/59/89/598795989.db2.gz XAGQGCFMFGIVFP-UHFFFAOYSA-N -1 3 384.403 3.681 20 30 GHEDHM Cc1nnc(Nc2cccc(Oc3ccc(C#N)cc3)c2)c(-c2nn[n-]n2)c1C ZINC000737534768 598795990 /nfs/dbraw/zinc/79/59/90/598795990.db2.gz XAGQGCFMFGIVFP-UHFFFAOYSA-N -1 3 384.403 3.681 20 30 GHEDHM Clc1cc(Br)ccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000822567547 599335112 /nfs/dbraw/zinc/33/51/12/599335112.db2.gz CZIOXZCZGXCLKK-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM Clc1cc(Br)ccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000822567547 599335113 /nfs/dbraw/zinc/33/51/13/599335113.db2.gz CZIOXZCZGXCLKK-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c2ccccc12 ZINC000737067148 599460372 /nfs/dbraw/zinc/46/03/72/599460372.db2.gz RPTKIMZCVJQTRZ-VQHVLOKHSA-N -1 3 396.410 3.572 20 30 GHEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c2ccccc12 ZINC000737067148 599460374 /nfs/dbraw/zinc/46/03/74/599460374.db2.gz RPTKIMZCVJQTRZ-VQHVLOKHSA-N -1 3 396.410 3.572 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000735419912 599613570 /nfs/dbraw/zinc/61/35/70/599613570.db2.gz JXKPFAUPEIDAAC-KRWDZBQOSA-N -1 3 390.491 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000735419912 599613571 /nfs/dbraw/zinc/61/35/71/599613571.db2.gz JXKPFAUPEIDAAC-KRWDZBQOSA-N -1 3 390.491 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000735420868 599613898 /nfs/dbraw/zinc/61/38/98/599613898.db2.gz VCLRYLLFPRQJIZ-CQSZACIVSA-N -1 3 396.520 3.565 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000735420868 599613899 /nfs/dbraw/zinc/61/38/99/599613899.db2.gz VCLRYLLFPRQJIZ-CQSZACIVSA-N -1 3 396.520 3.565 20 30 GHEDHM Cc1ccc(C(=O)C2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000738504744 600563499 /nfs/dbraw/zinc/56/34/99/600563499.db2.gz ZKRQIXDRCVDJQV-NRFANRHFSA-N -1 3 376.456 3.896 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccc(F)cc1 ZINC000822015963 607460173 /nfs/dbraw/zinc/46/01/73/607460173.db2.gz RGJXDBMSFWRLGB-WTKPLQERSA-N -1 3 392.369 3.535 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccc(F)cc1 ZINC000822015963 607460174 /nfs/dbraw/zinc/46/01/74/607460174.db2.gz RGJXDBMSFWRLGB-WTKPLQERSA-N -1 3 392.369 3.535 20 30 GHEDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(SC)cc1OC ZINC000737880724 600795520 /nfs/dbraw/zinc/79/55/20/600795520.db2.gz HVKRVOYWAOIMCG-LJQANCHMSA-N -1 3 386.473 3.555 20 30 GHEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000739303939 602671027 /nfs/dbraw/zinc/67/10/27/602671027.db2.gz NCDCMCMMUAFMTN-SKDRFNHKSA-N -1 3 379.388 3.701 20 30 GHEDHM C=C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000833370860 604780160 /nfs/dbraw/zinc/78/01/60/604780160.db2.gz IBEJGVXZPOTKHR-RDPSFJRHSA-N -1 3 392.499 3.582 20 30 GHEDHM N#Cc1ccc(C=C2CSCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825677 606388999 /nfs/dbraw/zinc/38/89/99/606388999.db2.gz LEZRMSNHSZWMFF-IEESQIRDSA-N -1 3 397.510 3.644 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823505143 606389843 /nfs/dbraw/zinc/38/98/43/606389843.db2.gz XVCNIZYAARGHIW-SDCOAONHSA-N -1 3 379.401 3.666 20 30 GHEDHM N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822842392 606492544 /nfs/dbraw/zinc/49/25/44/606492544.db2.gz GSTCAZHXKCPLBM-UHFFFAOYSA-N -1 3 386.440 3.647 20 30 GHEDHM N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822842392 606492545 /nfs/dbraw/zinc/49/25/45/606492545.db2.gz GSTCAZHXKCPLBM-UHFFFAOYSA-N -1 3 386.440 3.647 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822842764 606533162 /nfs/dbraw/zinc/53/31/62/606533162.db2.gz XPNYIULMUQOSBB-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822842764 606533164 /nfs/dbraw/zinc/53/31/64/606533164.db2.gz XPNYIULMUQOSBB-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1ccccc1C#N ZINC000820550843 606852942 /nfs/dbraw/zinc/85/29/42/606852942.db2.gz ZXDDGXFLDXCPKH-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1ccccc1C#N ZINC000820550843 606852944 /nfs/dbraw/zinc/85/29/44/606852944.db2.gz ZXDDGXFLDXCPKH-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819853997 606865138 /nfs/dbraw/zinc/86/51/38/606865138.db2.gz ADBLYHCQGAPCHX-HNNXBMFYSA-N -1 3 394.504 3.999 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819853997 606865139 /nfs/dbraw/zinc/86/51/39/606865139.db2.gz ADBLYHCQGAPCHX-HNNXBMFYSA-N -1 3 394.504 3.999 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Br)c(F)c1 ZINC000822922638 607123048 /nfs/dbraw/zinc/12/30/48/607123048.db2.gz IJBSRJZMKRFNMO-GORDUTHDSA-N -1 3 379.214 3.726 20 30 GHEDHM Cc1c(C(=O)C=Cc2cnc(C3CCC3)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016121 607149047 /nfs/dbraw/zinc/14/90/47/607149047.db2.gz VLHWYVTVZLHSRD-FPLPWBNLSA-N -1 3 380.477 3.543 20 30 GHEDHM Cc1c(C(=O)C=Cc2cnc(C3CCC3)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016121 607149049 /nfs/dbraw/zinc/14/90/49/607149049.db2.gz VLHWYVTVZLHSRD-FPLPWBNLSA-N -1 3 380.477 3.543 20 30 GHEDHM C=CCOc1ccc(-c2nnc(SCc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000819759415 607169282 /nfs/dbraw/zinc/16/92/82/607169282.db2.gz XCGPRVFYFTYBHN-UHFFFAOYSA-N -1 3 392.444 3.774 20 30 GHEDHM C=CCOc1ccc(-c2nnc(SCc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000819759415 607169283 /nfs/dbraw/zinc/16/92/83/607169283.db2.gz XCGPRVFYFTYBHN-UHFFFAOYSA-N -1 3 392.444 3.774 20 30 GHEDHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000826283191 607785877 /nfs/dbraw/zinc/78/58/77/607785877.db2.gz MOCCJFYRALKNEJ-UHFFFAOYSA-N -1 3 390.447 3.578 20 30 GHEDHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000826283191 607785878 /nfs/dbraw/zinc/78/58/78/607785878.db2.gz MOCCJFYRALKNEJ-UHFFFAOYSA-N -1 3 390.447 3.578 20 30 GHEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)OCC ZINC000823873482 607923260 /nfs/dbraw/zinc/92/32/60/607923260.db2.gz MRLUPMFGFJWJEJ-HXUWFJFHSA-N -1 3 391.475 3.771 20 30 GHEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)OCC ZINC000823873482 607923261 /nfs/dbraw/zinc/92/32/61/607923261.db2.gz MRLUPMFGFJWJEJ-HXUWFJFHSA-N -1 3 391.475 3.771 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000823909532 608009625 /nfs/dbraw/zinc/00/96/25/608009625.db2.gz IBEOCJJXVCNKFY-UHFFFAOYSA-N -1 3 390.447 3.598 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000823909532 608009626 /nfs/dbraw/zinc/00/96/26/608009626.db2.gz IBEOCJJXVCNKFY-UHFFFAOYSA-N -1 3 390.447 3.598 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1S[C@@H](C)CC#N ZINC000826170563 608320706 /nfs/dbraw/zinc/32/07/06/608320706.db2.gz FRFIJDJUBJUJIJ-ZDUSSCGKSA-N -1 3 380.477 3.882 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1S[C@@H](C)CC#N ZINC000826170563 608320708 /nfs/dbraw/zinc/32/07/08/608320708.db2.gz FRFIJDJUBJUJIJ-ZDUSSCGKSA-N -1 3 380.477 3.882 20 30 GHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCOc3c(Cl)cccc32)n1 ZINC000826350157 608537508 /nfs/dbraw/zinc/53/75/08/608537508.db2.gz KMKSGHAMFOABDO-UHFFFAOYSA-N -1 3 390.234 3.557 20 30 GHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCOc3c(Cl)cccc32)n1 ZINC000826350157 608537509 /nfs/dbraw/zinc/53/75/09/608537509.db2.gz KMKSGHAMFOABDO-UHFFFAOYSA-N -1 3 390.234 3.557 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(Br)c1 ZINC000823958098 608538047 /nfs/dbraw/zinc/53/80/47/608538047.db2.gz BSCNEKFVXYUPIH-UHFFFAOYSA-N -1 3 392.648 3.514 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(Br)c1 ZINC000823958098 608538049 /nfs/dbraw/zinc/53/80/49/608538049.db2.gz BSCNEKFVXYUPIH-UHFFFAOYSA-N -1 3 392.648 3.514 20 30 GHEDHM CC(C)COc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000823958767 608538772 /nfs/dbraw/zinc/53/87/72/608538772.db2.gz VMHJQMVGSGENDW-UHFFFAOYSA-N -1 3 385.859 3.786 20 30 GHEDHM CC(C)COc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000823958767 608538774 /nfs/dbraw/zinc/53/87/74/608538774.db2.gz VMHJQMVGSGENDW-UHFFFAOYSA-N -1 3 385.859 3.786 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(OC)c1OC(C)C ZINC000823914162 608631158 /nfs/dbraw/zinc/63/11/58/608631158.db2.gz BYOYHISKKUFAQM-UHFFFAOYSA-N -1 3 393.491 3.851 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000826213868 608879513 /nfs/dbraw/zinc/87/95/13/608879513.db2.gz POQHKIDHZZMAIH-DAXSKMNVSA-N -1 3 378.363 3.965 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000826213868 608879514 /nfs/dbraw/zinc/87/95/14/608879514.db2.gz POQHKIDHZZMAIH-DAXSKMNVSA-N -1 3 378.363 3.965 20 30 GHEDHM CCCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000825339017 609271269 /nfs/dbraw/zinc/27/12/69/609271269.db2.gz LYCIUXNNEBTTIT-YWEYNIOJSA-N -1 3 382.395 3.699 20 30 GHEDHM CCCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000825339017 609271271 /nfs/dbraw/zinc/27/12/71/609271271.db2.gz LYCIUXNNEBTTIT-YWEYNIOJSA-N -1 3 382.395 3.699 20 30 GHEDHM COc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826176733 609369045 /nfs/dbraw/zinc/36/90/45/609369045.db2.gz BENYXAYGGFRQRN-CLFYSBASSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826176733 609369049 /nfs/dbraw/zinc/36/90/49/609369049.db2.gz BENYXAYGGFRQRN-CLFYSBASSA-N -1 3 385.221 3.534 20 30 GHEDHM C=CCc1cc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc(OC)c1O ZINC000823937233 609490054 /nfs/dbraw/zinc/49/00/54/609490054.db2.gz NIGIQJQTCPCUBC-UHFFFAOYSA-N -1 3 395.463 3.709 20 30 GHEDHM C=CCc1cc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc(OC)c1O ZINC000823937233 609490056 /nfs/dbraw/zinc/49/00/56/609490056.db2.gz NIGIQJQTCPCUBC-UHFFFAOYSA-N -1 3 395.463 3.709 20 30 GHEDHM N#CC(=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1)c1nnc2n1CCCCC2 ZINC000683220721 835240667 /nfs/dbraw/zinc/24/06/67/835240667.db2.gz GIOPQVCQEADYKR-SNVBAGLBSA-N -1 3 384.308 3.792 20 30 GHEDHM N#CC1(c2ccccn2)CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000548865667 835550223 /nfs/dbraw/zinc/55/02/23/835550223.db2.gz YSWRUUYWDOVLIC-UHFFFAOYSA-N -1 3 385.427 3.534 20 30 GHEDHM COc1ccccc1CC(=O)N1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000255755066 835723412 /nfs/dbraw/zinc/72/34/12/835723412.db2.gz MRPKEGBMORPYCP-UCQKPKSFSA-N -1 3 386.879 3.707 20 30 GHEDHM CC(C)Cn1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000892485055 836048254 /nfs/dbraw/zinc/04/82/54/836048254.db2.gz UFHFJBJOMWLZSZ-AWEZNQCLSA-N -1 3 392.431 3.815 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(C(C)C)nc1C ZINC000892494346 836192819 /nfs/dbraw/zinc/19/28/19/836192819.db2.gz CUGCPHVXAPMQPA-QGZVFWFLSA-N -1 3 378.476 3.994 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000365395564 836403693 /nfs/dbraw/zinc/40/36/93/836403693.db2.gz WCSYHLIADAVYLR-LJQANCHMSA-N -1 3 381.501 3.525 20 30 GHEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(F)(F)F ZINC000416602160 839482929 /nfs/dbraw/zinc/48/29/29/839482929.db2.gz SYZTUFKHRQPWEM-SECBINFHSA-N -1 3 388.333 3.834 20 30 GHEDHM O=C1[C@@H](/N=C\c2cc(Br)ccc2[O-])CCCN1Cc1ccccc1 ZINC000255218536 840062116 /nfs/dbraw/zinc/06/21/16/840062116.db2.gz NNQJKFKKBWYVNT-WCEBZYJUSA-N -1 3 387.277 3.765 20 30 GHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3csc(-c4ncccn4)n3)sc2C1 ZINC000603946446 861436096 /nfs/dbraw/zinc/43/60/96/861436096.db2.gz HAZASRTVNXZOSL-JTQLQIEISA-N -1 3 381.486 3.910 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OCc4cccnc4)c3)nc1-2 ZINC000429577244 843799489 /nfs/dbraw/zinc/79/94/89/843799489.db2.gz FBTSEXXKEZUSOP-SFHVURJKSA-N -1 3 383.411 3.730 20 30 GHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000182202534 843842454 /nfs/dbraw/zinc/84/24/54/843842454.db2.gz UIWCXYFROWQHGK-UHFFFAOYSA-N -1 3 396.410 3.707 20 30 GHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000182202534 843842458 /nfs/dbraw/zinc/84/24/58/843842458.db2.gz UIWCXYFROWQHGK-UHFFFAOYSA-N -1 3 396.410 3.707 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccccc2OC2(CCC2)C1 ZINC000899824118 861896463 /nfs/dbraw/zinc/89/64/63/861896463.db2.gz HONRXLARBYTVKI-UHFFFAOYSA-N -1 3 391.471 3.552 20 30 GHEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000121959905 848524316 /nfs/dbraw/zinc/52/43/16/848524316.db2.gz BQWSVLACRBUCBT-SSDOTTSWSA-N -1 3 393.152 3.693 20 30 GHEDHM C[C@H](C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)N(C)CC(F)(F)F ZINC000504298910 850004112 /nfs/dbraw/zinc/00/41/12/850004112.db2.gz QKWHRGPVBRQGQS-RDDDGLTNSA-N -1 3 378.263 3.567 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cc(C)ccc2C)CCCC1 ZINC000329736945 862276326 /nfs/dbraw/zinc/27/63/26/862276326.db2.gz LUSRJYLAFJEUQS-UHFFFAOYSA-N -1 3 391.493 3.788 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000732549157 862348623 /nfs/dbraw/zinc/34/86/23/862348623.db2.gz ZOHXTJAKEPQTQJ-GFCCVEGCSA-N -1 3 397.866 3.615 20 30 GHEDHM CN(CCc1cccc(C#N)c1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000913180359 853124880 /nfs/dbraw/zinc/12/48/80/853124880.db2.gz VZPYUSCOFZOLFD-UHFFFAOYSA-N -1 3 386.477 3.676 20 30 GHEDHM Cc1ccc(C)c(OCCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000913271559 853204020 /nfs/dbraw/zinc/20/40/20/853204020.db2.gz OTTJVKOATMWKAP-UHFFFAOYSA-N -1 3 382.460 3.837 20 30 GHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000570971370 853669021 /nfs/dbraw/zinc/66/90/21/853669021.db2.gz FZYVCJFLGDMLOH-UHFFFAOYSA-N -1 3 386.399 3.573 20 30 GHEDHM COc1ccc(Cl)cc1Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000273695559 855962104 /nfs/dbraw/zinc/96/21/04/855962104.db2.gz JDOJUPXHUFRCIQ-UHFFFAOYSA-N -1 3 398.850 3.697 20 30 GHEDHM C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000428047544 857058835 /nfs/dbraw/zinc/05/88/35/857058835.db2.gz FMOTYOOWJDGALF-MRXNPFEDSA-N -1 3 388.464 3.807 20 30 GHEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000592351240 857161394 /nfs/dbraw/zinc/16/13/94/857161394.db2.gz JQSVROGWYAVHPT-HXUWFJFHSA-N -1 3 388.489 3.550 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000485947781 857240030 /nfs/dbraw/zinc/24/00/30/857240030.db2.gz AAEHKIVQYWHSAV-CYBMUJFWSA-N -1 3 388.798 3.836 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486575283 857877616 /nfs/dbraw/zinc/87/76/16/857877616.db2.gz MSKDDNLPANFINB-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000160467234 858935151 /nfs/dbraw/zinc/93/51/51/858935151.db2.gz DALXIDJHZOOCGS-FQEVSTJZSA-N -1 3 393.487 3.567 20 30 GHEDHM COCc1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1 ZINC000764691166 859565444 /nfs/dbraw/zinc/56/54/44/859565444.db2.gz XUJJMDOPBPNBRA-UHFFFAOYSA-N -1 3 385.445 3.673 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000611549989 859808299 /nfs/dbraw/zinc/80/82/99/859808299.db2.gz LLTLTJVHHNYQDP-OEIFXAAASA-N -1 3 375.472 3.913 20 30 GHEDHM CC(C)(C)c1n[nH]cc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058094 859911505 /nfs/dbraw/zinc/91/15/05/859911505.db2.gz GEQSKGGCGKMXPS-UHFFFAOYSA-N -1 3 397.504 3.954 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(C(=O)OCc3ccccc3)c2)c1[O-] ZINC000727265724 860020197 /nfs/dbraw/zinc/02/01/97/860020197.db2.gz WDJRQXSAYHBVGO-ZMOGYAJESA-N -1 3 390.439 3.564 20 30 GHEDHM Cc1csc([C@@](O)(CC(=O)N([O-])Cc2ccccc2Cl)C(F)(F)F)n1 ZINC000904188839 860214074 /nfs/dbraw/zinc/21/40/74/860214074.db2.gz PZPYRSWTJURKNH-AWEZNQCLSA-N -1 3 394.802 3.663 20 30 GHEDHM CCCN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)Cc1ccc(C#N)cc1 ZINC000904191237 860216900 /nfs/dbraw/zinc/21/69/00/860216900.db2.gz POLCYTOJAAOLSG-UHFFFAOYSA-N -1 3 381.476 3.864 20 30 GHEDHM CCCCCn1nc(C([O-])=C(C#N)c2nc(C)cs2)c2ccccc2c1=O ZINC000041521360 860807138 /nfs/dbraw/zinc/80/71/38/860807138.db2.gz WGAUJACWTINFJN-MRXNPFEDSA-N -1 3 380.473 3.842 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000130000990 863235583 /nfs/dbraw/zinc/23/55/83/863235583.db2.gz YKCIXUSAGKIXRG-AWEZNQCLSA-N -1 3 382.464 3.731 20 30 GHEDHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000480224374 864293454 /nfs/dbraw/zinc/29/34/54/864293454.db2.gz YOSAFGMJRQEKAN-UHFFFAOYSA-N -1 3 398.426 3.722 20 30 GHEDHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736330837 865182310 /nfs/dbraw/zinc/18/23/10/865182310.db2.gz ZWQKJKZVNWDKPF-CFRMROPGSA-N -1 3 388.431 3.568 20 30 GHEDHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736330837 865182314 /nfs/dbraw/zinc/18/23/14/865182314.db2.gz ZWQKJKZVNWDKPF-CFRMROPGSA-N -1 3 388.431 3.568 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(Br)c1 ZINC000173977017 865294676 /nfs/dbraw/zinc/29/46/76/865294676.db2.gz HDCDWUOAWBQORW-LLVKDONJSA-N -1 3 391.196 3.558 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000555072351 865455422 /nfs/dbraw/zinc/45/54/22/865455422.db2.gz MYVGLDJDTCTDKP-AWEZNQCLSA-N -1 3 375.881 3.727 20 30 GHEDHM COc1ccc(NN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000793112117 881948561 /nfs/dbraw/zinc/94/85/61/881948561.db2.gz POODLJZIJRVDOE-UHFFFAOYSA-N -1 3 385.298 3.782 20 30 GHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cn(-c4cccc(Cl)c4)nn3)[nH]c21 ZINC000444453469 866674004 /nfs/dbraw/zinc/67/40/04/866674004.db2.gz IHBJGIHVEWNMKZ-AWEZNQCLSA-N -1 3 376.807 3.596 20 30 GHEDHM COC(=O)C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(C(C)(C)C)cc1 ZINC000737445304 866769525 /nfs/dbraw/zinc/76/95/25/866769525.db2.gz ZSECCIFQYCGWPI-QVHMZZSFSA-N -1 3 384.476 3.609 20 30 GHEDHM N#Cc1cccc(-c2nnc(CO[N-]C(=O)Cc3cccc4ccccc43)o2)c1 ZINC000742357909 867231654 /nfs/dbraw/zinc/23/16/54/867231654.db2.gz ALUXACRSSSXBIM-UHFFFAOYSA-N -1 3 384.395 3.552 20 30 GHEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000479158892 867259039 /nfs/dbraw/zinc/25/90/39/867259039.db2.gz NCSCLBFGTFJLPS-HZMBPMFUSA-N -1 3 391.718 3.853 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)cc1 ZINC000445175424 867925590 /nfs/dbraw/zinc/92/55/90/867925590.db2.gz SSBNEDZLAZXNRC-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000428393175 867927056 /nfs/dbraw/zinc/92/70/56/867927056.db2.gz MRNHNAMBTAPRKI-OAHLLOKOSA-N -1 3 395.406 3.958 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)s1 ZINC000535137161 868237655 /nfs/dbraw/zinc/23/76/55/868237655.db2.gz INVUYHRVBYKRJG-LBPRGKRZSA-N -1 3 377.329 3.570 20 30 GHEDHM C[C@@](C#N)(NC(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CC1 ZINC000746079060 869997019 /nfs/dbraw/zinc/99/70/19/869997019.db2.gz LILNCTRJJOASRF-NRFANRHFSA-N -1 3 398.846 3.678 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)c(C)cc2Br)c1 ZINC001193681122 871232813 /nfs/dbraw/zinc/23/28/13/871232813.db2.gz QZADRPQLZJCGLO-UHFFFAOYSA-N -1 3 399.241 3.578 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000539111861 871328789 /nfs/dbraw/zinc/32/87/89/871328789.db2.gz OAXGNRPJUVFPIF-UHFFFAOYSA-N -1 3 389.477 3.582 20 30 GHEDHM Cc1ccc(C(=N[O-])Nc2c(F)c(F)c(F)c(F)c2Br)nc1 ZINC001169408716 871455037 /nfs/dbraw/zinc/45/50/37/871455037.db2.gz VZEOGZYJTDZGEQ-UHFFFAOYSA-N -1 3 378.123 3.957 20 30 GHEDHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000525931998 871765530 /nfs/dbraw/zinc/76/55/30/871765530.db2.gz SQBBLETUCQXCLF-UHFFFAOYSA-N -1 3 388.814 3.930 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)sc1Br ZINC000618715793 871889789 /nfs/dbraw/zinc/88/97/89/871889789.db2.gz JUXPDMKJLXVBPN-CYBMUJFWSA-N -1 3 397.319 3.657 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc([O-])c4ccccc4c3)C2)c(F)c1 ZINC000527162411 872760895 /nfs/dbraw/zinc/76/08/95/872760895.db2.gz YAJRVXAZWHAXNI-SFHVURJKSA-N -1 3 389.430 3.955 20 30 GHEDHM CC(C)COc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1Cl ZINC000182876000 872887672 /nfs/dbraw/zinc/88/76/72/872887672.db2.gz SZCVDHGCETWEHG-CQSZACIVSA-N -1 3 387.871 3.578 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C)cc1 ZINC001196550803 873204046 /nfs/dbraw/zinc/20/40/46/873204046.db2.gz BSTCKWXPYSKUHW-UHFFFAOYSA-N -1 3 380.263 3.570 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)nc1C ZINC000102595850 873297224 /nfs/dbraw/zinc/29/72/24/873297224.db2.gz AREFPXVLVKZXGR-KRWDZBQOSA-N -1 3 388.427 3.541 20 30 GHEDHM CSc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c2ccccn12 ZINC000464412465 873795757 /nfs/dbraw/zinc/79/57/57/873795757.db2.gz VFBCKSPPXXMGJA-NSHDSACASA-N -1 3 376.363 3.960 20 30 GHEDHM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000769946270 874359265 /nfs/dbraw/zinc/35/92/65/874359265.db2.gz PYFCXSFXZHLYQA-CYBMUJFWSA-N -1 3 376.819 3.998 20 30 GHEDHM N#CC(=C([O-])c1ccc(N2CCOCC2)cc1)c1nc2cc(F)ccc2s1 ZINC000770125986 874481787 /nfs/dbraw/zinc/48/17/87/874481787.db2.gz YENMLBYOTHFRDS-MRXNPFEDSA-N -1 3 381.432 3.762 20 30 GHEDHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(=O)[n-]1 ZINC000542061517 874845665 /nfs/dbraw/zinc/84/56/65/874845665.db2.gz OMTVFDNNIHGGQZ-CQSZACIVSA-N -1 3 386.455 3.758 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc(C(F)(F)F)nn2Cc2ccccc2)ccc1[O-] ZINC001199598005 875068604 /nfs/dbraw/zinc/06/86/04/875068604.db2.gz MNZDNARXKUBMMZ-UHFFFAOYSA-N -1 3 386.333 3.780 20 30 GHEDHM CCOc1cc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)cc(Cl)c1[O-] ZINC000550957714 882910752 /nfs/dbraw/zinc/91/07/52/882910752.db2.gz MUXWXAFKRXLTEQ-GOSISDBHSA-N -1 3 385.895 3.654 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)cc1C#N ZINC001201295512 875615910 /nfs/dbraw/zinc/61/59/10/875615910.db2.gz TZNNCYQAHKCJCV-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(C#N)c2)cc1C#N ZINC001201319570 875630755 /nfs/dbraw/zinc/63/07/55/875630755.db2.gz BQVIGQMWRHCLKX-UHFFFAOYSA-N -1 3 380.473 3.529 20 30 GHEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(C)C ZINC000530133071 877175471 /nfs/dbraw/zinc/17/54/71/877175471.db2.gz CTBNYIUOEFTXJJ-UHFFFAOYSA-N -1 3 388.489 3.702 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000785414173 878066572 /nfs/dbraw/zinc/06/65/72/878066572.db2.gz UEBKXCCHLMMLQO-UHFFFAOYSA-N -1 3 390.436 3.723 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1cccc(C(F)(F)F)c1 ZINC000788844155 878378916 /nfs/dbraw/zinc/37/89/16/878378916.db2.gz QPSRXTFJMAKHRK-INIZCTEOSA-N -1 3 394.374 3.623 20 30 GHEDHM N#Cc1cc(NC(=O)C[S@](=O)C(c2ccccc2)c2ccccc2)ccc1[O-] ZINC001183233968 912364334 /nfs/dbraw/zinc/36/43/34/912364334.db2.gz SNZMUGFTBRHFER-NDEPHWFRSA-N -1 3 390.464 3.741 20 30 GHEDHM CCN(CC)Cc1csc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000789904511 879349668 /nfs/dbraw/zinc/34/96/68/879349668.db2.gz QPMJKUJGIARLJB-UHFFFAOYSA-N -1 3 381.461 3.764 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 ZINC001212294644 879650524 /nfs/dbraw/zinc/65/05/24/879650524.db2.gz KXVKXNGHRRRGEM-ZDUSSCGKSA-N -1 3 385.228 3.554 20 30 GHEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000112222708 879798056 /nfs/dbraw/zinc/79/80/56/879798056.db2.gz HSIGKSPMSXWJSJ-HNNXBMFYSA-N -1 3 396.809 3.934 20 30 GHEDHM C=CCN(CCOC)Cc1cc(Br)cc(Br)c1[O-] ZINC000792193157 880980385 /nfs/dbraw/zinc/98/03/85/880980385.db2.gz SZSKHBNMMFJJNG-UHFFFAOYSA-N -1 3 379.092 3.552 20 30 GHEDHM CCc1cc(N2CCC(/N=C/c3cc(Br)ccc3[O-])CC2)ncn1 ZINC000175067263 883233262 /nfs/dbraw/zinc/23/32/62/883233262.db2.gz PEBZENOVLRYTRF-RGVLZGJSSA-N -1 3 389.297 3.595 20 30 GHEDHM N#Cc1ccccc1OC1CCC(NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000609535828 883325969 /nfs/dbraw/zinc/32/59/69/883325969.db2.gz LAGQGZBITBGCGI-UHFFFAOYSA-N -1 3 387.439 3.520 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)sc1Br ZINC000542517093 884050568 /nfs/dbraw/zinc/05/05/68/884050568.db2.gz HETVRWXROBRAQR-RNCFNFMXSA-N -1 3 377.329 3.570 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cnc(C2CCC2)s1 ZINC000760234532 884082991 /nfs/dbraw/zinc/08/29/91/884082991.db2.gz UNAJQPZHYDIUHZ-OAHLLOKOSA-N -1 3 399.501 3.686 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccc(Br)cc3)CCC2)c1[O-] ZINC000918712588 884215867 /nfs/dbraw/zinc/21/58/67/884215867.db2.gz CHVIPHASMAUAEE-FBHDLOMBSA-N -1 3 389.293 3.891 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000476316648 884413436 /nfs/dbraw/zinc/41/34/36/884413436.db2.gz YCLSYWKCMLHWBP-VXGBXAGGSA-N -1 3 380.819 3.859 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n[n-]2)o1 ZINC000919324416 885378816 /nfs/dbraw/zinc/37/88/16/885378816.db2.gz IBEDTSSWHQGLTK-NSHDSACASA-N -1 3 398.806 3.687 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)[n-]n2)o1 ZINC000919324416 885378838 /nfs/dbraw/zinc/37/88/38/885378838.db2.gz IBEDTSSWHQGLTK-NSHDSACASA-N -1 3 398.806 3.687 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000130152755 886080565 /nfs/dbraw/zinc/08/05/65/886080565.db2.gz RDYCLVRAGIDCCU-UHFFFAOYSA-N -1 3 399.441 3.660 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1SC(F)F ZINC000104892212 886307751 /nfs/dbraw/zinc/30/77/51/886307751.db2.gz BAPBMHFCKWQYGS-UHFFFAOYSA-N -1 3 377.416 3.749 20 30 GHEDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184236404 913093120 /nfs/dbraw/zinc/09/31/20/913093120.db2.gz XIGOLCUMBSRHGH-UHFFFAOYSA-N -1 3 395.202 3.669 20 30 GHEDHM CC[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC[C@H]1c1ccccc1 ZINC000173529525 887352206 /nfs/dbraw/zinc/35/22/06/887352206.db2.gz GQCOTLNJAFITPU-WIYYLYMNSA-N -1 3 391.515 3.838 20 30 GHEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(CC)CC)no1 ZINC000809400219 887399561 /nfs/dbraw/zinc/39/95/61/887399561.db2.gz WANFQLFMGZIQGC-OAHLLOKOSA-N -1 3 390.509 3.943 20 30 GHEDHM COc1cc(C(=O)/C=C\c2ccc(OC)c(OC)c2Cl)c(OC)cc1[O-] ZINC000763107666 887670388 /nfs/dbraw/zinc/67/03/88/887670388.db2.gz VWWCCFAAEHKQHD-ALCCZGGFSA-N -1 3 378.808 3.976 20 30 GHEDHM COc1ccccc1NC(=S)NN=C(C)c1cc(Br)ccc1[O-] ZINC000915926225 888561366 /nfs/dbraw/zinc/56/13/66/888561366.db2.gz YADPVCQCKXLJBN-UHFFFAOYSA-N -1 3 394.294 3.874 20 30 GHEDHM CCOc1cc(C=NN2C(=S)N=NC2c2cccs2)cc(Cl)c1[O-] ZINC000916314184 888915866 /nfs/dbraw/zinc/91/58/66/888915866.db2.gz OQDFYBOMAWRSPG-UHFFFAOYSA-N -1 3 380.882 3.935 20 30 GHEDHM CC(C)(C)c1ccnc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001184565469 913293617 /nfs/dbraw/zinc/29/36/17/913293617.db2.gz BIUVMCYKCXUGKS-UHFFFAOYSA-N -1 3 381.354 3.844 20 30 GHEDHM C=CCC[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000810901988 889012024 /nfs/dbraw/zinc/01/20/24/889012024.db2.gz BFMQYPMAMGQFBI-NVXWUHKLSA-N -1 3 382.426 3.654 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(N3CCCC3)n2)cc1 ZINC000870145628 890233128 /nfs/dbraw/zinc/23/31/28/890233128.db2.gz OXJYODYGUCLEPV-QAPCUYQASA-N -1 3 391.475 3.551 20 30 GHEDHM CCC(C#N)(CC)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871318309 890754300 /nfs/dbraw/zinc/75/43/00/890754300.db2.gz YUNSJIRFKNKKMG-ZDUSSCGKSA-N -1 3 381.398 3.515 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccccc1CC(F)(F)F)[n-]c2=O ZINC000872351887 891244522 /nfs/dbraw/zinc/24/45/22/891244522.db2.gz VSGCUMDWMGECHR-UHFFFAOYSA-N -1 3 392.385 3.838 20 30 GHEDHM CCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OCCC ZINC000917507937 892106239 /nfs/dbraw/zinc/10/62/39/892106239.db2.gz DBUFRXGNFLOYQF-MRXNPFEDSA-N -1 3 381.432 3.620 20 30 GHEDHM C[C@@H](Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1)c1ccccc1 ZINC000917509936 892109024 /nfs/dbraw/zinc/10/90/24/892109024.db2.gz VJYRDDLOHXEUFK-QAPCUYQASA-N -1 3 386.411 3.578 20 30 GHEDHM C[C@H](Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1)c1ccccc1 ZINC000917509937 892109730 /nfs/dbraw/zinc/10/97/30/892109730.db2.gz VJYRDDLOHXEUFK-YJBOKZPZSA-N -1 3 386.411 3.578 20 30 GHEDHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3cnc(C4CC4)o3)c(C#N)c21 ZINC001185196245 913750653 /nfs/dbraw/zinc/75/06/53/913750653.db2.gz FFMUSENCTYQQMD-LLVKDONJSA-N -1 3 385.445 3.720 20 30 GHEDHM COCc1nc(Cl)cc(N=NC(C)c2ccc(Br)cc2[O-])n1 ZINC000814974875 893312801 /nfs/dbraw/zinc/31/28/01/893312801.db2.gz IRMQRAFHBIJHSG-UHFFFAOYSA-N -1 3 385.649 3.581 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nsc2ccc(C)cc21 ZINC000815908527 894283740 /nfs/dbraw/zinc/28/37/40/894283740.db2.gz DJGUXILWAPBBFP-CQSZACIVSA-N -1 3 379.441 3.965 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(Cl)cc(OC)c2)C1=O ZINC000816542627 894913560 /nfs/dbraw/zinc/91/35/60/894913560.db2.gz WFSUWQJPKRPONE-IBGZPJMESA-N -1 3 395.887 3.664 20 30 GHEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2c(F)cccc2F)c(OC)cc1[O-] ZINC000129108499 896388201 /nfs/dbraw/zinc/38/82/01/896388201.db2.gz WYFQCRUMAIPWDS-VOTSOKGWSA-N -1 3 386.354 3.974 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)cc1 ZINC000131236226 897375116 /nfs/dbraw/zinc/37/51/16/897375116.db2.gz RYCCWIZWIOWWMN-HNAYVOBHSA-N -1 3 387.443 3.742 20 30 GHEDHM C#CCCC1(CCNC(=O)CCCCCCCNC(=O)c2ccccc2[O-])N=N1 ZINC001185939678 914182862 /nfs/dbraw/zinc/18/28/62/914182862.db2.gz GRSFEAIZYJPWIS-UHFFFAOYSA-N -1 3 398.507 3.544 20 30 GHEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC001136672993 898854765 /nfs/dbraw/zinc/85/47/65/898854765.db2.gz FTOIVFUGPBLMLT-OAHLLOKOSA-N -1 3 390.226 3.818 20 30 GHEDHM N#Cc1c(Cl)cccc1SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826383369 898991493 /nfs/dbraw/zinc/99/14/93/898991493.db2.gz XQWJPJLAVKDODK-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1c(Cl)cccc1SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826383369 898991506 /nfs/dbraw/zinc/99/15/06/898991506.db2.gz XQWJPJLAVKDODK-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#CC1([N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)CCCCC1 ZINC000569972326 899049996 /nfs/dbraw/zinc/04/99/96/899049996.db2.gz ZAZXWAOLVHDHOX-UHFFFAOYSA-N -1 3 391.718 3.748 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000823909720 899296784 /nfs/dbraw/zinc/29/67/84/899296784.db2.gz OLKZABRNKIXVLM-HXUWFJFHSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000823909720 899296803 /nfs/dbraw/zinc/29/68/03/899296803.db2.gz OLKZABRNKIXVLM-HXUWFJFHSA-N -1 3 391.475 3.584 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3cc(=O)[n-]c(C4CC4)n3)c2)s1 ZINC001136882109 899622120 /nfs/dbraw/zinc/62/21/20/899622120.db2.gz BQHDEUHULVFLRK-UHFFFAOYSA-N -1 3 376.441 3.590 20 30 GHEDHM C[C@H](Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662603 899750011 /nfs/dbraw/zinc/75/00/11/899750011.db2.gz NWSCWQMUVDALMA-LBPRGKRZSA-N -1 3 390.838 3.751 20 30 GHEDHM C[C@H](Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662603 899750020 /nfs/dbraw/zinc/75/00/20/899750020.db2.gz NWSCWQMUVDALMA-LBPRGKRZSA-N -1 3 390.838 3.751 20 30 GHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000826402051 899791378 /nfs/dbraw/zinc/79/13/78/899791378.db2.gz LZXOJBZTXWMAGR-PKNBQFBNSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000826402051 899791384 /nfs/dbraw/zinc/79/13/84/899791384.db2.gz LZXOJBZTXWMAGR-PKNBQFBNSA-N -1 3 377.423 3.892 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nnc(C2CCCC2)o1 ZINC000845843289 902410023 /nfs/dbraw/zinc/41/00/23/902410023.db2.gz ZLQIYVPRRHYIEM-QGZVFWFLSA-N -1 3 377.444 3.670 20 30 GHEDHM COc1ccc(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(Cl)c1OC ZINC000845845534 902414067 /nfs/dbraw/zinc/41/40/67/902414067.db2.gz YKYFUJJCVKAREA-MRXNPFEDSA-N -1 3 397.858 3.909 20 30 GHEDHM COc1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(Cl)c1OC ZINC000845845534 902414074 /nfs/dbraw/zinc/41/40/74/902414074.db2.gz YKYFUJJCVKAREA-MRXNPFEDSA-N -1 3 397.858 3.909 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2c(F)cccc2F)CCC1 ZINC000600813321 902950264 /nfs/dbraw/zinc/95/02/64/902950264.db2.gz OUISEAWTDGJOGL-UHFFFAOYSA-N -1 3 385.414 3.682 20 30 GHEDHM N#CC(=C([O-])c1ccc(I)cc1)c1cnc2ccccc2n1 ZINC000190941727 906458304 /nfs/dbraw/zinc/45/83/04/906458304.db2.gz NXXSKLNJGVFLAC-ZDUSSCGKSA-N -1 3 399.191 3.724 20 30 GHEDHM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)c1cnc2ccccc2n1 ZINC000190976927 906499520 /nfs/dbraw/zinc/49/95/20/906499520.db2.gz WPQKPVPFEPAISU-INIZCTEOSA-N -1 3 397.438 3.878 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000193403389 908336107 /nfs/dbraw/zinc/33/61/07/908336107.db2.gz IEDSFTRQLDMJHJ-INIZCTEOSA-N -1 3 382.782 3.626 20 30 GHEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)ccc1Cl ZINC000779759101 908620493 /nfs/dbraw/zinc/62/04/93/908620493.db2.gz DCXFFPGYCPFGRN-MRXNPFEDSA-N -1 3 386.864 3.923 20 30 GHEDHM COc1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1Br ZINC000005335220 915001728 /nfs/dbraw/zinc/00/17/28/915001728.db2.gz PCZDYHFDRGRJMD-OTWRLEFPSA-N -1 3 379.254 3.539 20 30 GHEDHM CCn1nc(C)c(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)n1 ZINC000293251843 916084349 /nfs/dbraw/zinc/08/43/49/916084349.db2.gz CYPCRXBOCCFJOE-UHFFFAOYSA-N -1 3 383.399 3.883 20 30 GHEDHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1 ZINC001188696567 916118849 /nfs/dbraw/zinc/11/88/49/916118849.db2.gz OTTYLAPOSNOONM-UHFFFAOYSA-N -1 3 378.363 3.516 20 30 GHEDHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(-c2ccc(C#N)c(F)c2)cc1 ZINC001188696567 916118861 /nfs/dbraw/zinc/11/88/61/916118861.db2.gz OTTYLAPOSNOONM-UHFFFAOYSA-N -1 3 378.363 3.516 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000294078060 916570190 /nfs/dbraw/zinc/57/01/90/916570190.db2.gz NDVSRSZPVBHSOG-KRWDZBQOSA-N -1 3 399.878 3.542 20 30 GHEDHM N#CC12CCC([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)(CC1)CC2 ZINC001190340552 917272270 /nfs/dbraw/zinc/27/22/70/917272270.db2.gz XGXXDBLWFKBMAT-UHFFFAOYSA-N -1 3 376.375 3.739 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC001190611115 917448106 /nfs/dbraw/zinc/44/81/06/917448106.db2.gz JZUGREGHGUUUII-FQEVSTJZSA-N -1 3 380.444 3.960 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2c3ccccc3Oc3ccccc32)c1 ZINC001190671673 917466417 /nfs/dbraw/zinc/46/64/17/917466417.db2.gz UQWGCFQZCDSLPM-UHFFFAOYSA-N -1 3 380.400 3.871 20 30 GHEDHM CCOc1c(F)cc(C(=O)[N-]c2c(C#N)csc2C(=O)OC)cc1Cl ZINC001190730108 917532459 /nfs/dbraw/zinc/53/24/59/917532459.db2.gz XEHBUDRUUMXZHP-UHFFFAOYSA-N -1 3 382.800 3.850 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(F)ccc2C(F)(F)F)c1 ZINC001190988885 917688452 /nfs/dbraw/zinc/68/84/52/917688452.db2.gz KMQTZJMNAASEKT-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)c(=O)[n-]1 ZINC000297698683 919626438 /nfs/dbraw/zinc/62/64/38/919626438.db2.gz FTKKSVREVFTBDL-GHMZBOCLSA-N -1 3 384.505 3.989 20 30 GHEDHM O=C(CCC(=O)N1CCOc2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC000901369867 921046299 /nfs/dbraw/zinc/04/62/99/921046299.db2.gz IWBIUWWYNXFASE-UHFFFAOYSA-N -1 3 390.439 3.763 20 30 GHEDHM O=C(c1cc(N2CCNC2=O)ccc1F)N([O-])Cc1cccc2ccccc21 ZINC000901371253 921047913 /nfs/dbraw/zinc/04/79/13/921047913.db2.gz PSKCFMMMMATMNM-UHFFFAOYSA-N -1 3 379.391 3.540 20 30 GHEDHM CCS(=O)(=O)c1ccc(CCC(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC000901370773 921048443 /nfs/dbraw/zinc/04/84/43/921048443.db2.gz FXYZRHBBELJGNZ-UHFFFAOYSA-N -1 3 397.496 3.984 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N([O-])Cc1ccc(F)cc1 ZINC000901376808 921053963 /nfs/dbraw/zinc/05/39/63/921053963.db2.gz YHAMALKXUUXXTP-KRWDZBQOSA-N -1 3 378.403 3.750 20 30 GHEDHM CCS(=O)(=O)c1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC000901378927 921055495 /nfs/dbraw/zinc/05/54/95/921055495.db2.gz MMKWQFDWLVFAOC-UHFFFAOYSA-N -1 3 388.272 3.819 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365664334 921060371 /nfs/dbraw/zinc/06/03/71/921060371.db2.gz YZFPENXOUATTNQ-NHCUHLMSSA-N -1 3 388.471 3.507 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1nccn1-c1ccccc1 ZINC000803069937 922651858 /nfs/dbraw/zinc/65/18/58/922651858.db2.gz MECUUQQLZRKEAP-INIZCTEOSA-N -1 3 390.443 3.698 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(N3CCc4sccc4C3)cc2)c1[O-] ZINC000748585565 923729131 /nfs/dbraw/zinc/72/91/31/923729131.db2.gz IBFIOENUGFBXBF-UHFFFAOYSA-N -1 3 379.485 3.963 20 30 GHEDHM Cc1c[nH]c(-c2ccccc2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000371246275 924492845 /nfs/dbraw/zinc/49/28/45/924492845.db2.gz CCRAWSCWZRYGGN-UHFFFAOYSA-N -1 3 375.432 3.546 20 30 GHEDHM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000726732163 926822566 /nfs/dbraw/zinc/82/25/66/926822566.db2.gz BHWVBLSCHGMIIX-HNNXBMFYSA-N -1 3 378.819 3.795 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccnc(C2CC2)c1 ZINC000783349820 931524401 /nfs/dbraw/zinc/52/44/01/931524401.db2.gz JZDJXRHQQMFUNX-CQSZACIVSA-N -1 3 383.835 3.891 20 30 GHEDHM Cc1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc2cccnc12 ZINC000783842637 931686652 /nfs/dbraw/zinc/68/66/52/931686652.db2.gz NJSXXTPIAMEUPL-UHFFFAOYSA-N -1 3 375.436 3.590 20 30 GHEDHM COCCOc1ccc(C#N)cc1NCc1cc(C)cc(Br)c1[O-] ZINC000784671128 931973443 /nfs/dbraw/zinc/97/34/43/931973443.db2.gz QMRFOKARHDANBL-UHFFFAOYSA-N -1 3 391.265 3.972 20 30 GHEDHM Cc1ccc(F)cc1C1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CC1 ZINC000558397568 931978943 /nfs/dbraw/zinc/97/89/43/931978943.db2.gz JDDOJNVTRMLWFV-UHFFFAOYSA-N -1 3 392.434 3.971 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc([C@H]3CCCOC3)nc2C)cc1 ZINC000796742769 932050815 /nfs/dbraw/zinc/05/08/15/932050815.db2.gz CUEHUQYYLGZWNF-DOTOQJQBSA-N -1 3 397.500 3.869 20 30 GHEDHM C=CC[C@@H](CC)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000799035041 932858521 /nfs/dbraw/zinc/85/85/21/932858521.db2.gz QWVDEQPZPVATID-OAHLLOKOSA-N -1 3 398.459 3.746 20 30 GHEDHM N#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC001115843338 933219207 /nfs/dbraw/zinc/21/92/07/933219207.db2.gz JPQQRZUMKFBNJT-UHFFFAOYSA-N -1 3 376.437 3.961 20 30 GHEDHM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000777833806 933647678 /nfs/dbraw/zinc/64/76/78/933647678.db2.gz JUOGKPHCFMNQMT-NSHDSACASA-N -1 3 393.336 3.766 20 30 GHEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000561559959 934272258 /nfs/dbraw/zinc/27/22/58/934272258.db2.gz XWGQOGHOILQTRC-UHFFFAOYSA-N -1 3 379.707 3.711 20 30 GHEDHM CC(C)n1cc(Br)cc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001122405977 934862981 /nfs/dbraw/zinc/86/29/81/934862981.db2.gz BGGGGINNHHUBNR-CYBMUJFWSA-N -1 3 398.264 3.847 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])C=Cc1ccc(C(=O)OC(C)(C)C)o1 ZINC001123336282 935164619 /nfs/dbraw/zinc/16/46/19/935164619.db2.gz GCEYFTTXSWQXTO-HWPRWLFBSA-N -1 3 375.812 3.511 20 30 GHEDHM C=CC1(CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001573316408 947274881 /nfs/dbraw/zinc/27/48/81/947274881.db2.gz WSLFKNOUYWXKIQ-UHFFFAOYSA-N -1 3 377.452 3.518 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H](CC)C1 ZINC001573334190 947449620 /nfs/dbraw/zinc/44/96/20/947449620.db2.gz ALTFYPUDQFVGCL-INIZCTEOSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H](CC)C1 ZINC001573334190 947449625 /nfs/dbraw/zinc/44/96/25/947449625.db2.gz ALTFYPUDQFVGCL-INIZCTEOSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCCCCn1c([C@@H](C)CC)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573335484 947480373 /nfs/dbraw/zinc/48/03/73/947480373.db2.gz PGFIFDPFBCKHHK-INIZCTEOSA-N -1 3 394.527 3.964 20 30 GHEDHM C=CCCCCn1c([C@@H](C)CC)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573335484 947480379 /nfs/dbraw/zinc/48/03/79/947480379.db2.gz PGFIFDPFBCKHHK-INIZCTEOSA-N -1 3 394.527 3.964 20 30 GHEDHM N#Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Br)c1 ZINC001594620183 956274955 /nfs/dbraw/zinc/27/49/55/956274955.db2.gz ALXWMVUJUGNMOR-DLBZAZTESA-N -1 3 385.261 3.621 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001595795896 982599893 /nfs/dbraw/zinc/59/98/93/982599893.db2.gz DIVLOIHYUMGVHS-QGZVFWFLSA-N -1 3 382.391 3.828 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3[nH]ccc3c2F)c(C)c1[O-] ZINC001155420633 1032536453 /nfs/dbraw/zinc/53/64/53/1032536453.db2.gz RMMKTWBBISFLFH-UHFFFAOYSA-N -1 3 381.363 3.622 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](OC(C)C)c1ccccc1 ZINC000795293752 1021016004 /nfs/dbraw/zinc/01/60/04/1021016004.db2.gz CADHTZWTLRXOGC-HXUWFJFHSA-N -1 3 382.460 3.918 20 30 GHEDHM COc1ccccc1N1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000756774551 1023809898 /nfs/dbraw/zinc/80/98/98/1023809898.db2.gz JBPSVZGMPQJXOW-UWOKGBPVSA-N -1 3 375.266 3.861 20 30 GHEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141364410 1024728213 /nfs/dbraw/zinc/72/82/13/1024728213.db2.gz XUUCMHDWJNCVQF-OAQYLSRUSA-N -1 3 394.471 3.928 20 30 GHEDHM [O-]N=C(Nc1ccnc(-c2cncs2)n1)c1ccc(OC(F)(F)F)cc1 ZINC001163766143 1026308805 /nfs/dbraw/zinc/30/88/05/1026308805.db2.gz UVFAOWAHMIGRRS-UHFFFAOYSA-N -1 3 381.339 3.747 20 30 GHEDHM Cc1cc(Nc2ccc([O-])c(C#N)c2)c(I)cc1C#N ZINC001210534549 1027547635 /nfs/dbraw/zinc/54/76/35/1027547635.db2.gz MTCHDRJNBKIZRU-UHFFFAOYSA-N -1 3 375.169 3.792 20 30 GHEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)c1ccccc1 ZINC001211117881 1027795746 /nfs/dbraw/zinc/79/57/46/1027795746.db2.gz JXCQMVOBQAEJLN-MRXNPFEDSA-N -1 3 395.427 3.737 20 30 GHEDHM N#Cc1cnccc1[N-]c1nc2c(Br)cc(C(F)(F)F)cn2n1 ZINC001214011300 1028505312 /nfs/dbraw/zinc/50/53/12/1028505312.db2.gz PVPYEKXGFGUZKF-UHFFFAOYSA-N -1 3 383.131 3.521 20 30 GHEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142649888 1029207403 /nfs/dbraw/zinc/20/74/03/1029207403.db2.gz NRABZYZQOIKRQL-FQEVSTJZSA-N -1 3 376.884 3.571 20 30 GHEDHM C#CCNC(=O)c1ccccc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001142858397 1029595224 /nfs/dbraw/zinc/59/52/24/1029595224.db2.gz MGNDIOBUCOUTEH-UHFFFAOYSA-N -1 3 386.407 3.800 20 30 GHEDHM Cc1nc(-c2noc3ccc(C(=O)N([O-])C(=N)c4ccccc4N)cc32)cs1 ZINC001150302244 1030479983 /nfs/dbraw/zinc/47/99/83/1030479983.db2.gz HHIXMLLTAXHMTG-UHFFFAOYSA-N -1 3 393.428 3.699 20 30 GHEDHM N#Cc1c(F)ccc(NC(=O)c2cnc3ccc(C(F)(F)F)cc3c2[O-])c1F ZINC001150472309 1030537708 /nfs/dbraw/zinc/53/77/08/1030537708.db2.gz ZJEFRZLAAHXPBT-UHFFFAOYSA-N -1 3 393.271 3.949 20 30 GHEDHM C=CCCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC001153523676 1031633344 /nfs/dbraw/zinc/63/33/44/1031633344.db2.gz JVAITTSDXWRGPF-SFHVURJKSA-N -1 3 388.489 3.591 20 30 GHEDHM N#C[C@H](Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)CC2)c1cccc(F)c1 ZINC001226613589 1032044410 /nfs/dbraw/zinc/04/44/10/1032044410.db2.gz GZUQGXBHIFINQX-FQEVSTJZSA-N -1 3 390.418 3.523 20 30 GHEDHM C=CC[S@](=O)(=NC(=O)c1c[n-]cc2nc(C(F)(F)F)nc1-2)c1ccccc1 ZINC001158670621 1034224767 /nfs/dbraw/zinc/22/47/67/1034224767.db2.gz VQGDUQQITIHGSW-HHHXNRCGSA-N -1 3 394.378 3.830 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001159112254 1034430951 /nfs/dbraw/zinc/43/09/51/1034430951.db2.gz UOSGCDRVQZPGFS-GOSISDBHSA-N -1 3 393.487 3.538 20 30 GHEDHM CCC(C)(C)c1ccc(OCC(=O)N[C@H]2CCN([O-])C2=O)c(C(C)(C)CC)c1 ZINC001159325303 1034545449 /nfs/dbraw/zinc/54/54/49/1034545449.db2.gz ULBZCLCUVLYXAT-KRWDZBQOSA-N -1 3 390.524 3.547 20 30 GHEDHM N#Cc1c(Cl)nccc1C(F)(F)NCc1cc(Br)ccc1[O-] ZINC001160011528 1034827322 /nfs/dbraw/zinc/82/73/22/1034827322.db2.gz DYTYMANEOFJGAN-UHFFFAOYSA-N -1 3 388.599 3.914 20 30 GHEDHM N#Cc1cc(C(F)(F)NCc2cc(Br)ccc2[O-])cnc1Cl ZINC001160019779 1034832842 /nfs/dbraw/zinc/83/28/42/1034832842.db2.gz UWWDLLKQBPIFLT-UHFFFAOYSA-N -1 3 388.599 3.914 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(S(=O)(=O)OCC(C)(C)C)cc1 ZINC001242180953 1035855447 /nfs/dbraw/zinc/85/54/47/1035855447.db2.gz ZGTLECRWXHQDIX-UHFFFAOYSA-N -1 3 386.477 3.594 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(S(=O)(=O)OCC(C)(C)C)cc1 ZINC001242180953 1035855464 /nfs/dbraw/zinc/85/54/64/1035855464.db2.gz ZGTLECRWXHQDIX-UHFFFAOYSA-N -1 3 386.477 3.594 20 30 GHEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1(C)C ZINC001234513159 1040091273 /nfs/dbraw/zinc/09/12/73/1040091273.db2.gz JAEVFTHVIFSXCN-AWEZNQCLSA-N -1 3 398.463 3.764 20 30 GHEDHM C=CC(C=C)Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC ZINC001234757549 1040287687 /nfs/dbraw/zinc/28/76/87/1040287687.db2.gz LXVIKNCJIKLGCX-UHFFFAOYSA-N -1 3 384.384 3.797 20 30 GHEDHM C=CC(C=C)Oc1c(OC)cc2c(oc3cc(OC)cc([O-])c3c2=O)c1OC ZINC001234757549 1040287697 /nfs/dbraw/zinc/28/76/97/1040287697.db2.gz LXVIKNCJIKLGCX-UHFFFAOYSA-N -1 3 384.384 3.797 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F ZINC001255931239 1041421092 /nfs/dbraw/zinc/42/10/92/1041421092.db2.gz RGJNNICPXYPMGW-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001293874821 1044356515 /nfs/dbraw/zinc/35/65/15/1044356515.db2.gz LOAMGWHKBGIRMX-VOJFVSQTSA-N -1 3 393.365 3.629 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)C(F)(F)F)cc1 ZINC001258135836 1044421154 /nfs/dbraw/zinc/42/11/54/1044421154.db2.gz GXWSRCDCPYBENB-UHFFFAOYSA-N -1 3 388.754 3.757 20 30 GHEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC001259675840 1045264984 /nfs/dbraw/zinc/26/49/84/1045264984.db2.gz MZCLWTQZHNHREN-MRXNPFEDSA-N -1 3 397.500 3.733 20 30 GHEDHM COC[C@@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccc1C ZINC001317748177 1054245194 /nfs/dbraw/zinc/24/51/94/1054245194.db2.gz DSAPEQQLGOMRKC-OAHLLOKOSA-N -1 3 397.500 3.754 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H]4C[C@@H]4C3)n2C[C@@H]2CCOC2)c1[O-] ZINC001345281715 1054972024 /nfs/dbraw/zinc/97/20/24/1054972024.db2.gz ZKVCEVBYMBSNKC-YQVWRLOYSA-N -1 3 394.519 3.652 20 30 GHEDHM COc1ccc2c(c1)c(C(=O)N[C@H]1CCCN([O-])C1=O)c(C)n2C1CCCCC1 ZINC000848137149 1056740654 /nfs/dbraw/zinc/74/06/54/1056740654.db2.gz ZNCWBAOGLXPVSH-SFHVURJKSA-N -1 3 399.491 3.574 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H]3CCC[C@@H]3C#N)n2CCOC)c1[O-] ZINC001354942481 1056990957 /nfs/dbraw/zinc/99/09/57/1056990957.db2.gz AASOSAPUPHCMIJ-MJGOQNOKSA-N -1 3 395.507 3.544 20 30 GHEDHM CCCn1ncc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1C ZINC001356253209 1057448901 /nfs/dbraw/zinc/44/89/01/1057448901.db2.gz MEGGKTAXFGVICA-ZDUSSCGKSA-N -1 3 388.855 3.533 20 30 GHEDHM C[C@H]1CCc2nc([N-]C(=O)c3cnc(Br)s3)c(C#N)cc2C1 ZINC001338376124 1058534720 /nfs/dbraw/zinc/53/47/20/1058534720.db2.gz KKNKGWXCOZPDNE-QMMMGPOBSA-N -1 3 377.267 3.549 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC001339197511 1059006011 /nfs/dbraw/zinc/00/60/11/1059006011.db2.gz RBEFSYSJGVYUEF-CRAIPNDOSA-N -1 3 390.491 3.626 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](COCC)C1 ZINC001341951214 1060966294 /nfs/dbraw/zinc/96/62/94/1060966294.db2.gz JIYNKFZJTUYOFT-CQSZACIVSA-N -1 3 399.520 3.699 20 30 GHEDHM C=C1CN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 ZINC001453262418 1061097133 /nfs/dbraw/zinc/09/71/33/1061097133.db2.gz HABSQOLPXSCIJR-UHFFFAOYSA-N -1 3 384.501 3.733 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3cnccn3)n2CC2CC2)c1[O-] ZINC001347902771 1062766957 /nfs/dbraw/zinc/76/69/57/1062766957.db2.gz AQKPUWMXOPHJDS-UHFFFAOYSA-N -1 3 390.491 3.606 20 30 GHEDHM Cc1sc([N-]C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)c(C#N)c1C ZINC001348959125 1063445261 /nfs/dbraw/zinc/44/52/61/1063445261.db2.gz VMXAIEHICDDFFV-UHFFFAOYSA-N -1 3 392.506 3.970 20 30 GHEDHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457997232 1063495783 /nfs/dbraw/zinc/49/57/83/1063495783.db2.gz SOALLGHSEYTJFQ-CYBMUJFWSA-N -1 3 395.286 3.849 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N([O-])Cc1cccc2ccccc21 ZINC001458015602 1063507032 /nfs/dbraw/zinc/50/70/32/1063507032.db2.gz GDPWCGFVRVVMNC-KRWDZBQOSA-N -1 3 378.403 3.750 20 30 GHEDHM N#Cc1c2c(sc1[N-]C(=O)c1cnc(C3OCCO3)s1)CCCCC2 ZINC001349781740 1063911092 /nfs/dbraw/zinc/91/10/92/1063911092.db2.gz SKDADMPGZGTSSH-UHFFFAOYSA-N -1 3 375.475 3.643 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001351452475 1064454138 /nfs/dbraw/zinc/45/41/38/1064454138.db2.gz GOEQOSSWBYBKLB-KRWDZBQOSA-N -1 3 389.431 3.682 20 30 GHEDHM Cn1c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccc1-c1ccc(F)cc1 ZINC001357569265 1067166636 /nfs/dbraw/zinc/16/66/36/1067166636.db2.gz XVAWEZKXSUQHMZ-MRXNPFEDSA-N -1 3 385.402 3.847 20 30 GHEDHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1cccc2ccccc21 ZINC001471896332 1073249354 /nfs/dbraw/zinc/24/93/54/1073249354.db2.gz GSWDSLAINQBVQK-IBGZPJMESA-N -1 3 394.377 3.834 20 30 GHEDHM O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N([O-])Cc1ccccc1Cl ZINC001472618937 1073579661 /nfs/dbraw/zinc/57/96/61/1073579661.db2.gz PDVFIXOKHWQTKB-UHFFFAOYSA-N -1 3 389.839 3.883 20 30 GHEDHM O=C(c1cnn(-c2ccccc2)c1Br)N([O-])Cc1ccc(F)cc1 ZINC001472622551 1073581539 /nfs/dbraw/zinc/58/15/39/1073581539.db2.gz MLAMMRKBOLNLAX-UHFFFAOYSA-N -1 3 390.212 3.806 20 30 GHEDHM N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737687735 598851245 /nfs/dbraw/zinc/85/12/45/598851245.db2.gz LKGPDFIAOCNIFJ-UHFFFAOYSA-N -1 3 397.826 3.847 20 30 GHEDHM N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737687735 598851246 /nfs/dbraw/zinc/85/12/46/598851246.db2.gz LKGPDFIAOCNIFJ-UHFFFAOYSA-N -1 3 397.826 3.847 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(Cl)c1OC ZINC000821786674 599113420 /nfs/dbraw/zinc/11/34/20/599113420.db2.gz HLRBPJJWUFWNDB-RAXLEYEMSA-N -1 3 396.834 3.750 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(Cl)c1OC ZINC000821786674 599113422 /nfs/dbraw/zinc/11/34/22/599113422.db2.gz HLRBPJJWUFWNDB-RAXLEYEMSA-N -1 3 396.834 3.750 20 30 GHEDHM COc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737080503 599125608 /nfs/dbraw/zinc/12/56/08/599125608.db2.gz BVUMTKWRVMOVTR-UHFFFAOYSA-N -1 3 384.443 3.916 20 30 GHEDHM COc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737080503 599125610 /nfs/dbraw/zinc/12/56/10/599125610.db2.gz BVUMTKWRVMOVTR-UHFFFAOYSA-N -1 3 384.443 3.916 20 30 GHEDHM COc1ccc(C=C2CCc3cc(SC)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000737081012 599155115 /nfs/dbraw/zinc/15/51/15/599155115.db2.gz AOWGHAYRIPINGV-NTEUORMPSA-N -1 3 378.457 3.810 20 30 GHEDHM COc1ccc(C=C2CCc3cc(SC)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081012 599155118 /nfs/dbraw/zinc/15/51/18/599155118.db2.gz AOWGHAYRIPINGV-NTEUORMPSA-N -1 3 378.457 3.810 20 30 GHEDHM COc1ccc(C=C2CCOc3cc(C)c(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737083432 599155811 /nfs/dbraw/zinc/15/58/11/599155811.db2.gz ODYWCBGCGAVQSA-XNTDXEJSSA-N -1 3 376.416 3.541 20 30 GHEDHM COc1ccc(C=C2CCOc3cc(C)c(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737083432 599155815 /nfs/dbraw/zinc/15/58/15/599155815.db2.gz ODYWCBGCGAVQSA-XNTDXEJSSA-N -1 3 376.416 3.541 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C)cc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737330258 599158156 /nfs/dbraw/zinc/15/81/56/599158156.db2.gz PXZOQRNJVRSIBF-DHZHZOJOSA-N -1 3 384.443 3.874 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000737718346 599195998 /nfs/dbraw/zinc/19/59/98/599195998.db2.gz IAABJSTVXKUVIU-UHFFFAOYSA-N -1 3 388.431 3.702 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000737718346 599195999 /nfs/dbraw/zinc/19/59/99/599195999.db2.gz IAABJSTVXKUVIU-UHFFFAOYSA-N -1 3 388.431 3.702 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)Cc1ccccc1 ZINC000735419016 599247732 /nfs/dbraw/zinc/24/77/32/599247732.db2.gz OPPICBGFVLXTOQ-UHFFFAOYSA-N -1 3 375.476 3.650 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)Cc1ccccc1 ZINC000735419016 599247734 /nfs/dbraw/zinc/24/77/34/599247734.db2.gz OPPICBGFVLXTOQ-UHFFFAOYSA-N -1 3 375.476 3.650 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819722541 599273564 /nfs/dbraw/zinc/27/35/64/599273564.db2.gz MIRLYORFMNKPOL-CQSZACIVSA-N -1 3 378.436 3.704 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819722541 599273568 /nfs/dbraw/zinc/27/35/68/599273568.db2.gz MIRLYORFMNKPOL-CQSZACIVSA-N -1 3 378.436 3.704 20 30 GHEDHM COc1ccccc1C(C)=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737142867 598316168 /nfs/dbraw/zinc/31/61/68/598316168.db2.gz QNTMGXWMYKWOSL-UHFFFAOYSA-N -1 3 376.342 3.730 20 30 GHEDHM COc1ccccc1C(C)=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737142867 598316170 /nfs/dbraw/zinc/31/61/70/598316170.db2.gz QNTMGXWMYKWOSL-UHFFFAOYSA-N -1 3 376.342 3.730 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000737676104 598383485 /nfs/dbraw/zinc/38/34/85/598383485.db2.gz UURPUFDZPFTPQI-XVJNWHFHSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000737676104 598383487 /nfs/dbraw/zinc/38/34/87/598383487.db2.gz UURPUFDZPFTPQI-XVJNWHFHSA-N -1 3 399.241 3.568 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000735421054 598493270 /nfs/dbraw/zinc/49/32/70/598493270.db2.gz XBDCDXZSTYBONH-IBGZPJMESA-N -1 3 387.487 3.892 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000735421054 598493271 /nfs/dbraw/zinc/49/32/71/598493271.db2.gz XBDCDXZSTYBONH-IBGZPJMESA-N -1 3 387.487 3.892 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735504723 598503116 /nfs/dbraw/zinc/50/31/16/598503116.db2.gz NVUZZEGNZJFOFC-OAHLLOKOSA-N -1 3 394.504 3.999 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737731025 598544188 /nfs/dbraw/zinc/54/41/88/598544188.db2.gz VWDHZNJIOPNZHP-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737731025 598544189 /nfs/dbraw/zinc/54/41/89/598544189.db2.gz VWDHZNJIOPNZHP-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCCCOc2cccc(C#N)c2)s1 ZINC000736679432 598654666 /nfs/dbraw/zinc/65/46/66/598654666.db2.gz TWCKCOHMQARFRJ-UHFFFAOYSA-N -1 3 396.476 3.550 20 30 GHEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCCCOc2cccc(C#N)c2)s1 ZINC000736679432 598654668 /nfs/dbraw/zinc/65/46/68/598654668.db2.gz TWCKCOHMQARFRJ-UHFFFAOYSA-N -1 3 396.476 3.550 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1ccccc1OC ZINC000735418144 598655975 /nfs/dbraw/zinc/65/59/75/598655975.db2.gz BZUWZIVXYOGHEU-INIZCTEOSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1ccccc1OC ZINC000735418144 598655977 /nfs/dbraw/zinc/65/59/77/598655977.db2.gz BZUWZIVXYOGHEU-INIZCTEOSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1csc(-c2ccccn2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426756 598727190 /nfs/dbraw/zinc/72/71/90/598727190.db2.gz VUXPXPVGJJEXNH-UHFFFAOYSA-N -1 3 389.488 3.573 20 30 GHEDHM C=CCN(Cc1csc(-c2ccccn2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426756 598727191 /nfs/dbraw/zinc/72/71/91/598727191.db2.gz VUXPXPVGJJEXNH-UHFFFAOYSA-N -1 3 389.488 3.573 20 30 GHEDHM C[C@@H](SCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736187380 599332424 /nfs/dbraw/zinc/33/24/24/599332424.db2.gz AAEMDANZMMQTBX-LLVKDONJSA-N -1 3 398.879 3.825 20 30 GHEDHM C[C@@H](SCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736187380 599332427 /nfs/dbraw/zinc/33/24/27/599332427.db2.gz AAEMDANZMMQTBX-LLVKDONJSA-N -1 3 398.879 3.825 20 30 GHEDHM Fc1ccc(N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778469 599491635 /nfs/dbraw/zinc/49/16/35/599491635.db2.gz IIKIDEGWWWCZKL-OCAPTIKFSA-N -1 3 383.271 3.573 20 30 GHEDHM Fc1ccc(N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778469 599491636 /nfs/dbraw/zinc/49/16/36/599491636.db2.gz IIKIDEGWWWCZKL-OCAPTIKFSA-N -1 3 383.271 3.573 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000735391347 599560919 /nfs/dbraw/zinc/56/09/19/599560919.db2.gz QKPFKBOBYUWIQV-UHFFFAOYSA-N -1 3 380.411 3.844 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764567 599630907 /nfs/dbraw/zinc/63/09/07/599630907.db2.gz JWADJMFTVOIPLF-XFFZJAGNSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764567 599630908 /nfs/dbraw/zinc/63/09/08/599630908.db2.gz JWADJMFTVOIPLF-XFFZJAGNSA-N -1 3 398.348 3.799 20 30 GHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504767 607458904 /nfs/dbraw/zinc/45/89/04/607458904.db2.gz ULIUXIJGOSFBDP-XFFZJAGNSA-N -1 3 377.354 3.839 20 30 GHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504767 607458905 /nfs/dbraw/zinc/45/89/05/607458905.db2.gz ULIUXIJGOSFBDP-XFFZJAGNSA-N -1 3 377.354 3.839 20 30 GHEDHM C[C@](NCc1ccc(F)c(C#N)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000827740975 602236919 /nfs/dbraw/zinc/23/69/19/602236919.db2.gz GPEDMDQZIIQDQP-QGZVFWFLSA-N -1 3 377.213 3.549 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823505142 606389654 /nfs/dbraw/zinc/38/96/54/606389654.db2.gz XVCNIZYAARGHIW-LSCZQMSZSA-N -1 3 379.401 3.666 20 30 GHEDHM CCC(CC)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820892956 606502058 /nfs/dbraw/zinc/50/20/58/606502058.db2.gz HJXWAMFVOXQCNK-UHFFFAOYSA-N -1 3 378.427 3.620 20 30 GHEDHM CCC(CC)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820892956 606502059 /nfs/dbraw/zinc/50/20/59/606502059.db2.gz HJXWAMFVOXQCNK-UHFFFAOYSA-N -1 3 378.427 3.620 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccccn3)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503290 606600436 /nfs/dbraw/zinc/60/04/36/606600436.db2.gz CQTDBFVVZGFPAE-RAXLEYEMSA-N -1 3 386.440 3.598 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccccn3)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503290 606600438 /nfs/dbraw/zinc/60/04/38/606600438.db2.gz CQTDBFVVZGFPAE-RAXLEYEMSA-N -1 3 386.440 3.598 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCCCCC#N)cc1 ZINC000822143223 606830405 /nfs/dbraw/zinc/83/04/05/606830405.db2.gz AGQLZYJSDUEZPY-UHFFFAOYSA-N -1 3 377.404 3.818 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCCCCC#N)cc1 ZINC000822143223 606830407 /nfs/dbraw/zinc/83/04/07/606830407.db2.gz AGQLZYJSDUEZPY-UHFFFAOYSA-N -1 3 377.404 3.818 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000819746029 607010204 /nfs/dbraw/zinc/01/02/04/607010204.db2.gz YKJWRZJMIBSBIF-UHFFFAOYSA-N -1 3 386.459 3.793 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000819746029 607010205 /nfs/dbraw/zinc/01/02/05/607010205.db2.gz YKJWRZJMIBSBIF-UHFFFAOYSA-N -1 3 386.459 3.793 20 30 GHEDHM Fc1ccc(-c2nn[n-]n2)c(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000822758418 607061341 /nfs/dbraw/zinc/06/13/41/607061341.db2.gz OLFHXFKYZJZQIH-AOOOYVTPSA-N -1 3 397.298 3.569 20 30 GHEDHM C=C(C)[C@H](CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)OCC ZINC000823874005 607903753 /nfs/dbraw/zinc/90/37/53/607903753.db2.gz QXRBJUUFUZPCCR-INIZCTEOSA-N -1 3 397.504 3.583 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000823882639 607980676 /nfs/dbraw/zinc/98/06/76/607980676.db2.gz ASFPMKWYAJCAQH-LBPRGKRZSA-N -1 3 385.374 3.767 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000823882639 607980677 /nfs/dbraw/zinc/98/06/77/607980677.db2.gz ASFPMKWYAJCAQH-LBPRGKRZSA-N -1 3 385.374 3.767 20 30 GHEDHM N#Cc1cc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc1-c1nnn[n-]1 ZINC000826384339 608064778 /nfs/dbraw/zinc/06/47/78/608064778.db2.gz RFIWPLWNGGNWTI-UHFFFAOYSA-N -1 3 393.621 3.951 20 30 GHEDHM N#Cc1cc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc1-c1nn[n-]n1 ZINC000826384339 608064779 /nfs/dbraw/zinc/06/47/79/608064779.db2.gz RFIWPLWNGGNWTI-UHFFFAOYSA-N -1 3 393.621 3.951 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(SC)c1 ZINC000823914132 608268247 /nfs/dbraw/zinc/26/82/47/608268247.db2.gz AYLMXGZDCUYOEK-UHFFFAOYSA-N -1 3 383.452 3.556 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(SC)c1 ZINC000823914132 608268248 /nfs/dbraw/zinc/26/82/48/608268248.db2.gz AYLMXGZDCUYOEK-UHFFFAOYSA-N -1 3 383.452 3.556 20 30 GHEDHM C=C(C)[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)OCC ZINC000823872551 608328673 /nfs/dbraw/zinc/32/86/73/608328673.db2.gz AWPSZAYAJRNQAH-HXUWFJFHSA-N -1 3 391.475 3.521 20 30 GHEDHM C=C(C)[C@@H](CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)OCC ZINC000823872551 608328674 /nfs/dbraw/zinc/32/86/74/608328674.db2.gz AWPSZAYAJRNQAH-HXUWFJFHSA-N -1 3 391.475 3.521 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)nn1C(CC)CC ZINC000823914964 608582032 /nfs/dbraw/zinc/58/20/32/608582032.db2.gz QANKNFNEADKITK-UHFFFAOYSA-N -1 3 393.495 3.561 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)nn1C(CC)CC ZINC000823914964 608582034 /nfs/dbraw/zinc/58/20/34/608582034.db2.gz QANKNFNEADKITK-UHFFFAOYSA-N -1 3 393.495 3.561 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1sccc1Br ZINC000826400507 608878099 /nfs/dbraw/zinc/87/80/99/608878099.db2.gz AOJGBJUNUVJZCF-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1sccc1Br ZINC000826400507 608878101 /nfs/dbraw/zinc/87/81/01/608878101.db2.gz AOJGBJUNUVJZCF-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM CC(N=Nc1ncnc2c3ccccc3oc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962645 609159956 /nfs/dbraw/zinc/15/99/56/609159956.db2.gz OBXKKUQUMFSOCN-UHFFFAOYSA-N -1 3 388.366 3.531 20 30 GHEDHM CC(N=Nc1ncnc2c3ccccc3oc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962645 609159958 /nfs/dbraw/zinc/15/99/58/609159958.db2.gz OBXKKUQUMFSOCN-UHFFFAOYSA-N -1 3 388.366 3.531 20 30 GHEDHM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400132 609270759 /nfs/dbraw/zinc/27/07/59/609270759.db2.gz QFCQSNCQTZTHMO-GORDUTHDSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400132 609270761 /nfs/dbraw/zinc/27/07/61/609270761.db2.gz QFCQSNCQTZTHMO-GORDUTHDSA-N -1 3 379.214 3.726 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824114355 609307054 /nfs/dbraw/zinc/30/70/54/609307054.db2.gz PNSYHJBSCGVKNV-KPKJPENVSA-N -1 3 376.416 3.718 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824114355 609307056 /nfs/dbraw/zinc/30/70/56/609307056.db2.gz PNSYHJBSCGVKNV-KPKJPENVSA-N -1 3 376.416 3.718 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C)c2OC(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826297594 609309506 /nfs/dbraw/zinc/30/95/06/609309506.db2.gz MHIOEVLRJXUSCP-CMDGGOBGSA-N -1 3 399.401 3.729 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C)c2OC(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826297594 609309508 /nfs/dbraw/zinc/30/95/08/609309508.db2.gz MHIOEVLRJXUSCP-CMDGGOBGSA-N -1 3 399.401 3.729 20 30 GHEDHM Clc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826352299 609326655 /nfs/dbraw/zinc/32/66/55/609326655.db2.gz WJBKDWPAUBAPAA-UHFFFAOYSA-N -1 3 392.644 3.833 20 30 GHEDHM Clc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826352299 609326657 /nfs/dbraw/zinc/32/66/57/609326657.db2.gz WJBKDWPAUBAPAA-UHFFFAOYSA-N -1 3 392.644 3.833 20 30 GHEDHM COc1cc(Br)ccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826176750 609368958 /nfs/dbraw/zinc/36/89/58/609368958.db2.gz BTMOZHONPRPDNI-SOFGYWHQSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1cc(Br)ccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826176750 609368961 /nfs/dbraw/zinc/36/89/61/609368961.db2.gz BTMOZHONPRPDNI-SOFGYWHQSA-N -1 3 385.221 3.534 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ncc(Br)s1 ZINC000823958834 609470975 /nfs/dbraw/zinc/47/09/75/609470975.db2.gz YNATZDSUYXISBQ-UHFFFAOYSA-N -1 3 398.677 3.575 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ncc(Br)s1 ZINC000823958834 609470977 /nfs/dbraw/zinc/47/09/77/609470977.db2.gz YNATZDSUYXISBQ-UHFFFAOYSA-N -1 3 398.677 3.575 20 30 GHEDHM N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000128232245 834719123 /nfs/dbraw/zinc/71/91/23/834719123.db2.gz VXAIDVMHWHMVPH-UHFFFAOYSA-N -1 3 396.378 3.506 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)c(F)c2)cc1 ZINC000161955404 835299398 /nfs/dbraw/zinc/29/93/98/835299398.db2.gz CVLXWVROPXOKNE-CQSZACIVSA-N -1 3 388.782 3.617 20 30 GHEDHM N#CC(=C([O-])c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccncn1 ZINC000544816107 844220287 /nfs/dbraw/zinc/22/02/87/844220287.db2.gz WMIFVUZHJZBDTP-LBPRGKRZSA-N -1 3 382.832 3.934 20 30 GHEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)O[C@H](C)C#N)ccc2C)c(C)c1 ZINC000023417327 837010898 /nfs/dbraw/zinc/01/08/98/837010898.db2.gz AAGYZNQESSSTCB-MRXNPFEDSA-N -1 3 386.473 3.790 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)cc1[N+](=O)[O-] ZINC000128422811 838466315 /nfs/dbraw/zinc/46/63/15/838466315.db2.gz IYYQQHHRVIUZGO-MRXNPFEDSA-N -1 3 381.388 3.517 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3nc(-c4cccc(C#N)c4)c[nH]3)nc2)n1 ZINC000378471192 839176776 /nfs/dbraw/zinc/17/67/76/839176776.db2.gz KXERZKWZVHDOPB-UHFFFAOYSA-N -1 3 397.442 3.680 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1CCC(F)(F)F ZINC000156324761 841900047 /nfs/dbraw/zinc/90/00/47/841900047.db2.gz FGFJVBJEIYNSFH-UHFFFAOYSA-N -1 3 391.393 3.930 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CSCc2ccco2)cc1 ZINC000759833553 841915895 /nfs/dbraw/zinc/91/58/95/841915895.db2.gz IZZPWLGUZHTKHM-CCCPALQASA-N -1 3 398.440 3.551 20 30 GHEDHM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000425090536 842389049 /nfs/dbraw/zinc/38/90/49/842389049.db2.gz UVHBOCPJZGWNPJ-LLVKDONJSA-N -1 3 392.333 3.694 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ncc(-c2ccccc2)o1 ZINC000120427431 843163519 /nfs/dbraw/zinc/16/35/19/843163519.db2.gz WPQPJBGBECHGHA-GFCCVEGCSA-N -1 3 387.848 3.906 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000179423351 861574590 /nfs/dbraw/zinc/57/45/90/861574590.db2.gz AABDIALDBNCPTK-UHFFFAOYSA-N -1 3 391.427 3.769 20 30 GHEDHM Cc1ccccc1C[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000513578402 845681988 /nfs/dbraw/zinc/68/19/88/845681988.db2.gz CPOQQQSLVIFSIP-LJQANCHMSA-N -1 3 377.488 3.750 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(Cl)c1 ZINC000183086769 846278302 /nfs/dbraw/zinc/27/83/02/846278302.db2.gz PVFKFQRKIKCFHT-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000421621495 846386332 /nfs/dbraw/zinc/38/63/32/846386332.db2.gz VQBYFNKCWJCTRZ-HSZRJFAPSA-N -1 3 395.478 3.971 20 30 GHEDHM COc1ccc(Cl)c2c1N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000263932922 846821269 /nfs/dbraw/zinc/82/12/69/846821269.db2.gz HWOLVKDXKANSEO-UHFFFAOYSA-N -1 3 399.878 3.850 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000366726887 847525009 /nfs/dbraw/zinc/52/50/09/847525009.db2.gz ZLCZEUBFWNAXSI-CZIWCDLHSA-N -1 3 385.414 3.549 20 30 GHEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178626926 847929842 /nfs/dbraw/zinc/92/98/42/847929842.db2.gz VBFQYHYVMNXGHJ-UHFFFAOYSA-N -1 3 391.269 3.905 20 30 GHEDHM N#Cc1ccc(CSCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176433208 849170545 /nfs/dbraw/zinc/17/05/45/849170545.db2.gz MKNNGLMKNXYPAH-UHFFFAOYSA-N -1 3 377.263 3.898 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(Cl)cccc1Cl ZINC000514533506 849978766 /nfs/dbraw/zinc/97/87/66/849978766.db2.gz KNHNQYDHPSDTDG-UHFFFAOYSA-N -1 3 378.259 3.832 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486838876 850163305 /nfs/dbraw/zinc/16/33/05/850163305.db2.gz IRPQJPOHBYXHPS-ZETCQYMHSA-N -1 3 395.815 3.726 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000489844327 852604326 /nfs/dbraw/zinc/60/43/26/852604326.db2.gz LIPKWKCBOUTORA-OAHLLOKOSA-N -1 3 385.349 3.539 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473858278 852920862 /nfs/dbraw/zinc/92/08/62/852920862.db2.gz VBDDWJRFKUMSBM-OAHLLOKOSA-N -1 3 381.354 3.519 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1F ZINC000427302465 852954966 /nfs/dbraw/zinc/95/49/66/852954966.db2.gz QHYLEMKPDIFLHB-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1ccc(F)c(C[N-]C(=O)C(F)(F)c2ccccc2Br)c1 ZINC001126462764 853009410 /nfs/dbraw/zinc/00/94/10/853009410.db2.gz YUZQPBWEGYJUAB-UHFFFAOYSA-N -1 3 383.167 3.868 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000055524755 855337745 /nfs/dbraw/zinc/33/77/45/855337745.db2.gz JPMCAAFAYXYZAD-KRWDZBQOSA-N -1 3 397.906 3.683 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000015537276 856756895 /nfs/dbraw/zinc/75/68/95/856756895.db2.gz IWINSEQBWGLEQD-HXUWFJFHSA-N -1 3 383.879 3.717 20 30 GHEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000129785184 857570026 /nfs/dbraw/zinc/57/00/26/857570026.db2.gz XNLFEJFOKBGMEI-LBPRGKRZSA-N -1 3 379.247 3.906 20 30 GHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3coc(S(C)(=O)=O)c3)c(C#N)c2[C@H]1C ZINC000593165951 858858035 /nfs/dbraw/zinc/85/80/35/858858035.db2.gz IIPGDKGKKKCOGA-ZJUUUORDSA-N -1 3 378.475 3.554 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000129867001 858999908 /nfs/dbraw/zinc/99/99/08/858999908.db2.gz KTXXVLLXQPKAAO-CQSZACIVSA-N -1 3 395.415 3.862 20 30 GHEDHM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nccc2ccccc21 ZINC000483197125 859207711 /nfs/dbraw/zinc/20/77/11/859207711.db2.gz OUKFPNGZDOJYJK-LJQANCHMSA-N -1 3 383.367 3.819 20 30 GHEDHM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000483228056 859240536 /nfs/dbraw/zinc/24/05/36/859240536.db2.gz CCIOQABEOYZSLB-HXUWFJFHSA-N -1 3 386.411 3.642 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000593300033 859343809 /nfs/dbraw/zinc/34/38/09/859343809.db2.gz LVVKJWWEIUMLQT-GOSISDBHSA-N -1 3 397.450 3.766 20 30 GHEDHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000764305728 859368445 /nfs/dbraw/zinc/36/84/45/859368445.db2.gz GFZGNXIFELQCLL-QMMMGPOBSA-N -1 3 380.813 3.845 20 30 GHEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603046121 860456696 /nfs/dbraw/zinc/45/66/96/860456696.db2.gz XCAVYYCQMVPGAF-SNVBAGLBSA-N -1 3 385.777 3.617 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000733678694 863106891 /nfs/dbraw/zinc/10/68/91/863106891.db2.gz GFZUHEYODSXGQD-QGZVFWFLSA-N -1 3 387.395 3.844 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000127068757 863195585 /nfs/dbraw/zinc/19/55/85/863195585.db2.gz SDTMWUKXDZYRMG-MRXNPFEDSA-N -1 3 395.415 3.862 20 30 GHEDHM C[C@H](Sc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736193863 865152560 /nfs/dbraw/zinc/15/25/60/865152560.db2.gz UUVIZXFVOWBALH-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736193863 865152565 /nfs/dbraw/zinc/15/25/65/865152565.db2.gz UUVIZXFVOWBALH-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000555072352 865455590 /nfs/dbraw/zinc/45/55/90/865455590.db2.gz MYVGLDJDTCTDKP-CQSZACIVSA-N -1 3 375.881 3.727 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 ZINC000740128729 865857914 /nfs/dbraw/zinc/85/79/14/865857914.db2.gz TVTUOFRPQPZSPQ-UHFFFAOYSA-N -1 3 391.452 3.881 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(Cl)c1Br ZINC000793121543 881929616 /nfs/dbraw/zinc/92/96/16/881929616.db2.gz DCHUPZMJCJNTHR-NSHDSACASA-N -1 3 392.640 3.767 20 30 GHEDHM O=C1C[C@H](C/N=C/c2cc(Br)ccc2[O-])CN1Cc1ccccc1 ZINC000179366331 866224179 /nfs/dbraw/zinc/22/41/79/866224179.db2.gz AEQQUMRYCWOGJN-UGVMZYNRSA-N -1 3 387.277 3.622 20 30 GHEDHM Fc1ccc2oc(C=Nn3c(=S)[n-]nc3[C@@H]3COc4ccccc4O3)cc2c1 ZINC000741759753 866767741 /nfs/dbraw/zinc/76/77/41/866767741.db2.gz XNPQNRHBRHXVQS-KRWDZBQOSA-N -1 3 396.403 3.847 20 30 GHEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nc2cc(Cl)ccc2c1=O ZINC000155848366 868142915 /nfs/dbraw/zinc/14/29/15/868142915.db2.gz VTVOZTBHMUMWFC-LLVKDONJSA-N -1 3 388.880 3.893 20 30 GHEDHM C=C(C)CCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000508624174 882181296 /nfs/dbraw/zinc/18/12/96/882181296.db2.gz DJOIXTUVXSVLDZ-UHFFFAOYSA-N -1 3 376.413 3.513 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000156880049 868489015 /nfs/dbraw/zinc/48/90/15/868489015.db2.gz MMHBMFCZUNPELX-HNNXBMFYSA-N -1 3 388.489 3.755 20 30 GHEDHM Cc1ccccc1-c1cnc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000744589219 868941379 /nfs/dbraw/zinc/94/13/79/868941379.db2.gz AIVFXUAEBZWROK-UHFFFAOYSA-N -1 3 391.427 3.915 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000745201881 869371346 /nfs/dbraw/zinc/37/13/46/869371346.db2.gz YJCYTBVIBMQEQD-UHFFFAOYSA-N -1 3 379.485 3.635 20 30 GHEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(Cl)c1 ZINC001193352730 871040586 /nfs/dbraw/zinc/04/05/86/871040586.db2.gz JLXYPPJLLDBRLW-UHFFFAOYSA-N -1 3 384.244 3.624 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2Cl)c1 ZINC001193688156 871236624 /nfs/dbraw/zinc/23/66/24/871236624.db2.gz UZFBERFDIPYQAT-UHFFFAOYSA-N -1 3 375.208 3.814 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3csc(-c4cnccn4)n3)sc2C1 ZINC000609115853 871666157 /nfs/dbraw/zinc/66/61/57/871666157.db2.gz MERGKIWYYIFBGI-SNVBAGLBSA-N -1 3 381.486 3.910 20 30 GHEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000618822586 872008715 /nfs/dbraw/zinc/00/87/15/872008715.db2.gz GHZIEPRVMGZWRK-MRXNPFEDSA-N -1 3 386.249 3.513 20 30 GHEDHM C#C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C1CC1 ZINC000767504888 872576385 /nfs/dbraw/zinc/57/63/85/872576385.db2.gz RVAVLWRDNLRSSZ-LJQANCHMSA-N -1 3 387.432 3.504 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)nc1C ZINC000102595851 873297583 /nfs/dbraw/zinc/29/75/83/873297583.db2.gz AREFPXVLVKZXGR-QGZVFWFLSA-N -1 3 388.427 3.541 20 30 GHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC001196691443 873329508 /nfs/dbraw/zinc/32/95/08/873329508.db2.gz NUWDZEZCTVXPOB-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM C#C[C@@H](C)N(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000769646701 874211482 /nfs/dbraw/zinc/21/14/82/874211482.db2.gz ZCXFBAWDAZDRLL-GOSISDBHSA-N -1 3 398.528 3.815 20 30 GHEDHM COc1ccc2cc(CN=Nc3nc4c(cnn4C(C)(C)C)c(=O)[n-]3)ccc2c1 ZINC000769812413 874303271 /nfs/dbraw/zinc/30/32/71/874303271.db2.gz OIHYOXSCQHFRER-UHFFFAOYSA-N -1 3 390.447 3.895 20 30 GHEDHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000775934689 874794216 /nfs/dbraw/zinc/79/42/16/874794216.db2.gz CELOZUDZGBWPHA-VIFPVBQESA-N -1 3 390.848 3.651 20 30 GHEDHM CCCC[C@H](CC)COCc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC001199217120 874856706 /nfs/dbraw/zinc/85/67/06/874856706.db2.gz LLOUMMQEHHJIJK-LPHOPBHVSA-N -1 3 391.512 3.921 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(NC(C)=O)c2)cc1 ZINC000528920133 875272244 /nfs/dbraw/zinc/27/22/44/875272244.db2.gz RDYCBDXEUVXGSI-UGSOOPFHSA-N -1 3 378.432 3.515 20 30 GHEDHM CCOc1cc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000550960988 882920645 /nfs/dbraw/zinc/92/06/45/882920645.db2.gz UXAFKDINYVESOA-IBGZPJMESA-N -1 3 385.895 3.827 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000776273584 876135948 /nfs/dbraw/zinc/13/59/48/876135948.db2.gz IYBADNWIKZIZNA-VIFPVBQESA-N -1 3 379.199 3.755 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1cccc(C(F)(F)F)c1 ZINC000068040088 877796447 /nfs/dbraw/zinc/79/64/47/877796447.db2.gz JODSCRXNXJWMNA-UHFFFAOYSA-N -1 3 392.377 3.601 20 30 GHEDHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000788204466 877911679 /nfs/dbraw/zinc/91/16/79/877911679.db2.gz GEXVLMINCDANBA-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM N#C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1Br ZINC000615762826 878093451 /nfs/dbraw/zinc/09/34/51/878093451.db2.gz AXALZNCYOOWSGS-INIZCTEOSA-N -1 3 391.240 3.998 20 30 GHEDHM COc1ccc(-c2cnc(CCC(=O)Nc3nnc(C(F)(F)F)[n-]3)o2)cc1 ZINC000069257516 879998416 /nfs/dbraw/zinc/99/84/16/879998416.db2.gz JFZQRNDQYNLMGQ-UHFFFAOYSA-N -1 3 381.314 3.708 20 30 GHEDHM COc1ccc(-c2cnc(CCC(=O)Nc3nc(C(F)(F)F)n[n-]3)o2)cc1 ZINC000069257516 879998424 /nfs/dbraw/zinc/99/84/24/879998424.db2.gz JFZQRNDQYNLMGQ-UHFFFAOYSA-N -1 3 381.314 3.708 20 30 GHEDHM COc1ccccc1-c1cc(=NC(=O)CCCCOc2cccc(C#N)c2)[nH][n-]1 ZINC000609548888 883360970 /nfs/dbraw/zinc/36/09/70/883360970.db2.gz HFALSNCDTUJAGU-UHFFFAOYSA-N -1 3 390.443 3.567 20 30 GHEDHM Cc1nsc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1C#N ZINC000286508923 912783208 /nfs/dbraw/zinc/78/32/08/912783208.db2.gz WMXRZNAHHQGMCZ-UHFFFAOYSA-N -1 3 376.869 3.537 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(OCc3cccc(F)c3)cc2)c1[O-] ZINC000914557147 884148384 /nfs/dbraw/zinc/14/83/84/884148384.db2.gz NBVLDJYCAFTYLV-MSXFZWOLSA-N -1 3 380.419 3.925 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnc2c(F)cccc2c1 ZINC000806085061 884331795 /nfs/dbraw/zinc/33/17/95/884331795.db2.gz CPMLGZORDSFDBL-UHFFFAOYSA-N -1 3 379.391 3.639 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1nc(-c2cccs2)no1 ZINC000914623950 884372441 /nfs/dbraw/zinc/37/24/41/884372441.db2.gz UCAIKHSUAPQWSG-GFCCVEGCSA-N -1 3 398.444 3.624 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000914700127 884543025 /nfs/dbraw/zinc/54/30/25/884543025.db2.gz SPCFSYNESOKYRL-UHFFFAOYSA-N -1 3 376.331 3.661 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000860472284 884712472 /nfs/dbraw/zinc/71/24/72/884712472.db2.gz GYFOTAXLJZZZFB-LLQVLPNTSA-N -1 3 396.487 3.969 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2nccc3ccccc32)no1 ZINC000350846288 885171833 /nfs/dbraw/zinc/17/18/33/885171833.db2.gz AMWNEYROPKKSHD-UHFFFAOYSA-N -1 3 385.427 3.583 20 30 GHEDHM O=C1Nc2cccc(Br)c2C1=N[N-]c1ncccc1C(F)(F)F ZINC000915050331 885554561 /nfs/dbraw/zinc/55/45/61/885554561.db2.gz KKBWHYKECNVDSE-UHFFFAOYSA-N -1 3 385.143 3.631 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000193447453 886220158 /nfs/dbraw/zinc/22/01/58/886220158.db2.gz RKYQFJYNQOOTBT-OAHLLOKOSA-N -1 3 383.429 3.840 20 30 GHEDHM O=C(c1cccn2ncc(Br)c12)N([O-])Cc1ccccc1Cl ZINC001184284141 913133763 /nfs/dbraw/zinc/13/37/63/913133763.db2.gz ZSVNGRCHHMFEPZ-UHFFFAOYSA-N -1 3 380.629 3.782 20 30 GHEDHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293200 913143244 /nfs/dbraw/zinc/14/32/44/913143244.db2.gz JGWCETLPWSPFNC-KRWDZBQOSA-N -1 3 378.538 3.565 20 30 GHEDHM O=C(c1cccc(S(=O)(=O)C(F)F)c1)N([O-])Cc1cccc2ccccc21 ZINC001184339095 913156863 /nfs/dbraw/zinc/15/68/63/913156863.db2.gz CAZQQHJIGRBDRO-UHFFFAOYSA-N -1 3 391.395 3.868 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000811186160 889272003 /nfs/dbraw/zinc/27/20/03/889272003.db2.gz DYXLACZJNHGWLX-MRXNPFEDSA-N -1 3 391.210 3.533 20 30 GHEDHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1cccc2ccccc21 ZINC000811187964 889273600 /nfs/dbraw/zinc/27/36/00/889273600.db2.gz RFPWQQXGPAOHBU-CABCVRRESA-N -1 3 388.423 3.840 20 30 GHEDHM COC(=O)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000811188826 889275725 /nfs/dbraw/zinc/27/57/25/889275725.db2.gz ZFOQHWSZMAZTNK-HNNXBMFYSA-N -1 3 380.183 3.642 20 30 GHEDHM C=CC[C@@H](CC)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868575086 889509767 /nfs/dbraw/zinc/50/97/67/889509767.db2.gz YLBNFSHKXHCHSL-UONOGXRCSA-N -1 3 383.414 3.723 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1-c1ccc(F)cc1 ZINC000916909641 890407652 /nfs/dbraw/zinc/40/76/52/890407652.db2.gz NNXHUSRPVATGHI-HNNXBMFYSA-N -1 3 396.809 3.934 20 30 GHEDHM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000813217465 891372708 /nfs/dbraw/zinc/37/27/08/891372708.db2.gz LPBKXMYLGVKNRO-CQSZACIVSA-N -1 3 375.306 3.547 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ncc(-c2ccccc2)o1 ZINC000163498119 895022748 /nfs/dbraw/zinc/02/27/48/895022748.db2.gz HTJYKGBUCJVUJB-ZDUSSCGKSA-N -1 3 385.420 3.533 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)cn2)cc1 ZINC000817714820 895862148 /nfs/dbraw/zinc/86/21/48/895862148.db2.gz XHRHWJQASSAOFC-QGZVFWFLSA-N -1 3 393.443 3.517 20 30 GHEDHM CC(=NNc1cc(Cl)nc(Cl)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000819831569 897013723 /nfs/dbraw/zinc/01/37/23/897013723.db2.gz NEOKACVCKBDFJH-UHFFFAOYSA-N -1 3 395.290 3.762 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000826387255 899160000 /nfs/dbraw/zinc/16/00/00/899160000.db2.gz MLPZSNYNQWFJLH-UHFFFAOYSA-N -1 3 392.426 3.665 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000826387255 899160009 /nfs/dbraw/zinc/16/00/09/899160009.db2.gz MLPZSNYNQWFJLH-UHFFFAOYSA-N -1 3 392.426 3.665 20 30 GHEDHM N#Cc1ccccc1C=C1CSCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826387010 899174038 /nfs/dbraw/zinc/17/40/38/899174038.db2.gz BVOGIYAVTCCTNP-XXGRXQMWSA-N -1 3 385.452 3.521 20 30 GHEDHM N#Cc1ccccc1C=C1CSCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826387010 899174046 /nfs/dbraw/zinc/17/40/46/899174046.db2.gz BVOGIYAVTCCTNP-XXGRXQMWSA-N -1 3 385.452 3.521 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000823898810 899289043 /nfs/dbraw/zinc/28/90/43/899289043.db2.gz CIIRDIFKOLITLE-CYBMUJFWSA-N -1 3 389.525 3.755 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000823898810 899289056 /nfs/dbraw/zinc/28/90/56/899289056.db2.gz CIIRDIFKOLITLE-CYBMUJFWSA-N -1 3 389.525 3.755 20 30 GHEDHM C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823888027 899306490 /nfs/dbraw/zinc/30/64/90/899306490.db2.gz DBWYHDKYXWSPAQ-LSDHHAIUSA-N -1 3 376.464 3.859 20 30 GHEDHM C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823888027 899306500 /nfs/dbraw/zinc/30/65/00/899306500.db2.gz DBWYHDKYXWSPAQ-LSDHHAIUSA-N -1 3 376.464 3.859 20 30 GHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401116 899727713 /nfs/dbraw/zinc/72/77/13/899727713.db2.gz QAXDJGKYYALKPW-DAXSKMNVSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401116 899727722 /nfs/dbraw/zinc/72/77/22/899727722.db2.gz QAXDJGKYYALKPW-DAXSKMNVSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399722 899735341 /nfs/dbraw/zinc/73/53/41/899735341.db2.gz DEAUMWYSLUIRDH-DJWKRKHSSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399722 899735351 /nfs/dbraw/zinc/73/53/51/899735351.db2.gz DEAUMWYSLUIRDH-DJWKRKHSSA-N -1 3 379.214 3.726 20 30 GHEDHM CCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)cc1F ZINC000124143680 902030244 /nfs/dbraw/zinc/03/02/44/902030244.db2.gz SKZKXWOSHWXRSH-IBGZPJMESA-N -1 3 387.430 3.732 20 30 GHEDHM COc1cccc(CO[C@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845839697 902453693 /nfs/dbraw/zinc/45/36/93/902453693.db2.gz VTGAZJCGBCULIH-UZLBHIALSA-N -1 3 377.440 3.610 20 30 GHEDHM N#CC(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)=C([O-])C1(c2ccccc2)CC1 ZINC000845842284 902459122 /nfs/dbraw/zinc/45/91/22/902459122.db2.gz SZIAGRRKUBHPFG-INIZCTEOSA-N -1 3 395.842 3.663 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000845842284 902459138 /nfs/dbraw/zinc/45/91/38/902459138.db2.gz SZIAGRRKUBHPFG-INIZCTEOSA-N -1 3 395.842 3.663 20 30 GHEDHM CCCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC ZINC000600811146 902947705 /nfs/dbraw/zinc/94/77/05/902947705.db2.gz OPCHJPMPYBECBO-UHFFFAOYSA-N -1 3 383.448 3.644 20 30 GHEDHM CC(C)c1nccnc1[N-]N=C1C(=O)Nc2ccc(Br)c(Cl)c21 ZINC000773091721 904422145 /nfs/dbraw/zinc/42/21/45/904422145.db2.gz WSAVWOIKGBJVGY-UHFFFAOYSA-N -1 3 394.660 3.784 20 30 GHEDHM CO[C@H](c1ccc(Br)cc1)[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000773149798 904489978 /nfs/dbraw/zinc/48/99/78/904489978.db2.gz MIQALFZEEFYPNB-GCFCWTNHSA-N -1 3 393.281 3.546 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(-c4noc(C5CC5)n4)c3)nc1-2 ZINC000429574637 906463335 /nfs/dbraw/zinc/46/33/35/906463335.db2.gz RNFLDTFSFXSFNX-HNNXBMFYSA-N -1 3 384.399 3.684 20 30 GHEDHM Cc1nc(-c2ncccn2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193375314 908311320 /nfs/dbraw/zinc/31/13/20/908311320.db2.gz ZSOGAZKAVOLOQF-CYBMUJFWSA-N -1 3 397.847 3.523 20 30 GHEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)ccc1Cl ZINC000779759091 908620582 /nfs/dbraw/zinc/62/05/82/908620582.db2.gz DCXFFPGYCPFGRN-INIZCTEOSA-N -1 3 386.864 3.923 20 30 GHEDHM CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001180714279 910297021 /nfs/dbraw/zinc/29/70/21/910297021.db2.gz MIDOFMGZPOBDDN-GOSISDBHSA-N -1 3 395.459 3.681 20 30 GHEDHM Cc1ccc2c(C)cc(=NN=C3C(=O)[N-]c4c3cc([N+](=O)[O-])cc4F)[nH]c2c1C ZINC000774347013 911693395 /nfs/dbraw/zinc/69/33/95/911693395.db2.gz FGFOCJNTZNIPAM-UHFFFAOYSA-N -1 3 393.378 3.976 20 30 GHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2)cc1F ZINC001188699531 916120849 /nfs/dbraw/zinc/12/08/49/916120849.db2.gz DZRURYMEYPYXQX-UHFFFAOYSA-N -1 3 384.374 3.797 20 30 GHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2)cc1F ZINC001188699531 916120858 /nfs/dbraw/zinc/12/08/58/916120858.db2.gz DZRURYMEYPYXQX-UHFFFAOYSA-N -1 3 384.374 3.797 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(OCc3ccccc3)c2)c1 ZINC001190660718 917451189 /nfs/dbraw/zinc/45/11/89/917451189.db2.gz DFECBVVRFHDDCM-UHFFFAOYSA-N -1 3 396.443 3.755 20 30 GHEDHM COc1cc(Br)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1C ZINC001190651187 917481483 /nfs/dbraw/zinc/48/14/83/917481483.db2.gz WITCNHRURCULRX-UHFFFAOYSA-N -1 3 399.241 3.578 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(C#CC(C)(C)O)cc2)c([O-])c1 ZINC001191187040 917841066 /nfs/dbraw/zinc/84/10/66/917841066.db2.gz IQAHURZNLNZAPU-UHFFFAOYSA-N -1 3 395.455 3.722 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000114626614 919404811 /nfs/dbraw/zinc/40/48/11/919404811.db2.gz RYXNGYLXTHXEDT-AZUAARDMSA-N -1 3 382.435 3.815 20 30 GHEDHM O=C(Nc1ccccc1)N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000800790064 920465658 /nfs/dbraw/zinc/46/56/58/920465658.db2.gz AYLRYDCZJKYOJC-MBTVCVBTSA-N -1 3 388.265 3.880 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)c(=O)[n-]1 ZINC000411010783 925990391 /nfs/dbraw/zinc/99/03/91/925990391.db2.gz KXLRANQGVNTEMZ-GHMZBOCLSA-N -1 3 384.505 3.989 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)c(=O)[n-]1 ZINC000411010792 925990451 /nfs/dbraw/zinc/99/04/51/925990451.db2.gz KXLRANQGVNTEMZ-WDEREUQCSA-N -1 3 384.505 3.989 20 30 GHEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001276165464 926428242 /nfs/dbraw/zinc/42/82/42/926428242.db2.gz AIDPGZOCQXDPFT-HNNXBMFYSA-N -1 3 383.319 3.993 20 30 GHEDHM Fc1ccc(Cl)cc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000753689227 929483021 /nfs/dbraw/zinc/48/30/21/929483021.db2.gz COSRZGJUNFANLO-OAHLLOKOSA-N -1 3 390.827 3.754 20 30 GHEDHM C[C@H](C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000467944732 929618930 /nfs/dbraw/zinc/61/89/30/929618930.db2.gz AIEZRRQDAGCHND-SNVBAGLBSA-N -1 3 398.271 3.892 20 30 GHEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cc(-n2ccnc2)cs1 ZINC000783817752 931666514 /nfs/dbraw/zinc/66/65/14/931666514.db2.gz YUKPBYZNDYMGGH-UHFFFAOYSA-N -1 3 398.542 3.989 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cn1 ZINC000799602519 933060052 /nfs/dbraw/zinc/06/00/52/933060052.db2.gz SYRHAHDYKMGUBZ-KRWDZBQOSA-N -1 3 387.395 3.844 20 30 GHEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1cnc2ccccc2n1 ZINC000560595955 933372185 /nfs/dbraw/zinc/37/21/85/933372185.db2.gz SUYRAQPAMOYAPU-GFCCVEGCSA-N -1 3 392.216 3.530 20 30 GHEDHM C#CCN(C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)C(C)C ZINC000931623842 934649251 /nfs/dbraw/zinc/64/92/51/934649251.db2.gz CRTBMUPQKBNXRJ-UHFFFAOYSA-N -1 3 399.516 3.980 20 30 GHEDHM N#CC(=C([O-])c1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc(F)n1 ZINC001122715039 934960369 /nfs/dbraw/zinc/96/03/69/934960369.db2.gz VDIFZHKUYINCGN-HNNXBMFYSA-N -1 3 381.794 3.574 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC=CCC3)n2Cc2cc(C)on2)c1[O-] ZINC001123800388 935292030 /nfs/dbraw/zinc/29/20/30/935292030.db2.gz RQPUHPDQTMHDOK-UHFFFAOYSA-N -1 3 391.475 3.880 20 30 GHEDHM CCOc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1OCC(=O)[O-] ZINC000830027103 935891847 /nfs/dbraw/zinc/89/18/47/935891847.db2.gz LZRCZMZECGKAMI-CYBMUJFWSA-N -1 3 388.445 3.619 20 30 GHEDHM C=CCC[C@H](O)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC001573334601 947459934 /nfs/dbraw/zinc/45/99/34/947459934.db2.gz PGGFFKOWTLLOHV-IBGZPJMESA-N -1 3 381.455 3.648 20 30 GHEDHM C=CCC[C@H](O)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC001573334601 947459945 /nfs/dbraw/zinc/45/99/45/947459945.db2.gz PGGFFKOWTLLOHV-IBGZPJMESA-N -1 3 381.455 3.648 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2cccc(Br)c2)nc1)c1ccncn1 ZINC000545446544 1015879819 /nfs/dbraw/zinc/87/98/19/1015879819.db2.gz MMUPBESXSYVOPZ-OAHLLOKOSA-N -1 3 395.216 3.916 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2c[nH]c3cc(F)ccc23)no1 ZINC000545681551 1016230636 /nfs/dbraw/zinc/23/06/36/1016230636.db2.gz BFVBWZGPYXNRKB-UHFFFAOYSA-N -1 3 391.406 3.655 20 30 GHEDHM CCOC(=O)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncc1C ZINC001155913937 1032791878 /nfs/dbraw/zinc/79/18/78/1032791878.db2.gz CUZNUUSUMHUQSR-UHFFFAOYSA-N -1 3 383.326 3.713 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000835038747 1021795708 /nfs/dbraw/zinc/79/57/08/1021795708.db2.gz YTLQFZFHCUXHKQ-AWEZNQCLSA-N -1 3 391.431 3.805 20 30 GHEDHM Cc1nc(-c2c(C)noc2C)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000835064722 1021843408 /nfs/dbraw/zinc/84/34/08/1021843408.db2.gz YHOHDJVOAMUOAA-OAHLLOKOSA-N -1 3 394.456 3.993 20 30 GHEDHM COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc(Br)cc1[O-] ZINC000756835910 1023829335 /nfs/dbraw/zinc/82/93/35/1023829335.db2.gz YAJKZTSZLWUPSS-UHFFFAOYSA-N -1 3 380.198 3.908 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1c[nH]c2ncc(Br)nc12 ZINC001156779618 1033237214 /nfs/dbraw/zinc/23/72/14/1033237214.db2.gz YRJZLBDLIUMBEN-UHFFFAOYSA-N -1 3 382.177 3.591 20 30 GHEDHM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)ccc1C ZINC001138698295 1025223399 /nfs/dbraw/zinc/22/33/99/1025223399.db2.gz OUPDHOUHVXWOPF-KRWDZBQOSA-N -1 3 398.528 3.890 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc(Cl)s1 ZINC000839395320 1025872765 /nfs/dbraw/zinc/87/27/65/1025872765.db2.gz QSNVDQGWMLAGDM-LBPRGKRZSA-N -1 3 378.866 3.676 20 30 GHEDHM Cc1ccc(-c2cnnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC001163765338 1026307992 /nfs/dbraw/zinc/30/79/92/1026307992.db2.gz QJRADBIDVVULCX-UHFFFAOYSA-N -1 3 389.337 3.994 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC000842290487 1029183932 /nfs/dbraw/zinc/18/39/32/1029183932.db2.gz YREYENXETKKWAZ-INIZCTEOSA-N -1 3 381.388 3.652 20 30 GHEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c([O-])c1Cl ZINC001276736670 1029582106 /nfs/dbraw/zinc/58/21/06/1029582106.db2.gz XKQKURDKWPWQMO-FQEVSTJZSA-N -1 3 378.900 3.587 20 30 GHEDHM COc1c([O-])cc(-c2nc(-c3cc(F)cc(C#N)c3)no2)cc1Br ZINC001216761415 1029922552 /nfs/dbraw/zinc/92/25/52/1029922552.db2.gz BWSLJFXANSLCAH-UHFFFAOYSA-N -1 3 390.168 3.891 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c(N)sc3c2CCCC3)c(C)c1[O-] ZINC001218934664 1031161634 /nfs/dbraw/zinc/16/16/34/1031161634.db2.gz IIZSRBVCVAFIKY-UHFFFAOYSA-N -1 3 399.472 3.524 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001218968121 1031185765 /nfs/dbraw/zinc/18/57/65/1031185765.db2.gz HJYASYHGCFBQBS-QFIPXVFZSA-N -1 3 398.466 3.688 20 30 GHEDHM N#Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)c(F)cc1F ZINC001219884045 1031674303 /nfs/dbraw/zinc/67/43/03/1031674303.db2.gz ONXMCMONGNOTIT-UHFFFAOYSA-N -1 3 382.164 3.626 20 30 GHEDHM O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1c([O-])cc2ccccc2c1O ZINC001154030567 1031888659 /nfs/dbraw/zinc/88/86/59/1031888659.db2.gz GHAHNTFDHPGMBW-UHFFFAOYSA-N -1 3 393.782 3.510 20 30 GHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ncnc2ccc(Br)cc21 ZINC001154072412 1031911154 /nfs/dbraw/zinc/91/11/54/1031911154.db2.gz DJVZWPLXMJIJPG-UHFFFAOYSA-N -1 3 389.159 3.794 20 30 GHEDHM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599740 1032035053 /nfs/dbraw/zinc/03/50/53/1032035053.db2.gz NDRYPONBXKRGOC-AWEZNQCLSA-N -1 3 390.313 3.977 20 30 GHEDHM CCN1CCC[C@@H](Oc2c(O)ccc(/C=C/C(=O)c3ccc([O-])cc3)c2OC)C1 ZINC001230153281 1033920566 /nfs/dbraw/zinc/92/05/66/1033920566.db2.gz DGHHCXBLWYGLAP-YRVHBARZSA-N -1 3 397.471 3.866 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1 ZINC001231050906 1034365708 /nfs/dbraw/zinc/36/57/08/1034365708.db2.gz VKYIGLCHEVPQLZ-CYBMUJFWSA-N -1 3 388.258 3.790 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2nc3c(cc(Cl)nc3Cl)[n-]2)C1 ZINC001231050906 1034365721 /nfs/dbraw/zinc/36/57/21/1034365721.db2.gz VKYIGLCHEVPQLZ-CYBMUJFWSA-N -1 3 388.258 3.790 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2nc3cc(Cl)nc(Cl)c3[n-]2)C1 ZINC001231050906 1034365734 /nfs/dbraw/zinc/36/57/34/1034365734.db2.gz VKYIGLCHEVPQLZ-CYBMUJFWSA-N -1 3 388.258 3.790 20 30 GHEDHM C#CC[C@H](C)Oc1c(Cl)cc(Cl)c([O-])c1C(=O)NC[C@@H]1CCCN1CC ZINC001231240104 1034479308 /nfs/dbraw/zinc/47/93/08/1034479308.db2.gz QJOMGQDOMCNTFR-STQMWFEESA-N -1 3 399.318 3.704 20 30 GHEDHM C#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCCC1)c1ccc(Br)cc1 ZINC001159633715 1034697580 /nfs/dbraw/zinc/69/75/80/1034697580.db2.gz BDNVOKDJNAIQRG-CQSZACIVSA-N -1 3 386.236 3.570 20 30 GHEDHM O=C(c1c[nH]c(=O)c(Br)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161782923 1035301215 /nfs/dbraw/zinc/30/12/15/1035301215.db2.gz CSRRECMVYKPQHP-UHFFFAOYSA-N -1 3 392.036 3.888 20 30 GHEDHM Cc1nn(-c2ccccc2)c2nc(C(=O)N([O-])Cc3ccc(F)cc3)ccc12 ZINC001161842419 1035313738 /nfs/dbraw/zinc/31/37/38/1035313738.db2.gz CYSFSBIITGZNLH-UHFFFAOYSA-N -1 3 376.391 3.900 20 30 GHEDHM CCCCCCCCOc1ccc(-c2noc([C@@H](N)CCc3nn[n-]n3)n2)cc1 ZINC001247282685 1038066241 /nfs/dbraw/zinc/06/62/41/1038066241.db2.gz AZHHMHIMZGOTCJ-KRWDZBQOSA-N -1 3 399.499 3.622 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC001252502868 1039008175 /nfs/dbraw/zinc/00/81/75/1039008175.db2.gz FJLAEDXAHNLELH-UHFFFAOYSA-N -1 3 388.452 3.892 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3Cc4ccc(Br)cc4C3)c12 ZINC001234511500 1040089694 /nfs/dbraw/zinc/08/96/94/1040089694.db2.gz QOMWPTSZOAGQHD-AWEZNQCLSA-N -1 3 382.217 3.516 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3Cc4ccc(Br)cc4C3)c12 ZINC001234511509 1040090122 /nfs/dbraw/zinc/09/01/22/1040090122.db2.gz QOMWPTSZOAGQHD-CQSZACIVSA-N -1 3 382.217 3.516 20 30 GHEDHM N#Cc1cccc(N2C[C@]3(CCN(Cc4cc(F)cc(Cl)c4[O-])C3)CC2=O)c1 ZINC001237813146 1042382166 /nfs/dbraw/zinc/38/21/66/1042382166.db2.gz KUNBOPOQMUPDLK-OAQYLSRUSA-N -1 3 399.853 3.685 20 30 GHEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)C1 ZINC001238238567 1042529236 /nfs/dbraw/zinc/52/92/36/1042529236.db2.gz SOYIDWOILPATLW-UHFFFAOYSA-N -1 3 390.455 3.525 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccccc3Cl)o2)ccc1F ZINC001257662245 1044107729 /nfs/dbraw/zinc/10/77/29/1044107729.db2.gz NEBFZALGLSFCIW-UHFFFAOYSA-N -1 3 393.827 3.660 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cccc(Br)c2)c1F ZINC001257869715 1044231153 /nfs/dbraw/zinc/23/11/53/1044231153.db2.gz LJXYAQXJWBFVSD-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)ccc2F)ccc1F ZINC001259417101 1045136322 /nfs/dbraw/zinc/13/63/22/1045136322.db2.gz GXBRBUPPFCGIND-UHFFFAOYSA-N -1 3 378.278 3.536 20 30 GHEDHM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)ccc1C ZINC001295809594 1045152434 /nfs/dbraw/zinc/15/24/34/1045152434.db2.gz XJVNAQOWAVTPAO-UHFFFAOYSA-N -1 3 398.528 3.892 20 30 GHEDHM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1Br ZINC001260298682 1045450347 /nfs/dbraw/zinc/45/03/47/1045450347.db2.gz ZEYCPFXTRWCTBH-UHFFFAOYSA-N -1 3 399.241 3.578 20 30 GHEDHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3F)ccc2O1 ZINC001260717569 1045623226 /nfs/dbraw/zinc/62/32/26/1045623226.db2.gz DVYSLPKONFXXNP-UHFFFAOYSA-N -1 3 378.400 3.741 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001263286061 1046681429 /nfs/dbraw/zinc/68/14/29/1046681429.db2.gz UMRSVYKVEVLHHF-QFIPXVFZSA-N -1 3 390.491 3.841 20 30 GHEDHM O=C(c1cc2c(c(Br)c1)OCO2)N([O-])Cc1ccccc1Cl ZINC001306894373 1048948823 /nfs/dbraw/zinc/94/88/23/1048948823.db2.gz KQUZJCXMHCTKQA-UHFFFAOYSA-N -1 3 384.613 3.863 20 30 GHEDHM O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001306896455 1048949739 /nfs/dbraw/zinc/94/97/39/1048949739.db2.gz XSCPTNSZIITDOS-JOCHJYFZSA-N -1 3 394.515 3.708 20 30 GHEDHM C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccc(C#N)cc1 ZINC001290747605 1049915444 /nfs/dbraw/zinc/91/54/44/1049915444.db2.gz LAMKUEOCWQMCHA-LLVKDONJSA-N -1 3 396.244 3.653 20 30 GHEDHM C=CCCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001309807501 1050982957 /nfs/dbraw/zinc/98/29/57/1050982957.db2.gz RCMYZPLBIODJAC-QGZVFWFLSA-N -1 3 390.461 3.979 20 30 GHEDHM N#CC(=C([O-])c1ccn(-c2ccncc2)n1)c1nc2ccccc2n1C(F)F ZINC001343377789 1053736569 /nfs/dbraw/zinc/73/65/69/1053736569.db2.gz MEIHAAJUYFAVTA-CYBMUJFWSA-N -1 3 378.342 3.502 20 30 GHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(N2CCN(C)CC2)c(F)c1 ZINC001317891522 1054293963 /nfs/dbraw/zinc/29/39/63/1054293963.db2.gz YBUCGIQSEKWEGK-JMRXEAOASA-N -1 3 384.426 3.806 20 30 GHEDHM CC(C)(C)n1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)cn1 ZINC001317897685 1054297332 /nfs/dbraw/zinc/29/73/32/1054297332.db2.gz FBFDWBWOWCZFFM-UHFFFAOYSA-N -1 3 397.504 3.525 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(OC(F)F)cc1 ZINC001318032410 1054360760 /nfs/dbraw/zinc/36/07/60/1054360760.db2.gz PLXDRMZUBNAUFT-UHFFFAOYSA-N -1 3 391.399 3.642 20 30 GHEDHM CC(C)n1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC(C)(C)C)cn1 ZINC001318469079 1054661102 /nfs/dbraw/zinc/66/11/02/1054661102.db2.gz NBQIBEHRYFOQKE-UHFFFAOYSA-N -1 3 399.520 3.987 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC001319039231 1055003478 /nfs/dbraw/zinc/00/34/78/1055003478.db2.gz ZTJMJYDLALWUAB-UHFFFAOYSA-N -1 3 379.441 3.527 20 30 GHEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1ncc(C(N)=O)cc1Cl ZINC001319755449 1055445862 /nfs/dbraw/zinc/44/58/62/1055445862.db2.gz KAJMNJQFFFCCDC-UHFFFAOYSA-N -1 3 382.832 3.686 20 30 GHEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001356008070 1057354211 /nfs/dbraw/zinc/35/42/11/1057354211.db2.gz UGPGLFIUZHZRHC-UHFFFAOYSA-N -1 3 390.447 3.690 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(F)cc(C(=O)OC)c1 ZINC001356254183 1057448935 /nfs/dbraw/zinc/44/89/35/1057448935.db2.gz RWUNDWIGKDBZCQ-SFHVURJKSA-N -1 3 396.418 3.698 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001339068957 1058945922 /nfs/dbraw/zinc/94/59/22/1058945922.db2.gz LOAVRZOFWSBEEL-GOSISDBHSA-N -1 3 376.464 3.585 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC001448845315 1060281103 /nfs/dbraw/zinc/28/11/03/1060281103.db2.gz NWICNHDACKNARV-AWEZNQCLSA-N -1 3 384.461 3.779 20 30 GHEDHM COC(=O)c1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)n(-c2ccccc2)n1 ZINC001341915795 1060950593 /nfs/dbraw/zinc/95/05/93/1060950593.db2.gz VXZOCXUXHAKARH-QGZVFWFLSA-N -1 3 396.406 3.697 20 30 GHEDHM N#Cc1ccc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)cc1F ZINC001459179028 1064015255 /nfs/dbraw/zinc/01/52/55/1064015255.db2.gz IZGZMWGSCHXCDM-UHFFFAOYSA-N -1 3 391.431 3.883 20 30 GHEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(C#N)cc3F)s2)cc1 ZINC001352092681 1064830400 /nfs/dbraw/zinc/83/04/00/1064830400.db2.gz PRQPPVYXLPJAML-UHFFFAOYSA-N -1 3 395.444 3.965 20 30 GHEDHM O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001472618770 1073579790 /nfs/dbraw/zinc/57/97/90/1073579790.db2.gz HPYGMYYLMWTJMF-MRXNPFEDSA-N -1 3 390.842 3.749 20 30 GHEDHM C#Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001474634962 1074492507 /nfs/dbraw/zinc/49/25/07/1074492507.db2.gz KDAYJQACDJTBPE-WOJBJXKFSA-N -1 3 386.417 3.705 20 30 GHEDHM CC(C)(C)CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001475310269 1074829841 /nfs/dbraw/zinc/82/98/41/1074829841.db2.gz TWHQZOAMOPAFCO-QGZVFWFLSA-N -1 3 394.537 3.514 20 30 GHEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc2cc(Cl)ccc2o1 ZINC001475575690 1074918364 /nfs/dbraw/zinc/91/83/64/1074918364.db2.gz WJPGBANWKXOBPH-UHFFFAOYSA-N -1 3 393.827 3.706 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(O)ccc1Br ZINC000823504284 607252510 /nfs/dbraw/zinc/25/25/10/607252510.db2.gz OMGWKUQOKSRCAU-DHZHZOJOSA-N -1 3 397.232 3.547 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(O)ccc1Br ZINC000823504284 607252511 /nfs/dbraw/zinc/25/25/11/607252511.db2.gz OMGWKUQOKSRCAU-DHZHZOJOSA-N -1 3 397.232 3.547 20 30 GHEDHM COc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1OC(F)F ZINC000821862778 599110742 /nfs/dbraw/zinc/11/07/42/599110742.db2.gz FCLGFZMDOGCQJR-BENRWUELSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1OC(F)F ZINC000821862778 599110744 /nfs/dbraw/zinc/11/07/44/599110744.db2.gz FCLGFZMDOGCQJR-BENRWUELSA-N -1 3 398.369 3.689 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823504628 599115448 /nfs/dbraw/zinc/11/54/48/599115448.db2.gz SFLRPNMWSLCQDG-GHXNOFRVSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823504628 599115450 /nfs/dbraw/zinc/11/54/50/599115450.db2.gz SFLRPNMWSLCQDG-GHXNOFRVSA-N -1 3 381.779 3.641 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1-c1nnn[n-]1 ZINC000737080748 599153818 /nfs/dbraw/zinc/15/38/18/599153818.db2.gz HFZYQEGCDIDWBK-YFHOEESVSA-N -1 3 386.411 3.933 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1-c1nn[n-]n1 ZINC000737080748 599153819 /nfs/dbraw/zinc/15/38/19/599153819.db2.gz HFZYQEGCDIDWBK-YFHOEESVSA-N -1 3 386.411 3.933 20 30 GHEDHM COc1ccc(C=C2COc3ccc(C(C)C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737081070 599154753 /nfs/dbraw/zinc/15/47/53/599154753.db2.gz BGGGDSHJYLRSGF-NVNXTCNLSA-N -1 3 376.416 3.657 20 30 GHEDHM COc1ccc(C=C2COc3ccc(C(C)C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737081070 599154755 /nfs/dbraw/zinc/15/47/55/599154755.db2.gz BGGGDSHJYLRSGF-NVNXTCNLSA-N -1 3 376.416 3.657 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737081317 599155440 /nfs/dbraw/zinc/15/54/40/599155440.db2.gz MWOGHSASVICLHZ-FNORWQNLSA-N -1 3 390.321 3.670 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737081317 599155443 /nfs/dbraw/zinc/15/54/43/599155443.db2.gz MWOGHSASVICLHZ-FNORWQNLSA-N -1 3 390.321 3.670 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737261439 599157350 /nfs/dbraw/zinc/15/73/50/599157350.db2.gz FFPZQHPSGRKWNF-WMZJFQQLSA-N -1 3 388.406 3.704 20 30 GHEDHM C=CC[C@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735409766 599203403 /nfs/dbraw/zinc/20/34/03/599203403.db2.gz KVEDDJDEPSKJAG-AWEZNQCLSA-N -1 3 379.489 3.853 20 30 GHEDHM C=CC[C@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735409766 599203405 /nfs/dbraw/zinc/20/34/05/599203405.db2.gz KVEDDJDEPSKJAG-AWEZNQCLSA-N -1 3 379.489 3.853 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819740088 599217637 /nfs/dbraw/zinc/21/76/37/599217637.db2.gz NZVWNUVZTFBAMC-ZDUSSCGKSA-N -1 3 397.410 3.718 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819740088 599217638 /nfs/dbraw/zinc/21/76/38/599217638.db2.gz NZVWNUVZTFBAMC-ZDUSSCGKSA-N -1 3 397.410 3.718 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2c1cccc2C ZINC000735418528 598271762 /nfs/dbraw/zinc/27/17/62/598271762.db2.gz GKJVCLUBRMVLFG-HXUWFJFHSA-N -1 3 388.475 3.560 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCc2c1cccc2C ZINC000735418528 598271764 /nfs/dbraw/zinc/27/17/64/598271764.db2.gz GKJVCLUBRMVLFG-HXUWFJFHSA-N -1 3 388.475 3.560 20 30 GHEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000736192248 598569288 /nfs/dbraw/zinc/56/92/88/598569288.db2.gz KVSBYBDDNJYVBF-NSHDSACASA-N -1 3 379.493 3.866 20 30 GHEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(C(C)(C)C)cc1 ZINC000736192248 598569289 /nfs/dbraw/zinc/56/92/89/598569289.db2.gz KVSBYBDDNJYVBF-NSHDSACASA-N -1 3 379.493 3.866 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735401980 598658220 /nfs/dbraw/zinc/65/82/20/598658220.db2.gz CJKNXBZBRIYQHH-UHFFFAOYSA-N -1 3 381.461 3.552 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735401980 598658221 /nfs/dbraw/zinc/65/82/21/598658221.db2.gz CJKNXBZBRIYQHH-UHFFFAOYSA-N -1 3 381.461 3.552 20 30 GHEDHM Cc1nnc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c(C#N)c1C ZINC000737531958 598795975 /nfs/dbraw/zinc/79/59/75/598795975.db2.gz HNUGEXVHEUKYLI-UHFFFAOYSA-N -1 3 384.403 3.681 20 30 GHEDHM N#Cc1ccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000737719917 599331066 /nfs/dbraw/zinc/33/10/66/599331066.db2.gz WZPTZLHNLBPWIP-UHFFFAOYSA-N -1 3 388.353 3.638 20 30 GHEDHM C(=NN=c1nc[nH]c2sc(-c3ccccc3)cc21)c1ccc(-c2nnn[n-]2)o1 ZINC000819718994 599331266 /nfs/dbraw/zinc/33/12/66/599331266.db2.gz WLQZWIIJWNUQMZ-UHFFFAOYSA-N -1 3 388.416 3.577 20 30 GHEDHM C(=NN=c1nc[nH]c2sc(-c3ccccc3)cc21)c1ccc(-c2nn[n-]n2)o1 ZINC000819718994 599331269 /nfs/dbraw/zinc/33/12/69/599331269.db2.gz WLQZWIIJWNUQMZ-UHFFFAOYSA-N -1 3 388.416 3.577 20 30 GHEDHM c1ccc2c(c1)oc1c2ncnc1N=NC1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823802006 599336696 /nfs/dbraw/zinc/33/66/96/599336696.db2.gz FJFLBCUGFYVJCI-UHFFFAOYSA-N -1 3 396.414 3.709 20 30 GHEDHM c1ccc2c(c1)oc1c2ncnc1N=NC1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823802006 599336699 /nfs/dbraw/zinc/33/66/99/599336699.db2.gz FJFLBCUGFYVJCI-UHFFFAOYSA-N -1 3 396.414 3.709 20 30 GHEDHM CCc1c2ccccc2oc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736664932 599459840 /nfs/dbraw/zinc/45/98/40/599459840.db2.gz AXXNHQWWVGMJKQ-HJWRWDBZSA-N -1 3 384.399 3.719 20 30 GHEDHM CCc1c2ccccc2oc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736664932 599459843 /nfs/dbraw/zinc/45/98/43/599459843.db2.gz AXXNHQWWVGMJKQ-HJWRWDBZSA-N -1 3 384.399 3.719 20 30 GHEDHM C[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820689888 599620461 /nfs/dbraw/zinc/62/04/61/599620461.db2.gz DGTZSZLGBYRPRU-UHOFOFEASA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820689888 599620462 /nfs/dbraw/zinc/62/04/62/599620462.db2.gz DGTZSZLGBYRPRU-UHOFOFEASA-N -1 3 392.488 3.993 20 30 GHEDHM CCc1ccc(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000821475889 599631869 /nfs/dbraw/zinc/63/18/69/599631869.db2.gz BWRAGGGWIHTRMP-UHFFFAOYSA-N -1 3 384.399 3.813 20 30 GHEDHM CCc1ccc(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000821475889 599631870 /nfs/dbraw/zinc/63/18/70/599631870.db2.gz BWRAGGGWIHTRMP-UHFFFAOYSA-N -1 3 384.399 3.813 20 30 GHEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000739105978 600566403 /nfs/dbraw/zinc/56/64/03/600566403.db2.gz PESMMHABENGWJN-IBGZPJMESA-N -1 3 382.847 3.932 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)s1 ZINC000822923422 607455432 /nfs/dbraw/zinc/45/54/32/607455432.db2.gz RLGNMGKLJMDKNV-ONEGZZNKSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)s1 ZINC000822923422 607455433 /nfs/dbraw/zinc/45/54/33/607455433.db2.gz RLGNMGKLJMDKNV-ONEGZZNKSA-N -1 3 379.214 3.726 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000823909624 607674344 /nfs/dbraw/zinc/67/43/44/607674344.db2.gz LEOVMUDYGYOXBD-IAGOWNOFSA-N -1 3 379.489 3.555 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000823909624 607674346 /nfs/dbraw/zinc/67/43/46/607674346.db2.gz LEOVMUDYGYOXBD-IAGOWNOFSA-N -1 3 379.489 3.555 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(CC)c(F)c1 ZINC000823909824 607768337 /nfs/dbraw/zinc/76/83/37/607768337.db2.gz RJYXNJORCGNBFC-UHFFFAOYSA-N -1 3 380.427 3.788 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(CC)c(F)c1 ZINC000823909824 607768338 /nfs/dbraw/zinc/76/83/38/607768338.db2.gz RJYXNJORCGNBFC-UHFFFAOYSA-N -1 3 380.427 3.788 20 30 GHEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1Br ZINC000821768844 606304011 /nfs/dbraw/zinc/30/40/11/606304011.db2.gz AGHPLRJEIWVKPT-ONEGZZNKSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Br ZINC000821768844 606304013 /nfs/dbraw/zinc/30/40/13/606304013.db2.gz AGHPLRJEIWVKPT-ONEGZZNKSA-N -1 3 391.250 3.595 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(Cl)ccc(Cl)c21 ZINC000823505148 606391722 /nfs/dbraw/zinc/39/17/22/606391722.db2.gz YCGISKJQAZBAIR-ALCCZGGFSA-N -1 3 379.228 3.894 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)cc1 ZINC000822832431 606469662 /nfs/dbraw/zinc/46/96/62/606469662.db2.gz AQQKDQQHCIICMC-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)cc1 ZINC000822832431 606469663 /nfs/dbraw/zinc/46/96/63/606469663.db2.gz AQQKDQQHCIICMC-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000822145274 606840853 /nfs/dbraw/zinc/84/08/53/606840853.db2.gz PZUWYKPGEIFDSY-UHFFFAOYSA-N -1 3 389.415 3.818 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000822145274 606840854 /nfs/dbraw/zinc/84/08/54/606840854.db2.gz PZUWYKPGEIFDSY-UHFFFAOYSA-N -1 3 389.415 3.818 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)CSc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822309444 607010322 /nfs/dbraw/zinc/01/03/22/607010322.db2.gz YZAGDUOTRPGXCP-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)CSc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822309444 607010323 /nfs/dbraw/zinc/01/03/23/607010323.db2.gz YZAGDUOTRPGXCP-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM CCC(=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)CC ZINC000820832676 607095842 /nfs/dbraw/zinc/09/58/42/607095842.db2.gz MUOLZGRGDKAZFK-HNNXBMFYSA-N -1 3 378.461 3.913 20 30 GHEDHM CCC(=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)CC ZINC000820832676 607095844 /nfs/dbraw/zinc/09/58/44/607095844.db2.gz MUOLZGRGDKAZFK-HNNXBMFYSA-N -1 3 378.461 3.913 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822829907 607241862 /nfs/dbraw/zinc/24/18/62/607241862.db2.gz OQMGWMRDDBLLEA-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822829907 607241863 /nfs/dbraw/zinc/24/18/63/607241863.db2.gz OQMGWMRDDBLLEA-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000826282954 607785788 /nfs/dbraw/zinc/78/57/88/607785788.db2.gz GZSKGAPQPAPJEO-UHFFFAOYSA-N -1 3 390.447 3.578 20 30 GHEDHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000826282954 607785789 /nfs/dbraw/zinc/78/57/89/607785789.db2.gz GZSKGAPQPAPJEO-UHFFFAOYSA-N -1 3 390.447 3.578 20 30 GHEDHM N#CCC[C@@H](C#N)COc1ccccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826381431 607877711 /nfs/dbraw/zinc/87/77/11/607877711.db2.gz LSIBZMIEAZQKSC-ZDUSSCGKSA-N -1 3 378.367 3.620 20 30 GHEDHM N#CCC[C@@H](C#N)COc1ccccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826381431 607877712 /nfs/dbraw/zinc/87/77/12/607877712.db2.gz LSIBZMIEAZQKSC-ZDUSSCGKSA-N -1 3 378.367 3.620 20 30 GHEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000824747171 607929264 /nfs/dbraw/zinc/92/92/64/607929264.db2.gz ZANGRGRFCDSPNN-LLVKDONJSA-N -1 3 396.476 3.503 20 30 GHEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000824747171 607929265 /nfs/dbraw/zinc/92/92/65/607929265.db2.gz ZANGRGRFCDSPNN-LLVKDONJSA-N -1 3 396.476 3.503 20 30 GHEDHM C=C[C@H](CC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823882672 607970454 /nfs/dbraw/zinc/97/04/54/607970454.db2.gz BMLYOOSYJSAXLS-GOSISDBHSA-N -1 3 375.476 3.965 20 30 GHEDHM C=C[C@H](CC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882672 607970455 /nfs/dbraw/zinc/97/04/55/607970455.db2.gz BMLYOOSYJSAXLS-GOSISDBHSA-N -1 3 375.476 3.965 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2c1c(Br)ccc2F ZINC000826475250 607983190 /nfs/dbraw/zinc/98/31/90/607983190.db2.gz AALGEXVCRRFYGF-CLTKARDFSA-N -1 3 391.225 3.652 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2c1c(Br)ccc2F ZINC000826475250 607983191 /nfs/dbraw/zinc/98/31/91/607983191.db2.gz AALGEXVCRRFYGF-CLTKARDFSA-N -1 3 391.225 3.652 20 30 GHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958640 608094822 /nfs/dbraw/zinc/09/48/22/608094822.db2.gz UKYDWEJHGJPZNM-UHFFFAOYSA-N -1 3 377.355 3.655 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C#N)s1 ZINC000824131140 608348827 /nfs/dbraw/zinc/34/88/27/608348827.db2.gz ULDLLHGEEKPKKQ-CMDGGOBGSA-N -1 3 378.461 3.749 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C#N)s1 ZINC000824131140 608348829 /nfs/dbraw/zinc/34/88/29/608348829.db2.gz ULDLLHGEEKPKKQ-CMDGGOBGSA-N -1 3 378.461 3.749 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C#N)s1 ZINC000824131141 608349285 /nfs/dbraw/zinc/34/92/85/608349285.db2.gz ULDLLHGEEKPKKQ-HJWRWDBZSA-N -1 3 378.461 3.749 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C#N)s1 ZINC000824131141 608349287 /nfs/dbraw/zinc/34/92/87/608349287.db2.gz ULDLLHGEEKPKKQ-HJWRWDBZSA-N -1 3 378.461 3.749 20 30 GHEDHM O=C(C=Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403571 609132951 /nfs/dbraw/zinc/13/29/51/609132951.db2.gz WEKUJLSLKHAYCC-UNXLUWIOSA-N -1 3 394.797 3.741 20 30 GHEDHM O=C(C=Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403571 609132952 /nfs/dbraw/zinc/13/29/52/609132952.db2.gz WEKUJLSLKHAYCC-UNXLUWIOSA-N -1 3 394.797 3.741 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000823958588 609159468 /nfs/dbraw/zinc/15/94/68/609159468.db2.gz RPBHTQDGZHQPFC-UHFFFAOYSA-N -1 3 389.316 3.732 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000823958588 609159469 /nfs/dbraw/zinc/15/94/69/609159469.db2.gz RPBHTQDGZHQPFC-UHFFFAOYSA-N -1 3 389.316 3.732 20 30 GHEDHM CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825268363 609267922 /nfs/dbraw/zinc/26/79/22/609267922.db2.gz UCYXNUPLLZGMIG-MAUKXSAKSA-N -1 3 386.500 3.747 20 30 GHEDHM CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825268363 609267924 /nfs/dbraw/zinc/26/79/24/609267924.db2.gz UCYXNUPLLZGMIG-MAUKXSAKSA-N -1 3 386.500 3.747 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826332258 609471900 /nfs/dbraw/zinc/47/19/00/609471900.db2.gz OSRVGJQZHSDTSV-UHFFFAOYSA-N -1 3 392.854 3.769 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826332258 609471903 /nfs/dbraw/zinc/47/19/03/609471903.db2.gz OSRVGJQZHSDTSV-UHFFFAOYSA-N -1 3 392.854 3.769 20 30 GHEDHM N#CC(=C([O-])c1ccc2[nH]c(=O)n(C3CC3)c2c1)c1cc(C(F)(F)F)ccn1 ZINC000659115005 837599056 /nfs/dbraw/zinc/59/90/56/837599056.db2.gz MAHOYMCKOJFUND-CYBMUJFWSA-N 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/nfs/dbraw/zinc/92/43/23/837924323.db2.gz UIFYOTSDKASWCX-UHFFFAOYSA-N -1 3 383.411 3.969 20 30 GHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000416964616 840312733 /nfs/dbraw/zinc/31/27/33/840312733.db2.gz WEAIGUBCMUFLSN-ZDUSSCGKSA-N -1 3 385.367 3.937 20 30 GHEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610472325 840519329 /nfs/dbraw/zinc/51/93/29/840519329.db2.gz BBUGBFFVCYHYMO-UHFFFAOYSA-N -1 3 393.428 3.524 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000066907452 842232514 /nfs/dbraw/zinc/23/25/14/842232514.db2.gz YXZLTOATKWNUHS-NSHDSACASA-N -1 3 380.429 3.608 20 30 GHEDHM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178162931 842258053 /nfs/dbraw/zinc/25/80/53/842258053.db2.gz PKXVHVTTWDRAGW-UHFFFAOYSA-N -1 3 390.237 3.747 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Br ZINC000432769386 843768942 /nfs/dbraw/zinc/76/89/42/843768942.db2.gz RNXDZSKVPTVTTL-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OCc4cscn4)c3)nc1-2 ZINC000429584170 843977985 /nfs/dbraw/zinc/97/79/85/843977985.db2.gz MJIDMWIXMDHELR-MRXNPFEDSA-N -1 3 389.440 3.792 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000279973371 844924953 /nfs/dbraw/zinc/92/49/53/844924953.db2.gz JLRGOUPOQRZILZ-SJLPKXTDSA-N -1 3 381.451 3.800 20 30 GHEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000121705579 845540950 /nfs/dbraw/zinc/54/09/50/845540950.db2.gz GBEDHLPWGPGQPN-NSHDSACASA-N -1 3 399.232 3.684 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2F)oc1C ZINC000121747353 846014348 /nfs/dbraw/zinc/01/43/48/846014348.db2.gz WKAFBUZILAKVLN-AWEZNQCLSA-N -1 3 393.374 3.759 20 30 GHEDHM N#Cc1ccc(C2=CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)cc1 ZINC000503625346 847842708 /nfs/dbraw/zinc/84/27/08/847842708.db2.gz GDIJYRXZUVSADB-UHFFFAOYSA-N -1 3 391.377 3.607 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Cl)cc1Cl ZINC000017222237 849957637 /nfs/dbraw/zinc/95/76/37/849957637.db2.gz IKLUJTAVYQSRJZ-UHFFFAOYSA-N -1 3 379.243 3.846 20 30 GHEDHM CCCc1c(NC(=O)c2cc(OC)ccc2[O-])cnn1-c1cccc(C#N)c1 ZINC000440076821 850765578 /nfs/dbraw/zinc/76/55/78/850765578.db2.gz KVNKNHRRFMSUTI-UHFFFAOYSA-N -1 3 376.416 3.663 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c([O-])c1 ZINC000436971773 852554565 /nfs/dbraw/zinc/55/45/65/852554565.db2.gz LHWXEQXDEMBYGT-UHFFFAOYSA-N -1 3 397.450 3.544 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436981734 852570017 /nfs/dbraw/zinc/57/00/17/852570017.db2.gz RXYUNCBKFNOHSH-AWEZNQCLSA-N -1 3 387.505 3.813 20 30 GHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000516520893 852678115 /nfs/dbraw/zinc/67/81/15/852678115.db2.gz WRUSCAWFONXTLR-ZDUSSCGKSA-N -1 3 379.707 3.709 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1F ZINC000427323409 852982129 /nfs/dbraw/zinc/98/21/29/852982129.db2.gz IKRBVTMGSNMENL-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000129636947 854286553 /nfs/dbraw/zinc/28/65/53/854286553.db2.gz CDJLQXOYBVQVAS-CQSZACIVSA-N -1 3 393.226 3.972 20 30 GHEDHM CCOc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1F ZINC000485985696 857303080 /nfs/dbraw/zinc/30/30/80/857303080.db2.gz ZOKUJFLVDBWSMZ-UHFFFAOYSA-N -1 3 382.395 3.649 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCCc2c(F)cccc2F)no1 ZINC000594530767 858211861 /nfs/dbraw/zinc/21/18/61/858211861.db2.gz JECZRXDCOYBJAC-UHFFFAOYSA-N -1 3 398.413 3.897 20 30 GHEDHM CCCCn1ncc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C(C)C ZINC000482728887 858793891 /nfs/dbraw/zinc/79/38/91/858793891.db2.gz HOTPDRAXDOOTOH-UHFFFAOYSA-N -1 3 383.496 3.967 20 30 GHEDHM N#CC1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000509253949 858844649 /nfs/dbraw/zinc/84/46/49/858844649.db2.gz JYMAFSAEQOALAB-UHFFFAOYSA-N -1 3 391.718 3.711 20 30 GHEDHM N#CC(=C([O-])c1ccc2cc(I)ccc2n1)c1ccccn1 ZINC000483453010 859383606 /nfs/dbraw/zinc/38/36/06/859383606.db2.gz SEXOAONGRBLXAX-ZDUSSCGKSA-N -1 3 399.191 3.724 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cccc3c2OCO3)cc1 ZINC000727058856 859911170 /nfs/dbraw/zinc/91/11/70/859911170.db2.gz XXZPYAWGQQOOKB-UHFFFAOYSA-N -1 3 395.440 3.662 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1F)CC1CC1 ZINC000598251608 860174914 /nfs/dbraw/zinc/17/49/14/860174914.db2.gz LKCFSXXBDHBJPO-UHFFFAOYSA-N -1 3 381.451 3.786 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccccc2F)CC1 ZINC000522897081 863670597 /nfs/dbraw/zinc/67/05/97/863670597.db2.gz SDHHLOVEKWXPBG-UHFFFAOYSA-N -1 3 381.451 3.754 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC2(c3cccc(Br)c3)CC2)c1[O-] ZINC000734303255 864136940 /nfs/dbraw/zinc/13/69/40/864136940.db2.gz IVNVFYCAKXLFHJ-AWQFTUOYSA-N -1 3 375.266 3.501 20 30 GHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnn(-c2cc(C)ccc2C)c1C ZINC000741761764 866769946 /nfs/dbraw/zinc/76/99/46/866769946.db2.gz HFTYVTAPONEKNU-UHFFFAOYSA-N -1 3 396.516 3.641 20 30 GHEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000553570449 867692394 /nfs/dbraw/zinc/69/23/94/867692394.db2.gz NBYHFQOVXKZFQX-UHFFFAOYSA-N -1 3 379.707 3.711 20 30 GHEDHM COc1cccc([C@@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])N(C)C)c1 ZINC000005292347 882162410 /nfs/dbraw/zinc/16/24/10/882162410.db2.gz XCVJYHSIIQSHDL-YEWRBRKMSA-N -1 3 377.828 3.684 20 30 GHEDHM C=C[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000156879908 868489259 /nfs/dbraw/zinc/48/92/59/868489259.db2.gz MMHBMFCZUNPELX-OAHLLOKOSA-N -1 3 388.489 3.755 20 30 GHEDHM COc1ccc(C#N)cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446026827 869281469 /nfs/dbraw/zinc/28/14/69/869281469.db2.gz UPEKRUMCZKWOMN-UHFFFAOYSA-N -1 3 382.195 3.551 20 30 GHEDHM CC(C)(C)c1cc(C(=O)N([O-])C(=N)c2ccccc2N)n(Cc2ccccc2)n1 ZINC001192755557 870672252 /nfs/dbraw/zinc/67/22/52/870672252.db2.gz FDIKLSSJKHFWGQ-UHFFFAOYSA-N -1 3 391.475 3.668 20 30 GHEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1Cl ZINC000766434830 870764278 /nfs/dbraw/zinc/76/42/78/870764278.db2.gz ZKPZBRJUESQBLK-MRXNPFEDSA-N -1 3 386.864 3.923 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)c(F)cc1F ZINC000538899378 870884919 /nfs/dbraw/zinc/88/49/19/870884919.db2.gz GNYVWGNYUJWNSE-CQSZACIVSA-N -1 3 390.333 3.835 20 30 GHEDHM CCN(CC)S(=O)(=O)c1ccc(OC)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000920943139 882465561 /nfs/dbraw/zinc/46/55/61/882465561.db2.gz OJJYXSLFEISGEI-UHFFFAOYSA-N -1 3 396.896 3.835 20 30 GHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)c2cccc(C#N)c2)[nH][n-]1 ZINC000462020242 871471159 /nfs/dbraw/zinc/47/11/59/871471159.db2.gz JXPWXHIGDLNTIW-GFCCVEGCSA-N -1 3 380.835 3.774 20 30 GHEDHM C=CCOc1cc(OC)ccc1C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000766866503 871958029 /nfs/dbraw/zinc/95/80/29/871958029.db2.gz RHGRIFMGOMAKMR-UHFFFAOYSA-N -1 3 392.411 3.950 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC001195347632 872342479 /nfs/dbraw/zinc/34/24/79/872342479.db2.gz PJOVTWLLTLLTPZ-UHFFFAOYSA-N -1 3 390.321 3.541 20 30 GHEDHM C#C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C)C1CC1 ZINC000767504884 872575832 /nfs/dbraw/zinc/57/58/32/872575832.db2.gz RVAVLWRDNLRSSZ-IBGZPJMESA-N -1 3 387.432 3.504 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1OCC(F)(F)F ZINC000619462936 872658318 /nfs/dbraw/zinc/65/83/18/872658318.db2.gz FNBIDZSQXDZZDM-UHFFFAOYSA-N -1 3 384.379 3.803 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000619463718 872659762 /nfs/dbraw/zinc/65/97/62/872659762.db2.gz RUGUFWSJXHYLKB-UHFFFAOYSA-N -1 3 388.452 3.892 20 30 GHEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc2c(ccc3ccccc32)nc1Cl ZINC001169970866 872711725 /nfs/dbraw/zinc/71/17/25/872711725.db2.gz OBWNYSOWXNHVGQ-UHFFFAOYSA-N -1 3 378.779 3.863 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC000767865392 872901160 /nfs/dbraw/zinc/90/11/60/872901160.db2.gz TUJARLUMHAXSJX-UHFFFAOYSA-N -1 3 381.229 3.549 20 30 GHEDHM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000102595906 873297292 /nfs/dbraw/zinc/29/72/92/873297292.db2.gz QDYDJFSEFGYVNY-OAHLLOKOSA-N -1 3 396.809 3.934 20 30 GHEDHM N#Cc1ccccc1N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768770143 873544586 /nfs/dbraw/zinc/54/45/86/873544586.db2.gz ONSINQCXZWFWGX-UHFFFAOYSA-N -1 3 386.839 3.538 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)cc3cc[nH]c32)c(C)c1[O-] ZINC001198697145 874561731 /nfs/dbraw/zinc/56/17/31/874561731.db2.gz UMSQFDMRAPEORU-UHFFFAOYSA-N -1 3 377.400 3.791 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3c(c2)CCCC3=O)c(C)c1[O-] ZINC001198906483 874724070 /nfs/dbraw/zinc/72/40/70/874724070.db2.gz JIIVIDKHEOXYIU-UHFFFAOYSA-N -1 3 392.411 3.520 20 30 GHEDHM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000770845833 874883994 /nfs/dbraw/zinc/88/39/94/874883994.db2.gz DZJYOGUERIWSIC-OAHLLOKOSA-N -1 3 378.819 3.795 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000776273574 876136265 /nfs/dbraw/zinc/13/62/65/876136265.db2.gz IPFFUUMIXXLYGU-VIFPVBQESA-N -1 3 379.199 3.755 20 30 GHEDHM CCOc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000551671548 877610148 /nfs/dbraw/zinc/61/01/48/877610148.db2.gz AIPLEAZPTWMUIO-UHFFFAOYSA-N -1 3 387.867 3.577 20 30 GHEDHM COc1ccc(Br)c(CNN=Cc2cc(Cl)c([O-])c(OC)c2)c1 ZINC000788725713 878278526 /nfs/dbraw/zinc/27/85/26/878278526.db2.gz JSOKQANVKPJIPZ-UHFFFAOYSA-N -1 3 399.672 3.949 20 30 GHEDHM COC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c(Br)c1 ZINC000789130291 878614966 /nfs/dbraw/zinc/61/49/66/878614966.db2.gz NFDNRPBXNVOAIV-ALCCZGGFSA-N -1 3 391.217 3.846 20 30 GHEDHM CC[C@@H]([N-]C(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)F ZINC000452267217 879232352 /nfs/dbraw/zinc/23/23/52/879232352.db2.gz UPGKVELKSUTKSO-SKDRFNHKSA-N -1 3 378.263 3.582 20 30 GHEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000286109665 912572181 /nfs/dbraw/zinc/57/21/81/912572181.db2.gz WAQMJTQFCBAJRO-ZETCQYMHSA-N -1 3 392.202 3.684 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000859477562 883839358 /nfs/dbraw/zinc/83/93/58/883839358.db2.gz FDHLNGPEDPOYFU-QGZVFWFLSA-N -1 3 390.480 3.508 20 30 GHEDHM N#CCCN(C(=O)COC(=O)c1cc2ccsc2[n-]1)c1cccc(Cl)c1 ZINC000914891773 885119188 /nfs/dbraw/zinc/11/91/88/885119188.db2.gz STBODESDRZXCFE-UHFFFAOYSA-N -1 3 387.848 3.986 20 30 GHEDHM COc1cccc2c(C(=O)OCc3ccc(C#N)cc3Br)n[n-]c21 ZINC000808673812 886670028 /nfs/dbraw/zinc/67/00/28/886670028.db2.gz JNWSZHPFQHHSRF-UHFFFAOYSA-N -1 3 386.205 3.563 20 30 GHEDHM COc1cccc2c(C(=O)OCc3ccc(C#N)cc3Br)[n-]nc21 ZINC000808673812 886670036 /nfs/dbraw/zinc/67/00/36/886670036.db2.gz JNWSZHPFQHHSRF-UHFFFAOYSA-N -1 3 386.205 3.563 20 30 GHEDHM O=C(Cc1cc(F)cc2c1OCOC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184234749 913092226 /nfs/dbraw/zinc/09/22/26/913092226.db2.gz CHAMPCVFJIWCSR-UHFFFAOYSA-N -1 3 386.206 3.960 20 30 GHEDHM CCCCN([O-])C(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001184315218 913122366 /nfs/dbraw/zinc/12/23/66/913122366.db2.gz VHCMNFKSOAOOQE-INIZCTEOSA-N -1 3 376.453 3.887 20 30 GHEDHM CC[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC[C@@H]1c1ccccc1 ZINC000173529510 887352167 /nfs/dbraw/zinc/35/21/67/887352167.db2.gz GQCOTLNJAFITPU-RXVVDRJESA-N -1 3 391.515 3.838 20 30 GHEDHM Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001184293171 913143436 /nfs/dbraw/zinc/14/34/36/913143436.db2.gz HYVVJXHSCPYTNR-OAQYLSRUSA-N -1 3 380.488 3.840 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000763096438 887640516 /nfs/dbraw/zinc/64/05/16/887640516.db2.gz IMYHPOYOQOJWKU-CHOFVFFHSA-N -1 3 399.491 3.793 20 30 GHEDHM C#CCOc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1OCC ZINC000763105070 887667084 /nfs/dbraw/zinc/66/70/84/887667084.db2.gz NBZMTAKLHAXBRN-CLFYSBASSA-N -1 3 382.412 3.716 20 30 GHEDHM C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809768788 887759346 /nfs/dbraw/zinc/75/93/46/887759346.db2.gz ATVLSNGWFWEHDG-MPGHIAIKSA-N -1 3 397.441 3.647 20 30 GHEDHM N#Cc1ccnc(N2CCC[C@@H](OC(=O)c3cc4cc(Cl)sc4[n-]3)C2)c1 ZINC000810715039 888788871 /nfs/dbraw/zinc/78/88/71/888788871.db2.gz VALXWCSOMGIATP-CYBMUJFWSA-N -1 3 386.864 3.975 20 30 GHEDHM COc1cc(C=NN2C(=S)N=NC2c2ccccc2F)cc(Cl)c1[O-] ZINC000916320111 888922897 /nfs/dbraw/zinc/92/28/97/888922897.db2.gz ZSJNFMLJEBASCC-UHFFFAOYSA-N -1 3 378.816 3.623 20 30 GHEDHM Cc1cc(C)c(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1C ZINC000916321349 888922916 /nfs/dbraw/zinc/92/29/16/888922916.db2.gz WASJPUFZMWNGLI-SFHVURJKSA-N -1 3 380.473 3.887 20 30 GHEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000796096960 913300372 /nfs/dbraw/zinc/30/03/72/913300372.db2.gz JPMMAYBNWJKLRG-OAHLLOKOSA-N -1 3 396.281 3.501 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000811188088 889273641 /nfs/dbraw/zinc/27/36/41/889273641.db2.gz UYRDLBHZFPOLGT-VIFPVBQESA-N -1 3 379.199 3.755 20 30 GHEDHM N#CC1(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCCCC1 ZINC000871315093 890748882 /nfs/dbraw/zinc/74/88/82/890748882.db2.gz WEYGXZRYYHLESU-CQSZACIVSA-N -1 3 393.409 3.659 20 30 GHEDHM C=C(C)[C@H](CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)OCC ZINC000871316203 890751724 /nfs/dbraw/zinc/75/17/24/890751724.db2.gz RWQDSLYZEUDLFA-PBHICJAKSA-N -1 3 398.425 3.557 20 30 GHEDHM CC[C@H](C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000778297350 894149702 /nfs/dbraw/zinc/14/97/02/894149702.db2.gz HUPKHLIJXWBEQD-FZMZJTMJSA-N -1 3 388.855 3.786 20 30 GHEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)nc1 ZINC000815910447 894286740 /nfs/dbraw/zinc/28/67/40/894286740.db2.gz YCXXXFBDBNSDDX-KSSFIOAISA-N -1 3 393.443 3.733 20 30 GHEDHM N#CCc1ccc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)cc1 ZINC001135642412 894970460 /nfs/dbraw/zinc/97/04/60/894970460.db2.gz GHVGAGZUHHHJLG-UHFFFAOYSA-N -1 3 387.317 3.745 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)ccc1Cl ZINC001185530263 913942976 /nfs/dbraw/zinc/94/29/76/913942976.db2.gz WFDZSOFMKKLKRF-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM CCCCOc1ccc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC001185559556 913953510 /nfs/dbraw/zinc/95/35/10/913953510.db2.gz JXPAZRYDMHVVLC-ZDUSSCGKSA-N -1 3 394.518 3.847 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(Cl)c1OC ZINC000826178906 895788965 /nfs/dbraw/zinc/78/89/65/895788965.db2.gz QHIIMEGTWHJZHF-ZZXKWVIFSA-N -1 3 388.786 3.573 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc(Cl)c1OC ZINC000826178906 895788983 /nfs/dbraw/zinc/78/89/83/895788983.db2.gz QHIIMEGTWHJZHF-ZZXKWVIFSA-N -1 3 388.786 3.573 20 30 GHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)COc1ccccc1Br ZINC000130106228 896980857 /nfs/dbraw/zinc/98/08/57/896980857.db2.gz FVGIUYPFICNZHV-UJHWAJGWSA-N -1 3 384.657 3.667 20 30 GHEDHM CSc1nccn1-c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429557523 898172488 /nfs/dbraw/zinc/17/24/88/898172488.db2.gz CFRHLFHOLANYPN-HNNXBMFYSA-N -1 3 388.456 3.664 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823894380 899308754 /nfs/dbraw/zinc/30/87/54/899308754.db2.gz OPXLCHRYTUAURI-CQSZACIVSA-N -1 3 381.436 3.513 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823894380 899308768 /nfs/dbraw/zinc/30/87/68/899308768.db2.gz OPXLCHRYTUAURI-CQSZACIVSA-N -1 3 381.436 3.513 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1cccs1 ZINC000885263078 900446656 /nfs/dbraw/zinc/44/66/56/900446656.db2.gz KIMQCYDXKQBSGT-OAQYLSRUSA-N -1 3 383.517 3.894 20 30 GHEDHM C#CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCc2ccccc21 ZINC000887234447 901614223 /nfs/dbraw/zinc/61/42/23/901614223.db2.gz VPJOVMCXLOQCQN-QFIPXVFZSA-N -1 3 387.483 3.748 20 30 GHEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)n1ccc2ccccc2c1=O ZINC000845844560 902409525 /nfs/dbraw/zinc/40/95/25/902409525.db2.gz SEMMIPPYZFUUJJ-JXFKEZNVSA-N -1 3 384.435 3.572 20 30 GHEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001146478492 903550489 /nfs/dbraw/zinc/55/04/89/903550489.db2.gz SJBYWEBHXPIHSD-UHFFFAOYSA-N -1 3 384.929 3.920 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1CC(F)(F)F ZINC000174453436 905274985 /nfs/dbraw/zinc/27/49/85/905274985.db2.gz GWKZGOLGMUWRSQ-UHFFFAOYSA-N -1 3 377.366 3.540 20 30 GHEDHM CCCCCCCCc1nnc(NC(=O)c2c(C)[n-]c(=O)nc2SC)s1 ZINC000176090715 905750628 /nfs/dbraw/zinc/75/06/28/905750628.db2.gz VHPRUJRKNATFFJ-UHFFFAOYSA-N -1 3 395.554 3.807 20 30 GHEDHM N#CC(=C([O-])c1cccc(NC(=O)c2ccco2)c1)c1cnc2ccccc2n1 ZINC000190979239 906498788 /nfs/dbraw/zinc/49/87/88/906498788.db2.gz RQXIULPEHWSEGA-MRXNPFEDSA-N -1 3 382.379 3.965 20 30 GHEDHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001175581032 907643900 /nfs/dbraw/zinc/64/39/00/907643900.db2.gz ZSRIWSMGRSPETE-FQEVSTJZSA-N -1 3 387.405 3.868 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H](/N=C\c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000779708423 908224853 /nfs/dbraw/zinc/22/48/53/908224853.db2.gz WPPYDDGNGUCLFB-SLCIXIPPSA-N -1 3 398.260 3.641 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C(C)(C)C ZINC000193476542 908423542 /nfs/dbraw/zinc/42/35/42/908423542.db2.gz KRXZLDCYNWQZSN-GFCCVEGCSA-N -1 3 376.819 3.700 20 30 GHEDHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000266997272 909362421 /nfs/dbraw/zinc/36/24/21/909362421.db2.gz FDIFHXCJDRKZOP-MRXNPFEDSA-N -1 3 397.500 3.618 20 30 GHEDHM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)c(OC)c1 ZINC001190972939 917675867 /nfs/dbraw/zinc/67/58/67/917675867.db2.gz NGHGXGYMTHYFRG-UHFFFAOYSA-N -1 3 387.244 3.683 20 30 GHEDHM C=CCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccco1 ZINC000363097840 917767471 /nfs/dbraw/zinc/76/74/71/917767471.db2.gz MLSUTAHTMOGNSP-UHFFFAOYSA-N -1 3 381.417 3.772 20 30 GHEDHM CCCc1c(C(=O)N([O-])C(=N)c2ccccc2N)cnn1-c1ccc(Cl)cc1 ZINC001191985832 918324237 /nfs/dbraw/zinc/32/42/37/918324237.db2.gz UYKBXDUJKSYVKB-UHFFFAOYSA-N -1 3 397.866 3.917 20 30 GHEDHM N#Cc1cccc(NC(=O)Nc2ccc([O-])c(I)c2)c1 ZINC001202788310 919433570 /nfs/dbraw/zinc/43/35/70/919433570.db2.gz ZQODRZQEIWVPOW-UHFFFAOYSA-N -1 3 379.157 3.512 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1C(F)(F)F ZINC000298339237 920420243 /nfs/dbraw/zinc/42/02/43/920420243.db2.gz CPYVNBISDXZJSY-UHFFFAOYSA-N -1 3 377.366 3.544 20 30 GHEDHM COc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1NC(=O)OC(C)(C)C ZINC000298670574 920786513 /nfs/dbraw/zinc/78/65/13/920786513.db2.gz UFVPUENCRGNTSM-LSHDLFTRSA-N -1 3 387.436 3.694 20 30 GHEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000901369947 921046780 /nfs/dbraw/zinc/04/67/80/921046780.db2.gz LTBBZXMYADWVSG-CQSZACIVSA-N -1 3 387.432 3.559 20 30 GHEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc(Br)c1OC ZINC000901371587 921048275 /nfs/dbraw/zinc/04/82/75/921048275.db2.gz FKMLTXSRZMEJHC-UHFFFAOYSA-N -1 3 384.201 3.637 20 30 GHEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)COC(=O)c2ccc([O-])cc2)c1C#N ZINC000008524159 921920776 /nfs/dbraw/zinc/92/07/76/921920776.db2.gz OCJHUICYANVGLX-UHFFFAOYSA-N -1 3 395.459 3.983 20 30 GHEDHM COc1cc(C=NN[C@@H](C)CCc2ccc3c(c2)OCO3)cc(Cl)c1[O-] ZINC000802715236 922354470 /nfs/dbraw/zinc/35/44/70/922354470.db2.gz YHPQNIZGLGVKHF-LBPRGKRZSA-N -1 3 376.840 3.728 20 30 GHEDHM Cc1oc(-c2cccs2)nc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000010717827 924347170 /nfs/dbraw/zinc/34/71/70/924347170.db2.gz YARMQFCWKMXDPJ-UHFFFAOYSA-N -1 3 397.456 3.564 20 30 GHEDHM C=CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412992034 928081944 /nfs/dbraw/zinc/08/19/44/928081944.db2.gz LFBHTTLGMIOUBE-UHFFFAOYSA-N -1 3 379.489 3.720 20 30 GHEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F ZINC000470613573 930751145 /nfs/dbraw/zinc/75/11/45/930751145.db2.gz QRQFSRTXFLJJQC-UHFFFAOYSA-N -1 3 378.812 3.884 20 30 GHEDHM C=CCn1c(=O)[n-]nc1SCc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000470817784 930936985 /nfs/dbraw/zinc/93/69/85/930936985.db2.gz SEWHVZNVPSFHSY-UHFFFAOYSA-N -1 3 393.472 3.810 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccc2cnccc2c1 ZINC000782151893 931101921 /nfs/dbraw/zinc/10/19/21/931101921.db2.gz JOGDGPZRKAGPMY-GOSISDBHSA-N -1 3 389.440 3.510 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc2cnccc2c1 ZINC000782151894 931101960 /nfs/dbraw/zinc/10/19/60/931101960.db2.gz JOGDGPZRKAGPMY-SFHVURJKSA-N -1 3 389.440 3.510 20 30 GHEDHM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796744106 932050755 /nfs/dbraw/zinc/05/07/55/932050755.db2.gz DAMMVSGOQJRYMW-GOEBONIOSA-N -1 3 383.473 3.615 20 30 GHEDHM CN1CCC(=O)Nc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc21 ZINC000797571650 932331733 /nfs/dbraw/zinc/33/17/33/932331733.db2.gz TZWZRUZQVVWQNN-ZDUSSCGKSA-N -1 3 382.489 3.709 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSc1cc(F)ccc1F ZINC000797942567 932465607 /nfs/dbraw/zinc/46/56/07/932465607.db2.gz GDTDJUCPWZSKNN-LJTDUEICSA-N -1 3 388.395 3.927 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000561752098 934420460 /nfs/dbraw/zinc/42/04/60/934420460.db2.gz FELCVDZFJADUSE-VQTJNVASSA-N -1 3 393.487 3.571 20 30 GHEDHM C[C@@H]1CCc2nc([N-]C(=O)c3scnc3Br)c(C#N)cc2C1 ZINC001121265868 934607106 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ZINC001573335562 947481695 /nfs/dbraw/zinc/48/16/95/947481695.db2.gz AONISKJELNZEML-UHFFFAOYSA-N -1 3 387.484 3.746 20 30 GHEDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC001594568856 986374032 /nfs/dbraw/zinc/37/40/32/986374032.db2.gz KTWLJWXSSHOKPM-QGZVFWFLSA-N -1 3 375.472 3.651 20 30 GHEDHM N#CC(=C([O-])c1ccc(SCc2cn3ccccc3n2)cc1)c1ccncn1 ZINC000545445872 1015878325 /nfs/dbraw/zinc/87/83/25/1015878325.db2.gz OGRXPZWBERTNKV-GOSISDBHSA-N -1 3 385.452 3.907 20 30 GHEDHM Cc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc(-c2ccncc2)n1 ZINC001155914733 1032791540 /nfs/dbraw/zinc/79/15/40/1032791540.db2.gz XBNQSVPIJSBGRG-UHFFFAOYSA-N -1 3 389.337 3.994 20 30 GHEDHM N#Cc1c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncc2c1CCCC2 ZINC001155914703 1032791758 /nfs/dbraw/zinc/79/17/58/1032791758.db2.gz LNYZCJOWQPNMSX-UHFFFAOYSA-N -1 3 376.338 3.979 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)cc1 ZINC000158758242 1020027713 /nfs/dbraw/zinc/02/77/13/1020027713.db2.gz 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N#Cc1cncc([N-]c2nc3c(Br)ccc(C(F)(F)F)n3n2)c1 ZINC001210085493 1027337698 /nfs/dbraw/zinc/33/76/98/1027337698.db2.gz XVQRVLBGKDSRSS-UHFFFAOYSA-N -1 3 383.131 3.521 20 30 GHEDHM COCC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(C(F)(F)F)c1 ZINC000840708879 1027749990 /nfs/dbraw/zinc/74/99/90/1027749990.db2.gz JLJNEUSIPDSHEH-FRRODPEASA-N -1 3 382.382 3.803 20 30 GHEDHM Cc1cccc(Oc2ccc(Cl)cc2NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC001214189603 1028588881 /nfs/dbraw/zinc/58/88/81/1028588881.db2.gz CSCPZKQZAJXRAA-HNNXBMFYSA-N -1 3 389.839 3.942 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)cc1Cl ZINC001216014400 1029493308 /nfs/dbraw/zinc/49/33/08/1029493308.db2.gz LKMJZHYOZTYMRJ-UHFFFAOYSA-N -1 3 384.186 3.762 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)cc1Cl ZINC001216014400 1029493312 /nfs/dbraw/zinc/49/33/12/1029493312.db2.gz LKMJZHYOZTYMRJ-UHFFFAOYSA-N -1 3 384.186 3.762 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3cccnc3s2)c(C)c1[O-] ZINC001149535316 1030214790 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CC(=O)N[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC001161801678 1035304975 /nfs/dbraw/zinc/30/49/75/1035304975.db2.gz AIUNIYFLLIBPSD-KRWDZBQOSA-N -1 3 381.259 3.979 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2cc(F)ccc2F)c(C)c1[O-] ZINC001248593663 1035978173 /nfs/dbraw/zinc/97/81/73/1035978173.db2.gz ISTAZYWLIOMCIF-UHFFFAOYSA-N -1 3 391.399 3.836 20 30 GHEDHM N#Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c([O-])c1 ZINC001233387027 1039210634 /nfs/dbraw/zinc/21/06/34/1039210634.db2.gz QWRCYNRPIDDMAU-UHFFFAOYSA-N -1 3 379.357 3.744 20 30 GHEDHM N#CC=C([O-])c1ccccc1OC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001233528104 1039414807 /nfs/dbraw/zinc/41/48/07/1039414807.db2.gz DKEDXGUDJGVJLW-UHFFFAOYSA-N -1 3 383.379 3.878 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001233799050 1039625277 /nfs/dbraw/zinc/62/52/77/1039625277.db2.gz DPUDXQDALHNTIX-MZXRFGACSA-N -1 3 378.469 3.918 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1OC1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC001233801376 1039627356 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3.919 20 30 GHEDHM N#CCCCOc1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001291745243 1043438988 /nfs/dbraw/zinc/43/89/88/1043438988.db2.gz IULKNKCWYTYDHE-UHFFFAOYSA-N -1 3 383.354 3.741 20 30 GHEDHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nc(Cc2ccccc2)no1 ZINC001294491404 1044662597 /nfs/dbraw/zinc/66/25/97/1044662597.db2.gz GVWLHTJRKZHIEZ-ZDUSSCGKSA-N -1 3 382.370 3.501 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2Cl)c(OC)c1 ZINC001258961590 1044908734 /nfs/dbraw/zinc/90/87/34/1044908734.db2.gz UQJBBCCBDCOOMD-UHFFFAOYSA-N -1 3 387.244 3.683 20 30 GHEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC001259235255 1045032136 /nfs/dbraw/zinc/03/21/36/1045032136.db2.gz LUDKDKYISNMCCY-UHFFFAOYSA-N -1 3 378.957 3.906 20 30 GHEDHM COc1ccc(OCCCS(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2F)cc1 ZINC001259648692 1045258432 /nfs/dbraw/zinc/25/84/32/1045258432.db2.gz GEZKWTIISYNWDT-UHFFFAOYSA-N -1 3 398.843 3.570 20 30 GHEDHM CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001298543767 1045863905 /nfs/dbraw/zinc/86/39/05/1045863905.db2.gz WNHLQOSIGVJABZ-HCXLPNBHSA-N -1 3 397.302 3.688 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001263305117 1046703525 /nfs/dbraw/zinc/70/35/25/1046703525.db2.gz RLIJFWMGSFGFHJ-QGZVFWFLSA-N -1 3 385.851 3.880 20 30 GHEDHM C=CCC[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC001306892809 1048947800 /nfs/dbraw/zinc/94/78/00/1048947800.db2.gz MYBXKMIBXQFQHM-SFHVURJKSA-N -1 3 392.455 3.641 20 30 GHEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC001309847442 1051002986 /nfs/dbraw/zinc/00/29/86/1051002986.db2.gz VOCWUTRYSODILX-DYVFJYSZSA-N -1 3 388.445 3.523 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CCCCC2)c1 ZINC001343443204 1053773735 /nfs/dbraw/zinc/77/37/35/1053773735.db2.gz PUQMNBZNEOPLIL-KRWDZBQOSA-N -1 3 380.448 3.748 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CCCCC2)c1 ZINC001343443205 1053773990 /nfs/dbraw/zinc/77/39/90/1053773990.db2.gz PUQMNBZNEOPLIL-QGZVFWFLSA-N -1 3 380.448 3.748 20 30 GHEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n(-c2cccc(C)c2)n1 ZINC001317754702 1054247224 /nfs/dbraw/zinc/24/72/24/1054247224.db2.gz SPPRCTIUANFGOQ-UHFFFAOYSA-N -1 3 389.459 3.650 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccccc1 ZINC001321483031 1056285937 /nfs/dbraw/zinc/28/59/37/1056285937.db2.gz WGUALSHFZPEGBC-KRWDZBQOSA-N -1 3 395.484 3.590 20 30 GHEDHM C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000848291273 1056976284 /nfs/dbraw/zinc/97/62/84/1056976284.db2.gz OWTCZVNKYQZTGH-SFHVURJKSA-N -1 3 396.512 3.590 20 30 GHEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(C)(C)C#N)cc3)nc21 ZINC001440001332 1058382368 /nfs/dbraw/zinc/38/23/68/1058382368.db2.gz ZQLBVUVAKNUYSJ-UHFFFAOYSA-N -1 3 376.416 3.793 20 30 GHEDHM Cc1ncccc1C=Nn1c(-c2ccc(O)cc2[O-])csc1=NC(C)(C)C ZINC001338544762 1058629075 /nfs/dbraw/zinc/62/90/75/1058629075.db2.gz YUDFFMMKDNSWKZ-UHFFFAOYSA-N -1 3 382.489 3.913 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC001448845349 1060281356 /nfs/dbraw/zinc/28/13/56/1060281356.db2.gz NWICNHDACKNARV-CQSZACIVSA-N -1 3 384.461 3.779 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 ZINC001342187400 1061117634 /nfs/dbraw/zinc/11/76/34/1061117634.db2.gz JZIAKJOGGVIQCO-QGZVFWFLSA-N -1 3 381.436 3.565 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccccc1SC ZINC001345973286 1061255762 /nfs/dbraw/zinc/25/57/62/1061255762.db2.gz IGZRDTUOTADFPU-UHFFFAOYSA-N -1 3 396.520 3.684 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)n(C)n1 ZINC001346228280 1061463269 /nfs/dbraw/zinc/46/32/69/1061463269.db2.gz HMCUQOBUBNEOEH-CYBMUJFWSA-N -1 3 392.381 3.525 20 30 GHEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc(Br)cc2)c(F)c1 ZINC001456097419 1062481040 /nfs/dbraw/zinc/48/10/40/1062481040.db2.gz JZAOXGXBRVALOA-UHFFFAOYSA-N -1 3 383.167 3.868 20 30 GHEDHM C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC001457017054 1062949693 /nfs/dbraw/zinc/94/96/93/1062949693.db2.gz MWCXTWNGBVVPPB-UHFFFAOYSA-N -1 3 394.427 3.860 20 30 GHEDHM O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000849170130 1067751429 /nfs/dbraw/zinc/75/14/29/1067751429.db2.gz LLXPTIGJBCIXIQ-UUYOSTAYSA-N -1 3 388.855 3.680 20 30 GHEDHM COc1ccc(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2[O-])cc1C#N ZINC001471301536 1073005912 /nfs/dbraw/zinc/00/59/12/1073005912.db2.gz HZMBIPRAKOZPHG-UHFFFAOYSA-N -1 3 389.415 3.675 20 30 GHEDHM O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N([O-])Cc1ccccc1Cl ZINC001472618649 1073579314 /nfs/dbraw/zinc/57/93/14/1073579314.db2.gz BGCMDQOVEBQWIT-UHFFFAOYSA-N -1 3 397.862 3.808 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N([O-])Cc3cccc4ccccc43)[C@H]2C1 ZINC001472622387 1073582088 /nfs/dbraw/zinc/58/20/88/1073582088.db2.gz JXRLRZKTWIEZSL-BWTSREIZSA-N -1 3 382.460 3.671 20 30 GHEDHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001474847008 1074591011 /nfs/dbraw/zinc/59/10/11/1074591011.db2.gz OFYNXQVPRJLHSS-LLVKDONJSA-N -1 3 390.461 3.960 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000737730636 598926353 /nfs/dbraw/zinc/92/63/53/598926353.db2.gz ONUKIHCOVYAKIF-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000737730636 598926354 /nfs/dbraw/zinc/92/63/54/598926354.db2.gz ONUKIHCOVYAKIF-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCCCC2)cc1-c1nnn[n-]1 ZINC000737719297 598928469 /nfs/dbraw/zinc/92/84/69/598928469.db2.gz SNDWBSYBDOCOIG-UHFFFAOYSA-N -1 3 390.422 3.718 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCCCC2)cc1-c1nn[n-]n1 ZINC000737719297 598928470 /nfs/dbraw/zinc/92/84/70/598928470.db2.gz SNDWBSYBDOCOIG-UHFFFAOYSA-N -1 3 390.422 3.718 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc3cc(F)ccc3o2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201628 599156098 /nfs/dbraw/zinc/15/60/98/599156098.db2.gz FGUMDTVCTRFINI-AATRIKPKSA-N -1 3 377.379 3.704 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc3cc(F)ccc3o2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201628 599156100 /nfs/dbraw/zinc/15/61/00/599156100.db2.gz FGUMDTVCTRFINI-AATRIKPKSA-N -1 3 377.379 3.704 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C)cc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737330266 599158195 /nfs/dbraw/zinc/15/81/95/599158195.db2.gz PXZOQRNJVRSIBF-FLIBITNWSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737345512 599158434 /nfs/dbraw/zinc/15/84/34/599158434.db2.gz SKTFULHQUIIMOP-POHAHGRESA-N -1 3 388.406 3.704 20 30 GHEDHM CCC[C@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736416086 599200137 /nfs/dbraw/zinc/20/01/37/599200137.db2.gz KJOAPRGQECKSJU-CYBMUJFWSA-N -1 3 396.838 3.734 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CCC)c1ccccn1 ZINC000735420357 598269759 /nfs/dbraw/zinc/26/97/59/598269759.db2.gz OZHDTOQCDJBTFH-LJQANCHMSA-N -1 3 391.479 3.501 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CCC)c1ccccn1 ZINC000735420357 598269760 /nfs/dbraw/zinc/26/97/60/598269760.db2.gz OZHDTOQCDJBTFH-LJQANCHMSA-N -1 3 391.479 3.501 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201352 598377271 /nfs/dbraw/zinc/37/72/71/598377271.db2.gz CWDMIYYOJMPMAN-TWGQIWQCSA-N -1 3 387.365 3.838 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201352 598377273 /nfs/dbraw/zinc/37/72/73/598377273.db2.gz CWDMIYYOJMPMAN-TWGQIWQCSA-N -1 3 387.365 3.838 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc2c1ccn2C ZINC000735421433 598412500 /nfs/dbraw/zinc/41/25/00/598412500.db2.gz ZMTOFFOJEMOLMU-UHFFFAOYSA-N -1 3 387.447 3.579 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc2c1ccn2C ZINC000735421433 598412502 /nfs/dbraw/zinc/41/25/02/598412502.db2.gz ZMTOFFOJEMOLMU-UHFFFAOYSA-N -1 3 387.447 3.579 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737348297 598420034 /nfs/dbraw/zinc/42/00/34/598420034.db2.gz WIRLJNDZYFHEMB-HNNXBMFYSA-N -1 3 392.488 3.603 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737348297 598420035 /nfs/dbraw/zinc/42/00/35/598420035.db2.gz WIRLJNDZYFHEMB-HNNXBMFYSA-N -1 3 392.488 3.603 20 30 GHEDHM N#CCc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737696905 598555385 /nfs/dbraw/zinc/55/53/85/598555385.db2.gz AVGXLHJFABNHGP-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737696905 598555387 /nfs/dbraw/zinc/55/53/87/598555387.db2.gz AVGXLHJFABNHGP-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735975044 598557567 /nfs/dbraw/zinc/55/75/67/598557567.db2.gz LXSRBPMGHKWCJH-AWEZNQCLSA-N -1 3 380.477 3.752 20 30 GHEDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(C)n1-c1ccc(C#N)cc1 ZINC000737293659 598612214 /nfs/dbraw/zinc/61/22/14/598612214.db2.gz HICDWIXHMYBWAY-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(C)n1-c1ccc(C#N)cc1 ZINC000737293659 598612216 /nfs/dbraw/zinc/61/22/16/598612216.db2.gz HICDWIXHMYBWAY-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000735420709 598633012 /nfs/dbraw/zinc/63/30/12/598633012.db2.gz QRYTYMOSWVITJP-IEBWSBKVSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000735420709 598633015 /nfs/dbraw/zinc/63/30/15/598633015.db2.gz QRYTYMOSWVITJP-IEBWSBKVSA-N -1 3 382.512 3.923 20 30 GHEDHM CCc1cccc2c(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)c[nH]c21 ZINC000736696154 598639132 /nfs/dbraw/zinc/63/91/32/598639132.db2.gz VVYLOAVFGHTKHE-MDZDMXLPSA-N -1 3 386.459 3.863 20 30 GHEDHM CCc1cccc2c(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)c[nH]c21 ZINC000736696154 598639133 /nfs/dbraw/zinc/63/91/33/598639133.db2.gz VVYLOAVFGHTKHE-MDZDMXLPSA-N -1 3 386.459 3.863 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)c(Cl)c1 ZINC000737804971 599459141 /nfs/dbraw/zinc/45/91/41/599459141.db2.gz FEFVJWAGXAUTTN-HYXAFXHYSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)c(Cl)c1 ZINC000737804971 599459143 /nfs/dbraw/zinc/45/91/43/599459143.db2.gz FEFVJWAGXAUTTN-HYXAFXHYSA-N -1 3 385.214 3.717 20 30 GHEDHM C[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820689887 599620555 /nfs/dbraw/zinc/62/05/55/599620555.db2.gz DGTZSZLGBYRPRU-KCXAZCMYSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820689887 599620556 /nfs/dbraw/zinc/62/05/56/599620556.db2.gz DGTZSZLGBYRPRU-KCXAZCMYSA-N -1 3 392.488 3.993 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000819744093 599677740 /nfs/dbraw/zinc/67/77/40/599677740.db2.gz WDIVQDOMXLTNBV-JENIJYKNSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000819744093 599677741 /nfs/dbraw/zinc/67/77/41/599677741.db2.gz WDIVQDOMXLTNBV-JENIJYKNSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819733957 607388756 /nfs/dbraw/zinc/38/87/56/607388756.db2.gz FZVCFKBGXXDJBW-KXBFYZLASA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733957 607388758 /nfs/dbraw/zinc/38/87/58/607388758.db2.gz FZVCFKBGXXDJBW-KXBFYZLASA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733850 607390434 /nfs/dbraw/zinc/39/04/34/607390434.db2.gz CPMNQHGKMDKIKY-DNVCBOLYSA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733850 607390435 /nfs/dbraw/zinc/39/04/35/607390435.db2.gz CPMNQHGKMDKIKY-DNVCBOLYSA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000819733786 607391573 /nfs/dbraw/zinc/39/15/73/607391573.db2.gz BHIVOYYVQGSIKE-GOSISDBHSA-N -1 3 380.427 3.513 20 30 GHEDHM C=CCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819733786 607391575 /nfs/dbraw/zinc/39/15/75/607391575.db2.gz BHIVOYYVQGSIKE-GOSISDBHSA-N -1 3 380.427 3.513 20 30 GHEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F)CCC3 ZINC000823505145 607462501 /nfs/dbraw/zinc/46/25/01/607462501.db2.gz XWQFQSNOJIARGL-OVCLIPMQSA-N -1 3 376.391 3.543 20 30 GHEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F)CCC3 ZINC000823505145 607462503 /nfs/dbraw/zinc/46/25/03/607462503.db2.gz XWQFQSNOJIARGL-OVCLIPMQSA-N -1 3 376.391 3.543 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740277694 602670114 /nfs/dbraw/zinc/67/01/14/602670114.db2.gz MFQHALLNOCQBHA-CVEARBPZSA-N -1 3 376.416 3.539 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000826847393 604220942 /nfs/dbraw/zinc/22/09/42/604220942.db2.gz IGAKZIIZBCGFMV-KBAYOESNSA-N -1 3 385.464 3.503 20 30 GHEDHM N#Cc1ccccc1C=CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826387020 607769657 /nfs/dbraw/zinc/76/96/57/607769657.db2.gz CMPNMGOFFLLOOC-HJWRWDBZSA-N -1 3 399.439 3.514 20 30 GHEDHM N#Cc1ccccc1C=CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826387020 607769658 /nfs/dbraw/zinc/76/96/58/607769658.db2.gz CMPNMGOFFLLOOC-HJWRWDBZSA-N -1 3 399.439 3.514 20 30 GHEDHM Cc1nnc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c(C#N)c1C ZINC000822516359 606241735 /nfs/dbraw/zinc/24/17/35/606241735.db2.gz XAUZHKIOLLYMPC-UHFFFAOYSA-N -1 3 385.387 3.730 20 30 GHEDHM Cc1nnc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c(C#N)c1C ZINC000822516359 606241736 /nfs/dbraw/zinc/24/17/36/606241736.db2.gz XAUZHKIOLLYMPC-UHFFFAOYSA-N -1 3 385.387 3.730 20 30 GHEDHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2c1 ZINC000822280553 606255034 /nfs/dbraw/zinc/25/50/34/606255034.db2.gz RMRBIKSPXXWPEX-UHFFFAOYSA-N -1 3 395.426 3.725 20 30 GHEDHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2c1 ZINC000822280553 606255036 /nfs/dbraw/zinc/25/50/36/606255036.db2.gz RMRBIKSPXXWPEX-UHFFFAOYSA-N -1 3 395.426 3.725 20 30 GHEDHM C[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494476 606354932 /nfs/dbraw/zinc/35/49/32/606354932.db2.gz APFBFFLBYVEAFE-OAHLLOKOSA-N -1 3 391.431 3.592 20 30 GHEDHM C[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494476 606354934 /nfs/dbraw/zinc/35/49/34/606354934.db2.gz APFBFFLBYVEAFE-OAHLLOKOSA-N -1 3 391.431 3.592 20 30 GHEDHM N#Cc1ccc(C=C2CSCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825678 606389537 /nfs/dbraw/zinc/38/95/37/606389537.db2.gz LEZRMSNHSZWMFF-JZKFVHIFSA-N -1 3 397.510 3.644 20 30 GHEDHM N#Cc1csc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822845921 606497606 /nfs/dbraw/zinc/49/76/06/606497606.db2.gz IUQNNYRLBMMERP-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1csc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822845921 606497608 /nfs/dbraw/zinc/49/76/08/606497608.db2.gz IUQNNYRLBMMERP-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000822823649 606557182 /nfs/dbraw/zinc/55/71/82/606557182.db2.gz WMWZHIMCZJSASS-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000822823649 606557183 /nfs/dbraw/zinc/55/71/83/606557183.db2.gz WMWZHIMCZJSASS-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM FC(F)(F)Oc1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822718935 607147734 /nfs/dbraw/zinc/14/77/34/607147734.db2.gz VVPGXZIKWNGWJW-UHFFFAOYSA-N -1 3 387.325 3.693 20 30 GHEDHM FC(F)(F)Oc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822718935 607147736 /nfs/dbraw/zinc/14/77/36/607147736.db2.gz VVPGXZIKWNGWJW-UHFFFAOYSA-N -1 3 387.325 3.693 20 30 GHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821109278 607201568 /nfs/dbraw/zinc/20/15/68/607201568.db2.gz FOXIEIXBYBJGEP-UHFFFAOYSA-N -1 3 395.854 3.836 20 30 GHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821109278 607201569 /nfs/dbraw/zinc/20/15/69/607201569.db2.gz FOXIEIXBYBJGEP-UHFFFAOYSA-N -1 3 395.854 3.836 20 30 GHEDHM CCN(CCC#N)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825419047 608057216 /nfs/dbraw/zinc/05/72/16/608057216.db2.gz FEEMDSABKWFPEL-UHFFFAOYSA-N -1 3 396.838 3.688 20 30 GHEDHM CCN(CCC#N)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825419047 608057217 /nfs/dbraw/zinc/05/72/17/608057217.db2.gz FEEMDSABKWFPEL-UHFFFAOYSA-N -1 3 396.838 3.688 20 30 GHEDHM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823963125 608091584 /nfs/dbraw/zinc/09/15/84/608091584.db2.gz VYFMRNSAAFEOAO-UHFFFAOYSA-N -1 3 387.778 3.832 20 30 GHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826395451 608288489 /nfs/dbraw/zinc/28/84/89/608288489.db2.gz BXLDPCCWUWVWKK-RQOWECAXSA-N -1 3 378.194 3.791 20 30 GHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826395451 608288491 /nfs/dbraw/zinc/28/84/91/608288491.db2.gz BXLDPCCWUWVWKK-RQOWECAXSA-N -1 3 378.194 3.791 20 30 GHEDHM C#CCCCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823837858 608293111 /nfs/dbraw/zinc/29/31/11/608293111.db2.gz HTVONBQKSNGSSA-UHFFFAOYSA-N -1 3 375.432 3.578 20 30 GHEDHM C#CCCCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823837858 608293112 /nfs/dbraw/zinc/29/31/12/608293112.db2.gz HTVONBQKSNGSSA-UHFFFAOYSA-N -1 3 375.432 3.578 20 30 GHEDHM N#Cc1cnc2ccccc2c1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387584 608442538 /nfs/dbraw/zinc/44/25/38/608442538.db2.gz DRARVJZYXRZBBW-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1cnc2ccccc2c1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387584 608442539 /nfs/dbraw/zinc/44/25/39/608442539.db2.gz DRARVJZYXRZBBW-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1-c1nnn[n-]1 ZINC000826384105 608546714 /nfs/dbraw/zinc/54/67/14/608546714.db2.gz HBVPZGQKYVGFLT-UHFFFAOYSA-N -1 3 392.728 3.663 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1-c1nn[n-]n1 ZINC000826384105 608546716 /nfs/dbraw/zinc/54/67/16/608546716.db2.gz HBVPZGQKYVGFLT-UHFFFAOYSA-N -1 3 392.728 3.663 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)c(F)c1 ZINC000826400535 608880147 /nfs/dbraw/zinc/88/01/47/608880147.db2.gz AWXVLOWLDHNBKC-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)c(F)c1 ZINC000826400535 608880148 /nfs/dbraw/zinc/88/01/48/608880148.db2.gz AWXVLOWLDHNBKC-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401459 609274646 /nfs/dbraw/zinc/27/46/46/609274646.db2.gz ZMKIJPNJELAILN-WDZFZDKYSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401459 609274647 /nfs/dbraw/zinc/27/46/47/609274647.db2.gz ZMKIJPNJELAILN-WDZFZDKYSA-N -1 3 377.423 3.892 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000823861403 609315882 /nfs/dbraw/zinc/31/58/82/609315882.db2.gz HDXMDOSFWHHNMH-UHFFFAOYSA-N -1 3 395.422 3.917 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000823861403 609315884 /nfs/dbraw/zinc/31/58/84/609315884.db2.gz HDXMDOSFWHHNMH-UHFFFAOYSA-N -1 3 395.422 3.917 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2S[C@@H](C)[C@@H]1C ZINC000176716876 837722787 /nfs/dbraw/zinc/72/27/87/837722787.db2.gz YJUSSFWDAHWSOR-GJZGRUSLSA-N -1 3 381.501 3.712 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCCCC1 ZINC000584145682 835691064 /nfs/dbraw/zinc/69/10/64/835691064.db2.gz LJGXBQXUFYMPPU-GFCCVEGCSA-N -1 3 391.718 3.853 20 30 GHEDHM N#Cc1ccc(F)c(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000053020103 835951598 /nfs/dbraw/zinc/95/15/98/835951598.db2.gz OOWYUZYWACXGFX-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1C ZINC000177596806 837989604 /nfs/dbraw/zinc/98/96/04/837989604.db2.gz UBIKWLDVODNIQN-ZDUSSCGKSA-N -1 3 392.431 3.819 20 30 GHEDHM C[C@@H]1C[C@@H](C)CN(c2ccc(C([O-])=C(C#N)c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000122657061 838032007 /nfs/dbraw/zinc/03/20/07/838032007.db2.gz PZZGBACKIKLIFA-INMHGKMJSA-N -1 3 378.432 3.962 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000728289870 839215677 /nfs/dbraw/zinc/21/56/77/839215677.db2.gz VHQULQMLECVGED-SNVBAGLBSA-N -1 3 382.391 3.643 20 30 GHEDHM C#Cc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)cn1 ZINC000728937193 844446496 /nfs/dbraw/zinc/44/64/96/844446496.db2.gz HCENDLFEIATVGB-NEPJUHHUSA-N -1 3 393.468 3.816 20 30 GHEDHM COc1cc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)cc(Cl)c1[O-] ZINC000255227025 840105791 /nfs/dbraw/zinc/10/57/91/840105791.db2.gz NKSQVCITMWOKIT-WAYWQWQTSA-N -1 3 391.826 3.926 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)Oc1ccc(Cl)cc1 ZINC000759877440 840297072 /nfs/dbraw/zinc/29/70/72/840297072.db2.gz APPJNQCRAXMYNK-LBPRGKRZSA-N -1 3 388.851 3.872 20 30 GHEDHM CCOc1cc(C=NNc2nc3ccccc3n2C)cc(Br)c1[O-] ZINC000728775774 840948098 /nfs/dbraw/zinc/94/80/98/840948098.db2.gz BXANARZPPJSTJR-UHFFFAOYSA-N -1 3 389.253 3.886 20 30 GHEDHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000417589895 841037811 /nfs/dbraw/zinc/03/78/11/841037811.db2.gz QQQXMZWJMHQNCP-INIZCTEOSA-N -1 3 378.350 3.891 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(Br)cc1 ZINC000432227452 841884259 /nfs/dbraw/zinc/88/42/59/841884259.db2.gz WZIBTJMMEQWNOY-OAHLLOKOSA-N -1 3 381.233 3.828 20 30 GHEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1F ZINC000121538908 842649366 /nfs/dbraw/zinc/64/93/66/842649366.db2.gz TYNFDGRPAUOXBQ-LBPRGKRZSA-N -1 3 390.798 3.766 20 30 GHEDHM N#Cc1ccc([N-]c2nc3c(Br)cc(C(F)(F)F)cn3n2)c(N)c1 ZINC001213355778 842824613 /nfs/dbraw/zinc/82/46/13/842824613.db2.gz WCSVLLINBZMDKM-UHFFFAOYSA-N -1 3 397.158 3.708 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCCCC1 ZINC000408228311 843339736 /nfs/dbraw/zinc/33/97/36/843339736.db2.gz XASRRMJQSMZRJB-UHFFFAOYSA-N -1 3 377.691 3.607 20 30 GHEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC000502781951 846483419 /nfs/dbraw/zinc/48/34/19/846483419.db2.gz PHCFTDTWJSQZCA-UHFFFAOYSA-N -1 3 384.244 3.624 20 30 GHEDHM CCc1nc(C)c(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)o1 ZINC000431396569 847076123 /nfs/dbraw/zinc/07/61/23/847076123.db2.gz OFIXWOYLNCSGCK-UHFFFAOYSA-N -1 3 385.474 3.813 20 30 GHEDHM O=C1[C@@H](/N=C\c2cc(Br)ccc2[O-])CCN1c1c(F)cccc1F ZINC000255520144 848028499 /nfs/dbraw/zinc/02/84/99/848028499.db2.gz RFBDXFZWXBKOQL-DGKJUAPTSA-N -1 3 395.203 3.657 20 30 GHEDHM C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000135660146 848300091 /nfs/dbraw/zinc/30/00/91/848300091.db2.gz AEGJMKUGBMGHJG-UHFFFAOYSA-N -1 3 376.453 3.665 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2)n1 ZINC000435046872 850019464 /nfs/dbraw/zinc/01/94/64/850019464.db2.gz YFXGGULEDJBMHG-UHFFFAOYSA-N -1 3 384.439 3.954 20 30 GHEDHM N#CC1(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)CCCCC1 ZINC000435466988 850547355 /nfs/dbraw/zinc/54/73/55/850547355.db2.gz BFTMAUIDQSQQDY-UHFFFAOYSA-N -1 3 391.244 3.813 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3nnc4ccccc4c3[O-])cn2)cc1 ZINC000732284668 862190838 /nfs/dbraw/zinc/19/08/38/862190838.db2.gz WURDRZWANHGTHN-UHFFFAOYSA-N -1 3 383.367 3.647 20 30 GHEDHM CC(C)(C)n1cnc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)n1 ZINC000515568864 851180715 /nfs/dbraw/zinc/18/07/15/851180715.db2.gz YZATZUAQPLTVIY-UHFFFAOYSA-N -1 3 377.473 3.984 20 30 GHEDHM COc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c([O-])c1 ZINC000425091745 851253405 /nfs/dbraw/zinc/25/34/05/851253405.db2.gz XWRULFUEOHQGIT-GFCCVEGCSA-N -1 3 378.350 3.974 20 30 GHEDHM CCC(=O)Nc1ccc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000481806642 862282944 /nfs/dbraw/zinc/28/29/44/862282944.db2.gz NFCOUNCMNHRCRE-UHFFFAOYSA-N -1 3 380.448 3.504 20 30 GHEDHM C=C(C)[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(F)c(F)c1 ZINC000436947597 852530735 /nfs/dbraw/zinc/53/07/35/852530735.db2.gz RHJAMDGCATVILV-FQEVSTJZSA-N -1 3 388.414 3.532 20 30 GHEDHM N#CCCN(C(=O)c1ccc2c(c1[O-])CCCC2)c1ccc2c(c1)OCCO2 ZINC000436959335 852549270 /nfs/dbraw/zinc/54/92/70/852549270.db2.gz MRWLLBKEURYHBN-UHFFFAOYSA-N -1 3 378.428 3.603 20 30 GHEDHM C=C1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)CC1 ZINC000518658170 853610449 /nfs/dbraw/zinc/61/04/49/853610449.db2.gz IVULMQRMGRNKQF-UHFFFAOYSA-N -1 3 388.464 3.727 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000253542031 857018769 /nfs/dbraw/zinc/01/87/69/857018769.db2.gz UGDZRPLDYZEKQC-UZSYQUHHSA-N -1 3 393.487 3.585 20 30 GHEDHM COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1[O-] ZINC000761013237 857354074 /nfs/dbraw/zinc/35/40/74/857354074.db2.gz RCJZVJQSGUISRL-XBXARRHUSA-N -1 3 378.178 3.968 20 30 GHEDHM COc1ccc(CN=Nc2ncnc3ccsc32)c(Br)c1[O-] ZINC000761013925 857389932 /nfs/dbraw/zinc/38/99/32/857389932.db2.gz UYIHEXIQLSPIIZ-UHFFFAOYSA-N -1 3 379.239 3.614 20 30 GHEDHM COCCN(Cc1ccc(C)c(C)c1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000895154330 857645968 /nfs/dbraw/zinc/64/59/68/857645968.db2.gz XTSWEZDTDHAXLF-UHFFFAOYSA-N -1 3 395.503 3.500 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(NC(C)=O)c1OC ZINC000442605819 857993523 /nfs/dbraw/zinc/99/35/23/857993523.db2.gz MSXSCDSRJGURGC-ZDUSSCGKSA-N -1 3 395.440 3.762 20 30 GHEDHM N#CC1(c2ccc(CN[C@H](C(=O)[O-])c3ccc(Br)cc3)cc2)CC1 ZINC000594690248 858254185 /nfs/dbraw/zinc/25/41/85/858254185.db2.gz JELPEPZGOVCDGR-KRWDZBQOSA-N -1 3 385.261 3.920 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)c(F)cc1Br ZINC000522029209 858549442 /nfs/dbraw/zinc/54/94/42/858549442.db2.gz OBFGXAQLMQPASE-UHFFFAOYSA-N -1 3 383.242 3.764 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)cc(=O)[n-]1 ZINC000611246254 859665732 /nfs/dbraw/zinc/66/57/32/859665732.db2.gz SRLPVNZTRKBMFR-SFHVURJKSA-N -1 3 395.422 3.952 20 30 GHEDHM Cc1cc(=O)cc(C)n1CCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181305 860188963 /nfs/dbraw/zinc/18/89/63/860188963.db2.gz SYWSBNZWXGWAQN-UHFFFAOYSA-N -1 3 383.275 3.970 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172349230 863498919 /nfs/dbraw/zinc/49/89/19/863498919.db2.gz KXHDFFDERAIOTG-AWEZNQCLSA-N -1 3 378.171 3.863 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)c(C)c1 ZINC000734119951 864007375 /nfs/dbraw/zinc/00/73/75/864007375.db2.gz LCNQBCYBRPWPBI-UHFFFAOYSA-N -1 3 387.530 3.529 20 30 GHEDHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736329799 865182510 /nfs/dbraw/zinc/18/25/10/865182510.db2.gz VKHFYYKPVHCMBM-ZHZWZMEUSA-N -1 3 388.431 3.568 20 30 GHEDHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736329799 865182518 /nfs/dbraw/zinc/18/25/18/865182518.db2.gz VKHFYYKPVHCMBM-ZHZWZMEUSA-N -1 3 388.431 3.568 20 30 GHEDHM Cc1ccc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(F)(F)F)o1 ZINC000594153321 865225776 /nfs/dbraw/zinc/22/57/76/865225776.db2.gz BMFYDFWUOGJVCZ-MRXNPFEDSA-N -1 3 381.354 3.530 20 30 GHEDHM CCOC(=O)[C@@H](Cc1ccccc1)/N=C\c1cc(Br)ccc1[O-] ZINC000920173364 881882206 /nfs/dbraw/zinc/88/22/06/881882206.db2.gz CSOARCXWLRPZPN-SDLDRHLBSA-N -1 3 376.250 3.748 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456842989 867235178 /nfs/dbraw/zinc/23/51/78/867235178.db2.gz RNWWKUABLIDTPN-LJQANCHMSA-N -1 3 385.414 3.850 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(Cc1ccccc1)C1CC1 ZINC000457005614 867540682 /nfs/dbraw/zinc/54/06/82/867540682.db2.gz CZZLHNUYJQOFBS-QHCPKHFHSA-N -1 3 377.488 3.736 20 30 GHEDHM CCCc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000857205588 882115706 /nfs/dbraw/zinc/11/57/06/882115706.db2.gz DWKYGFJCVQCPPJ-MRXNPFEDSA-N -1 3 386.502 3.976 20 30 GHEDHM C=CCCC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000620864096 867752206 /nfs/dbraw/zinc/75/22/06/867752206.db2.gz PYXAMUNABWXHFK-UHFFFAOYSA-N -1 3 393.336 3.523 20 30 GHEDHM C#CCOc1ccc(F)cc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000743103944 867848085 /nfs/dbraw/zinc/84/80/85/867848085.db2.gz DMHGGJDRYFWKAQ-UHFFFAOYSA-N -1 3 392.390 3.953 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C1CC1 ZINC000744030784 868538249 /nfs/dbraw/zinc/53/82/49/868538249.db2.gz LAYWBDGVTYJFFR-NSHDSACASA-N -1 3 377.231 3.565 20 30 GHEDHM COc1cc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000730548207 882235058 /nfs/dbraw/zinc/23/50/58/882235058.db2.gz DQQOICSWJGNZFG-UHFFFAOYSA-N -1 3 378.816 3.623 20 30 GHEDHM CC[C@]1(c2ccccc2)[N-]C(=O)N(N=Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000744766433 869067525 /nfs/dbraw/zinc/06/75/25/869067525.db2.gz QLOCARKSRAEZPV-GOSISDBHSA-N -1 3 397.303 3.573 20 30 GHEDHM N#CC1(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CCCC1 ZINC000446361690 869746579 /nfs/dbraw/zinc/74/65/79/869746579.db2.gz DHOAUHZDBXZZSP-UHFFFAOYSA-N -1 3 393.672 3.937 20 30 GHEDHM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000476595872 882375868 /nfs/dbraw/zinc/37/58/68/882375868.db2.gz KXCPOXRMXBWZRS-UHFFFAOYSA-N -1 3 394.408 3.880 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)ccc1Cl ZINC000609115785 871745240 /nfs/dbraw/zinc/74/52/40/871745240.db2.gz UOSWSVBLNMAHBA-UHFFFAOYSA-N -1 3 393.255 3.852 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1C(F)(F)F ZINC000443400073 872078571 /nfs/dbraw/zinc/07/85/71/872078571.db2.gz PLSIHSUREYFLMN-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM COC(=O)CN(Cc1ccc(Cl)cc1C#N)Cc1cc(Cl)ccc1[O-] ZINC000775632747 872147784 /nfs/dbraw/zinc/14/77/84/872147784.db2.gz QULWYZQJFITPNL-UHFFFAOYSA-N -1 3 379.243 3.746 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(OCc3ccccc3F)cc2)c1[O-] ZINC000767339564 872411895 /nfs/dbraw/zinc/41/18/95/872411895.db2.gz UQRMLUIXGLYRBQ-WYMPLXKRSA-N -1 3 380.419 3.925 20 30 GHEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc([O-])c4ccccc4c3)C2)c(F)c1 ZINC000527162410 872759431 /nfs/dbraw/zinc/75/94/31/872759431.db2.gz YAJRVXAZWHAXNI-GOSISDBHSA-N -1 3 389.430 3.955 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000139469182 872963609 /nfs/dbraw/zinc/96/36/09/872963609.db2.gz XEXKGEOBJHMBAJ-OAHLLOKOSA-N -1 3 377.444 3.762 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000139469057 872974007 /nfs/dbraw/zinc/97/40/07/872974007.db2.gz XEXKGEOBJHMBAJ-HNNXBMFYSA-N -1 3 377.444 3.762 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2F)cc1 ZINC001196490932 873168146 /nfs/dbraw/zinc/16/81/46/873168146.db2.gz PMORSEFYGDFHHE-UHFFFAOYSA-N -1 3 391.424 3.845 20 30 GHEDHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448312008 873187186 /nfs/dbraw/zinc/18/71/86/873187186.db2.gz RSEVLSRXJDDOMX-UHFFFAOYSA-N -1 3 397.337 3.920 20 30 GHEDHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1F ZINC001197319161 873705868 /nfs/dbraw/zinc/70/58/68/873705868.db2.gz WTIIDLCLNSFIRN-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000770081672 874444561 /nfs/dbraw/zinc/44/45/61/874444561.db2.gz XBEUBFMADXZGKM-KRWDZBQOSA-N -1 3 377.469 3.705 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3cc(C)[nH]c32)c(C)c1[O-] ZINC001198571816 874486983 /nfs/dbraw/zinc/48/69/83/874486983.db2.gz RGBRNJVOMPZGIF-UHFFFAOYSA-N -1 3 377.400 3.791 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000130171167 874971247 /nfs/dbraw/zinc/97/12/47/874971247.db2.gz FCCLWWFWXCUNHH-MRXNPFEDSA-N -1 3 396.809 3.685 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CCc2cc(Cl)ccc2Br)c1[O-] ZINC000771836850 875480263 /nfs/dbraw/zinc/48/02/63/875480263.db2.gz QFQPKIMXWZKMHP-UFWORHAWSA-N -1 3 383.673 3.665 20 30 GHEDHM N#Cc1ccc(NC(=S)Nc2ncc([O-])cc2Cl)c(Br)c1 ZINC001201116146 875508136 /nfs/dbraw/zinc/50/81/36/875508136.db2.gz GSDTUYNWDNUJJA-UHFFFAOYSA-N -1 3 383.658 3.884 20 30 GHEDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)cc1 ZINC000451090840 877353972 /nfs/dbraw/zinc/35/39/72/877353972.db2.gz UYSNLCFPLIOWSO-UHFFFAOYSA-N -1 3 388.489 3.725 20 30 GHEDHM CN1c2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2C(C)(C)C1=O ZINC000851039393 877365101 /nfs/dbraw/zinc/36/51/01/877365101.db2.gz ZHPVUFUSAQZYNN-ZDUSSCGKSA-N -1 3 387.361 3.844 20 30 GHEDHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1OC ZINC000192800716 878056042 /nfs/dbraw/zinc/05/60/42/878056042.db2.gz BFZJQHGULXRCFN-UHFFFAOYSA-N -1 3 387.244 3.683 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1[O-] ZINC000788674033 878234068 /nfs/dbraw/zinc/23/40/68/878234068.db2.gz BLASNUKVYAAQTN-RRDOOKONSA-N -1 3 394.302 3.983 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000789405422 878952419 /nfs/dbraw/zinc/95/24/19/878952419.db2.gz MYHNAGWZBLVYHS-AWEZNQCLSA-N -1 3 394.337 3.508 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000160709451 879046043 /nfs/dbraw/zinc/04/60/43/879046043.db2.gz MPEJALDXIIZIOZ-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000461236638 879448861 /nfs/dbraw/zinc/44/88/61/879448861.db2.gz WYCYDGYQYLUTEP-UHFFFAOYSA-N -1 3 384.505 3.917 20 30 GHEDHM COCC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000790164585 879501647 /nfs/dbraw/zinc/50/16/47/879501647.db2.gz CRXRHDKPUHNYNK-UHFFFAOYSA-N -1 3 395.484 3.950 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2cc(O)cc(O)c2)cc(Br)c1[O-] ZINC000152704274 879588353 /nfs/dbraw/zinc/58/83/53/879588353.db2.gz RIHSTPRECSRAIP-ONEGZZNKSA-N -1 3 379.206 3.861 20 30 GHEDHM Cc1cccc(C)c1OCC1N=NC(=S)N1N=Cc1c(F)ccc([O-])c1F ZINC000794488997 886892429 /nfs/dbraw/zinc/89/24/29/886892429.db2.gz VVLIOSVMMHWJDM-UHFFFAOYSA-N -1 3 390.415 3.629 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(C(F)(F)F)c2)cc1Cl ZINC000808979936 886957854 /nfs/dbraw/zinc/95/78/54/886957854.db2.gz PHGBQOVLTXRQAE-LLVKDONJSA-N -1 3 397.740 3.724 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000032590002 887426570 /nfs/dbraw/zinc/42/65/70/887426570.db2.gz ARIMKGMVXUOLAG-UHFFFAOYSA-N -1 3 389.477 3.502 20 30 GHEDHM Cc1ccc([N-]c2ncc(C#N)cc2I)c([N+](=O)[O-])c1 ZINC001214167653 887909437 /nfs/dbraw/zinc/90/94/37/887909437.db2.gz RTAUZPFWHQRELM-UHFFFAOYSA-N -1 3 380.145 3.518 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000017591031 888531185 /nfs/dbraw/zinc/53/11/85/888531185.db2.gz GVRVHGDNBRNDOS-UHFFFAOYSA-N -1 3 378.457 3.558 20 30 GHEDHM COC(=O)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000811188827 889276414 /nfs/dbraw/zinc/27/64/14/889276414.db2.gz ZFOQHWSZMAZTNK-OAHLLOKOSA-N -1 3 380.183 3.642 20 30 GHEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000811644222 889840933 /nfs/dbraw/zinc/84/09/33/889840933.db2.gz VCEBEESXFOQPDZ-UHFFFAOYSA-N -1 3 394.385 3.850 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(N3CCCC3)n2)cc1 ZINC000870145629 890232091 /nfs/dbraw/zinc/23/20/91/890232091.db2.gz OXJYODYGUCLEPV-YJBOKZPZSA-N -1 3 391.475 3.551 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916925245 890395231 /nfs/dbraw/zinc/39/52/31/890395231.db2.gz JTLQSHRGXBSVFP-CQSZACIVSA-N -1 3 393.355 3.701 20 30 GHEDHM COC(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000916930893 890423812 /nfs/dbraw/zinc/42/38/12/890423812.db2.gz HTIOZYUXLNJPPC-ZDUSSCGKSA-N -1 3 391.210 3.741 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc3ccccc3o2)cc1 ZINC000916940013 890530451 /nfs/dbraw/zinc/53/04/51/890530451.db2.gz QSAJUDYGCHZFTE-INIZCTEOSA-N -1 3 376.368 3.571 20 30 GHEDHM CC(C)C[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC001184825689 913464801 /nfs/dbraw/zinc/46/48/01/913464801.db2.gz JUTMBOGXXCEDKO-CYBMUJFWSA-N -1 3 379.707 3.709 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3)oc2C)cc1 ZINC000916950039 890622418 /nfs/dbraw/zinc/62/24/18/890622418.db2.gz KMFJGRHQOKHWGG-QGZVFWFLSA-N -1 3 375.384 3.620 20 30 GHEDHM O=C1Nc2ccc(Br)cc2C1=N[N-]c1ncc(Cl)cc1Cl ZINC000008341960 891901979 /nfs/dbraw/zinc/90/19/79/891901979.db2.gz AQJFAJGVDFXGTM-UHFFFAOYSA-N -1 3 386.036 3.919 20 30 GHEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC#Cc2ccc(Cl)cc2Cl)cc1 ZINC000760309015 895155201 /nfs/dbraw/zinc/15/52/01/895155201.db2.gz PTARTLKLQOIFND-UHFFFAOYSA-N -1 3 398.267 3.573 20 30 GHEDHM CCCCCCCCc1nnc([N-]C(=O)c2cccc(C(=O)OC)n2)s1 ZINC001136358117 897418165 /nfs/dbraw/zinc/41/81/65/897418165.db2.gz FGFTXRSPBZXSEF-UHFFFAOYSA-N -1 3 376.482 3.875 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F ZINC000103050530 898063779 /nfs/dbraw/zinc/06/37/79/898063779.db2.gz UOQNVOXNXKSNNY-SFHVURJKSA-N -1 3 391.393 3.558 20 30 GHEDHM Clc1ccc(Cl)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000822573556 898486838 /nfs/dbraw/zinc/48/68/38/898486838.db2.gz AOPQJIBLDDJKAE-UHFFFAOYSA-N -1 3 381.654 3.951 20 30 GHEDHM Clc1ccc(Cl)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000822573556 898486848 /nfs/dbraw/zinc/48/68/48/898486848.db2.gz AOPQJIBLDDJKAE-UHFFFAOYSA-N -1 3 381.654 3.951 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000800041442 898528730 /nfs/dbraw/zinc/52/87/30/898528730.db2.gz JCOYWXAVZBPGQF-FDMDGMSGSA-N -1 3 384.354 3.999 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Cc2ccc(OC(F)(F)F)cc21 ZINC000823504986 899069546 /nfs/dbraw/zinc/06/95/46/899069546.db2.gz WQGSBLNXFAPULK-TWGQIWQCSA-N -1 3 378.335 3.649 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824058902 899364837 /nfs/dbraw/zinc/36/48/37/899364837.db2.gz HZSKZIAGXPWKKZ-UHFFFAOYSA-N -1 3 391.431 3.542 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824058902 899364845 /nfs/dbraw/zinc/36/48/45/899364845.db2.gz HZSKZIAGXPWKKZ-UHFFFAOYSA-N -1 3 391.431 3.542 20 30 GHEDHM Cn1nc(C(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000576676194 902182610 /nfs/dbraw/zinc/18/26/10/902182610.db2.gz VHJWHUZEANETJP-MRVPVSSYSA-N -1 3 383.280 3.674 20 30 GHEDHM Cc1ccc([C@@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000126923497 902391522 /nfs/dbraw/zinc/39/15/22/902391522.db2.gz FCHYVAGPJPYHTM-NRFANRHFSA-N -1 3 377.488 3.858 20 30 GHEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccc2c(c1)OCO2 ZINC000845835362 902445812 /nfs/dbraw/zinc/44/58/12/902445812.db2.gz AHAARXPDNJHGLD-ZQMJAJRESA-N -1 3 379.437 3.961 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000159787865 904100189 /nfs/dbraw/zinc/10/01/89/904100189.db2.gz SUXKSXXHHWDGMG-OAHLLOKOSA-N -1 3 394.793 3.897 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(O[C@H](C)CC)c1 ZINC000777300979 905670966 /nfs/dbraw/zinc/67/09/66/905670966.db2.gz BJVVAPODVMSPPF-ZBFHGGJFSA-N -1 3 381.432 3.619 20 30 GHEDHM C#CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000192052940 907376086 /nfs/dbraw/zinc/37/60/86/907376086.db2.gz ZEQBWMHEIFNJQM-UHFFFAOYSA-N -1 3 386.473 3.546 20 30 GHEDHM COCCOc1cc(C#N)c(Nc2cc([O-])cc(Cl)c2)cc1OCCOC ZINC001176625872 908188512 /nfs/dbraw/zinc/18/85/12/908188512.db2.gz QOHHNWFKPLGTMT-UHFFFAOYSA-N -1 3 392.839 3.711 20 30 GHEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2c(F)cc(Br)cc2F)n1 ZINC000268046992 909750021 /nfs/dbraw/zinc/75/00/21/909750021.db2.gz NBITYQXPJQTXRC-UHFFFAOYSA-N -1 3 383.196 3.803 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2csc(C(C)C)n2)no1 ZINC000273839292 911048390 /nfs/dbraw/zinc/04/83/90/911048390.db2.gz LBJURBLWHWAAOG-UHFFFAOYSA-N -1 3 383.477 3.615 20 30 GHEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ccnc2cc(Cl)ccc21 ZINC000774312512 911641795 /nfs/dbraw/zinc/64/17/95/911641795.db2.gz ZSNLTPKAYGBESS-UHFFFAOYSA-N -1 3 385.742 3.704 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1 ZINC001188910681 916263220 /nfs/dbraw/zinc/26/32/20/916263220.db2.gz XFQFBMUUCPACHQ-IBGZPJMESA-N -1 3 383.404 3.556 20 30 GHEDHM CCN(Cc1ccccc1)C(=O)C/N=C/c1cc(Br)ccc1[O-] ZINC000098161537 916294956 /nfs/dbraw/zinc/29/49/56/916294956.db2.gz UGSLOIHOZFDWAE-RGVLZGJSSA-N -1 3 375.266 3.622 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)ccc1Br ZINC001189688841 916810032 /nfs/dbraw/zinc/81/00/32/916810032.db2.gz YLZZVUYTOWXEKE-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1 ZINC001191301126 917905178 /nfs/dbraw/zinc/90/51/78/917905178.db2.gz UXDIQRCVMNPKMU-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c(=O)[n-]1 ZINC000297698685 919626886 /nfs/dbraw/zinc/62/68/86/919626886.db2.gz FTKKSVREVFTBDL-MNOVXSKESA-N -1 3 384.505 3.989 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)c(=O)[n-]1 ZINC000297726834 919672667 /nfs/dbraw/zinc/67/26/67/919672667.db2.gz HEMOQCAYKWXMCB-GHMZBOCLSA-N -1 3 384.505 3.989 20 30 GHEDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094532 919837871 /nfs/dbraw/zinc/83/78/71/919837871.db2.gz OYRJSINUGPSIHX-UHFFFAOYSA-N -1 3 383.173 3.836 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000298474141 920577454 /nfs/dbraw/zinc/57/74/54/920577454.db2.gz AACLYWHBNFHIPJ-UHFFFAOYSA-N -1 3 395.356 3.683 20 30 GHEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1c(Cl)n[nH]c1C1CC1 ZINC000901155987 920874913 /nfs/dbraw/zinc/87/49/13/920874913.db2.gz STWPWJWGFOKDRG-UHFFFAOYSA-N -1 3 390.925 3.995 20 30 GHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ncc(Br)cn3)sc2C1 ZINC000901264707 920953362 /nfs/dbraw/zinc/95/33/62/920953362.db2.gz LROMYVDFTUDRGV-QMMMGPOBSA-N -1 3 377.267 3.549 20 30 GHEDHM Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)C2)c1 ZINC000901375436 921052928 /nfs/dbraw/zinc/05/29/28/921052928.db2.gz HSEOYFYZXNJCCE-GOSISDBHSA-N -1 3 384.451 3.713 20 30 GHEDHM O=C(c1csc(-c2cnccn2)n1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378085 921055404 /nfs/dbraw/zinc/05/54/04/921055404.db2.gz HSAVMNLRDSXBCG-UHFFFAOYSA-N -1 3 381.244 3.939 20 30 GHEDHM CS(=O)(=O)Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000901380100 921058591 /nfs/dbraw/zinc/05/85/91/921058591.db2.gz XHLQURYPGBDIJS-UHFFFAOYSA-N -1 3 388.272 3.570 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000365664337 921060105 /nfs/dbraw/zinc/06/01/05/921060105.db2.gz YZFPENXOUATTNQ-SFTDATJTSA-N -1 3 388.471 3.507 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc2sc(N3CCCC3)nc2s1 ZINC000796633869 926371073 /nfs/dbraw/zinc/37/10/73/926371073.db2.gz PWPLKWQMKFLVPK-CYBMUJFWSA-N -1 3 396.497 3.919 20 30 GHEDHM C#CCN1CC2(CCC1=O)CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001276164686 926399031 /nfs/dbraw/zinc/39/90/31/926399031.db2.gz GKNMFOPHYRDXAP-UHFFFAOYSA-N -1 3 381.303 3.537 20 30 GHEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276165293 926414514 /nfs/dbraw/zinc/41/45/14/926414514.db2.gz SWIDFHALWNQVES-IAGOWNOFSA-N -1 3 382.291 3.568 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000374818694 927559595 /nfs/dbraw/zinc/55/95/95/927559595.db2.gz LLTLTJVHHNYQDP-GNISGLHKSA-N -1 3 375.472 3.913 20 30 GHEDHM Cc1cn(C2CCCCC2)nc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000544068869 928762276 /nfs/dbraw/zinc/76/22/76/928762276.db2.gz CNHSCTPPDXLCRH-UHFFFAOYSA-N -1 3 381.480 3.857 20 30 GHEDHM CCOc1ccc(N(CCC#N)C(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1 ZINC000544390828 929122481 /nfs/dbraw/zinc/12/24/81/929122481.db2.gz GCMUWLHUNRKQMH-UHFFFAOYSA-N -1 3 375.428 3.796 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H](C)c2c(F)cccc2F)no1 ZINC000546429084 930157098 /nfs/dbraw/zinc/15/70/98/930157098.db2.gz YKJZTJYCJTVPHT-NSHDSACASA-N -1 3 384.386 3.874 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1cccc(F)c1 ZINC000759236339 930316812 /nfs/dbraw/zinc/31/68/12/930316812.db2.gz QFBSSZTVQWIGIP-QWGSZXSUSA-N -1 3 382.391 3.552 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Cl)cc2c1OCC2 ZINC000783470661 931555396 /nfs/dbraw/zinc/55/53/96/931555396.db2.gz KZHIRRQKOABEEL-UHFFFAOYSA-N -1 3 386.835 3.540 20 30 GHEDHM C#CC[C@@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(C)(C)C ZINC000796846237 932086839 /nfs/dbraw/zinc/08/68/39/932086839.db2.gz MZHAOSWBKDASST-CQSZACIVSA-N -1 3 391.411 3.672 20 30 GHEDHM O=C([N-]CC1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F ZINC000798956131 932838297 /nfs/dbraw/zinc/83/82/97/932838297.db2.gz IRWJMJFCSIFZNX-UHFFFAOYSA-N -1 3 386.311 3.735 20 30 GHEDHM COc1cc(CNc2ccc(OC(F)(F)F)c(C#N)c2)c([N+](=O)[O-])cc1[O-] ZINC000799348255 932961467 /nfs/dbraw/zinc/96/14/67/932961467.db2.gz HECXVDSNTWCRLZ-UHFFFAOYSA-N -1 3 383.282 3.691 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccc(F)cc1C ZINC001121709620 934744686 /nfs/dbraw/zinc/74/46/86/934744686.db2.gz VFKYTODMMHRELO-GOSISDBHSA-N -1 3 394.454 3.724 20 30 GHEDHM C=CCCC(C)(C)CNC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573328390 947406042 /nfs/dbraw/zinc/40/60/42/947406042.db2.gz VPDHMLUEVQSETI-UHFFFAOYSA-N -1 3 382.512 3.748 20 30 GHEDHM C=CCCC(C)(C)CNC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573328390 947406054 /nfs/dbraw/zinc/40/60/54/947406054.db2.gz VPDHMLUEVQSETI-UHFFFAOYSA-N -1 3 382.512 3.748 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001573330121 947431203 /nfs/dbraw/zinc/43/12/03/947431203.db2.gz UPWYYDMRLXCMFY-VQIMIIECSA-N -1 3 383.496 3.667 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001573330121 947431209 /nfs/dbraw/zinc/43/12/09/947431209.db2.gz UPWYYDMRLXCMFY-VQIMIIECSA-N -1 3 383.496 3.667 20 30 GHEDHM C=CCCCCCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=C)C ZINC001573334174 947449870 /nfs/dbraw/zinc/44/98/70/947449870.db2.gz AEEPYBSLDFEHCQ-UHFFFAOYSA-N -1 3 392.511 3.884 20 30 GHEDHM C=CCCCCCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=C)C ZINC001573334174 947449880 /nfs/dbraw/zinc/44/98/80/947449880.db2.gz AEEPYBSLDFEHCQ-UHFFFAOYSA-N -1 3 392.511 3.884 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)C[C@H](C)CC ZINC001573334314 947453945 /nfs/dbraw/zinc/45/39/45/947453945.db2.gz CFXOHIUTYUDJDS-MRXNPFEDSA-N -1 3 394.527 3.964 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)C[C@H](C)CC ZINC001573334314 947453951 /nfs/dbraw/zinc/45/39/51/947453951.db2.gz CFXOHIUTYUDJDS-MRXNPFEDSA-N -1 3 394.527 3.964 20 30 GHEDHM C[C@H](NC(=O)C#Cc1ccccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575247970 949055823 /nfs/dbraw/zinc/05/58/23/949055823.db2.gz MMQLNCKXVLWRPS-KRWDZBQOSA-N -1 3 393.450 3.763 20 30 GHEDHM C[C@H](NC(=O)C#Cc1ccccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575247970 949055803 /nfs/dbraw/zinc/05/58/03/949055803.db2.gz MMQLNCKXVLWRPS-KRWDZBQOSA-N -1 3 393.450 3.763 20 30 GHEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001573882151 950773058 /nfs/dbraw/zinc/77/30/58/950773058.db2.gz VAAVMCFYBXRRRY-UHFFFAOYSA-N -1 3 387.491 3.815 20 30 GHEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001573882151 950773075 /nfs/dbraw/zinc/77/30/75/950773075.db2.gz VAAVMCFYBXRRRY-UHFFFAOYSA-N -1 3 387.491 3.815 20 30 GHEDHM C#CC1(NCc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])CCCC1 ZINC001573302491 962653855 /nfs/dbraw/zinc/65/38/55/962653855.db2.gz NMYDQSLEBNTEIO-UHFFFAOYSA-N -1 3 378.259 3.913 20 30 GHEDHM COc1ccc(C(C)=NNc2ccc(CC(=O)[O-])cc2)cc1CN1CCCC1 ZINC000848415983 979468506 /nfs/dbraw/zinc/46/85/06/979468506.db2.gz UZDMWPGTYJNEQH-UHFFFAOYSA-N -1 3 381.476 3.754 20 30 GHEDHM C#CC[C@@H](NCc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(=O)[O-] ZINC001588422244 983444985 /nfs/dbraw/zinc/44/49/85/983444985.db2.gz IGCLMBIAEHQVCG-HXUWFJFHSA-N -1 3 393.418 3.678 20 30 GHEDHM CC(C)(C)OC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001590315242 989743745 /nfs/dbraw/zinc/74/37/45/989743745.db2.gz MOPVRYZSMYLCGL-GOSISDBHSA-N -1 3 381.432 3.821 20 30 GHEDHM CCc1cc(=O)[n-]c(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000468272862 1015533962 /nfs/dbraw/zinc/53/39/62/1015533962.db2.gz PADPCBXMBOEAHW-UHFFFAOYSA-N -1 3 376.435 3.958 20 30 GHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC001593190936 994129839 /nfs/dbraw/zinc/12/98/39/994129839.db2.gz ZCRVHIVQACKCLX-YCRPNKLZSA-N -1 3 377.444 3.552 20 30 GHEDHM N#Cc1ccc2[n-]c(C(=O)N[C@@H]3CCc4ccc(C(F)(F)F)cc43)cc(=O)c2c1 ZINC001154560281 1032182597 /nfs/dbraw/zinc/18/25/97/1032182597.db2.gz IAAFKFHOLIAJBS-MRXNPFEDSA-N -1 3 397.356 3.836 20 30 GHEDHM N#Cc1ccc2[n-]c(C(=O)NCCc3c[nH]c4cccc(Cl)c34)cc(=O)c2c1 ZINC001154560317 1032182756 /nfs/dbraw/zinc/18/27/56/1032182756.db2.gz IUYTZVJKCHZSHZ-UHFFFAOYSA-N -1 3 390.830 3.507 20 30 GHEDHM COc1cc(OC2CCC(C#N)CC2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227647171 1032500617 /nfs/dbraw/zinc/50/06/17/1032500617.db2.gz WABVXNBKKNXYRL-UHFFFAOYSA-N -1 3 381.384 3.827 20 30 GHEDHM N=C(NC(F)(F)c1cc(Cl)nc(=S)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC001155851379 1032740915 /nfs/dbraw/zinc/74/09/15/1032740915.db2.gz LMNZUPBCKYEBLZ-UHFFFAOYSA-N -1 3 382.745 3.892 20 30 GHEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1C(C)C ZINC000159765094 1020355274 /nfs/dbraw/zinc/35/52/74/1020355274.db2.gz OGOMGYKNLACWQZ-SFHVURJKSA-N -1 3 387.443 3.660 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OCCOC)c2)cc1 ZINC000802041750 1021470000 /nfs/dbraw/zinc/47/00/00/1021470000.db2.gz DPBIWGSQLFKAKM-QRWLVFNGSA-N -1 3 395.459 3.581 20 30 GHEDHM [O-]c1c(F)cccc1CN=Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000755717158 1023349326 /nfs/dbraw/zinc/34/93/26/1023349326.db2.gz MDPLJHYYLILUGB-UHFFFAOYSA-N -1 3 377.301 3.848 20 30 GHEDHM C#Cc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC001141043090 1023371735 /nfs/dbraw/zinc/37/17/35/1023371735.db2.gz NRXJHPKFBULHNG-HSZRJFAPSA-N -1 3 398.462 3.551 20 30 GHEDHM [O-]N=C(Nc1ccc(-c2cccnc2)nn1)c1ccc(OC(F)(F)F)cc1 ZINC001163765135 1026307688 /nfs/dbraw/zinc/30/76/88/1026307688.db2.gz MEZNCUZERZGCDM-UHFFFAOYSA-N -1 3 375.310 3.685 20 30 GHEDHM [O-]N=C(Nc1cc(-c2cccnc2)ncn1)c1ccc(OC(F)(F)F)cc1 ZINC001163765531 1026308734 /nfs/dbraw/zinc/30/87/34/1026308734.db2.gz FVNJDXVDLCGHCY-UHFFFAOYSA-N -1 3 375.310 3.685 20 30 GHEDHM Cn1cnc2c1cc(Cl)nc2NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765482 1026309529 /nfs/dbraw/zinc/30/95/29/1026309529.db2.gz UASMIYIMTSAOHW-UHFFFAOYSA-N -1 3 385.733 3.768 20 30 GHEDHM CCCCN(C)c1cncc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001163765919 1026309829 /nfs/dbraw/zinc/30/98/29/1026309829.db2.gz OLYXUMJQISKOEZ-UHFFFAOYSA-N -1 3 383.374 3.859 20 30 GHEDHM Cc1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1C#N ZINC001163770551 1026311315 /nfs/dbraw/zinc/31/13/15/1026311315.db2.gz MPRMALMOOJXFOB-UHFFFAOYSA-N -1 3 380.282 3.921 20 30 GHEDHM C=C(C)CO[N-]C(=O)CCc1cc(Br)c(Br)s1 ZINC001164455008 1026517569 /nfs/dbraw/zinc/51/75/69/1026517569.db2.gz NHAIHKGTBPXKSA-UHFFFAOYSA-N -1 3 383.105 3.830 20 30 GHEDHM O=C([N-]C1CCN(Cc2ccc(C#Cc3ccccc3)s2)CC1)C(F)(F)F ZINC001141977543 1027792021 /nfs/dbraw/zinc/79/20/21/1027792021.db2.gz GNYXLGLJHOYYGS-UHFFFAOYSA-N -1 3 392.446 3.791 20 30 GHEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ccc(Oc4ccccc4)o3)n2)cc1 ZINC000178008177 1028499653 /nfs/dbraw/zinc/49/96/53/1028499653.db2.gz SRKYKIAXNUKHFG-UHFFFAOYSA-N -1 3 385.383 3.836 20 30 GHEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc2cc(C(F)(F)F)c[nH]c-2n1 ZINC001151453412 1030913025 /nfs/dbraw/zinc/91/30/25/1030913025.db2.gz NPROQSQRFPAOLN-UHFFFAOYSA-N -1 3 394.334 3.554 20 30 GHEDHM N#Cc1c(NC(=O)c2cccc(-c3ccccc3)c2[O-])sc2c1CCNC2 ZINC001218554370 1030985504 /nfs/dbraw/zinc/98/55/04/1030985504.db2.gz YLDHOKDPZOJGON-UHFFFAOYSA-N -1 3 375.453 3.890 20 30 GHEDHM Cc1[nH]nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1-c1ccc(F)cc1 ZINC001157051649 1033388525 /nfs/dbraw/zinc/38/85/25/1033388525.db2.gz YFZSRVXMKCKXHP-UHFFFAOYSA-N -1 3 393.422 3.685 20 30 GHEDHM COc1cc([O-])cc(O[C@H]2CN3CCC2CC3)c1C(=O)/C=C/c1ccccc1 ZINC001229527895 1033540507 /nfs/dbraw/zinc/54/05/07/1033540507.db2.gz QMLIGMLNOCGOGE-DORXLWPQSA-N -1 3 379.456 3.770 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1ccc([O-])c(C(F)(F)F)c1)CCO2 ZINC001231525054 1034677420 /nfs/dbraw/zinc/67/74/20/1034677420.db2.gz TWDCNEOVSATJTM-VQIMIIECSA-N -1 3 385.426 3.985 20 30 GHEDHM CC(C)(C)C#CCNc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001160393879 1034964410 /nfs/dbraw/zinc/96/44/10/1034964410.db2.gz YSCFAQQHLJTJIJ-UHFFFAOYSA-N -1 3 379.432 3.622 20 30 GHEDHM O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N([O-])Cc1ccc(F)cc1 ZINC001161842327 1035313817 /nfs/dbraw/zinc/31/38/17/1035313817.db2.gz BCGWVKNADCSVDF-CQSZACIVSA-N -1 3 397.233 3.903 20 30 GHEDHM C=CCOc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c(F)c1 ZINC001247999733 1038531799 /nfs/dbraw/zinc/53/17/99/1038531799.db2.gz MUDYDHMVHMZKTQ-UHFFFAOYSA-N -1 3 384.323 3.601 20 30 GHEDHM C=CCOC(=O)N1CCC2(CN(Cc3cccc(C(F)(F)F)c3[O-])C2)CC1 ZINC001233416092 1039272345 /nfs/dbraw/zinc/27/23/45/1039272345.db2.gz WCRONZNMOZEPGQ-UHFFFAOYSA-N -1 3 384.398 3.631 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)CCC12CC2 ZINC001233803589 1039628598 /nfs/dbraw/zinc/62/85/98/1039628598.db2.gz RBLVQNFHIQLGJG-RHLNUJDMSA-N -1 3 376.453 3.672 20 30 GHEDHM N#CCCCN1CC[C@@]2(CCCN2Cc2cc(Cl)c(Cl)cc2[O-])C1=O ZINC001277829553 1039806156 /nfs/dbraw/zinc/80/61/56/1039806156.db2.gz GIRHDFIMSOCORV-SFHVURJKSA-N -1 3 382.291 3.570 20 30 GHEDHM C#CC[C@H](CC)Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC ZINC001234758765 1040287364 /nfs/dbraw/zinc/28/73/64/1040287364.db2.gz VUKFUORIVVCXBJ-LBPRGKRZSA-N -1 3 398.411 3.858 20 30 GHEDHM C#CC[C@H](CC)Oc1c(OC)cc2c(oc3cc(OC)cc([O-])c3c2=O)c1OC ZINC001234758765 1040287374 /nfs/dbraw/zinc/28/73/74/1040287374.db2.gz VUKFUORIVVCXBJ-LBPRGKRZSA-N -1 3 398.411 3.858 20 30 GHEDHM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001260887888 1045743227 /nfs/dbraw/zinc/74/32/27/1045743227.db2.gz ZDJJDCCKFNZUCC-LBPRGKRZSA-N -1 3 399.232 3.684 20 30 GHEDHM O=S(=O)([N-]Cc1c(F)ccc(F)c1F)c1ccc(F)cc1C(F)(F)F ZINC001261011277 1045832865 /nfs/dbraw/zinc/83/28/65/1045832865.db2.gz KIWHZPYNRPVXAG-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)cc1Br ZINC001261039363 1045859250 /nfs/dbraw/zinc/85/92/50/1045859250.db2.gz PBUNNHIDLNMTCZ-NSHDSACASA-N -1 3 395.278 3.886 20 30 GHEDHM N#CCCC[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1ccccc1 ZINC001298540415 1045862981 /nfs/dbraw/zinc/86/29/81/1045862981.db2.gz ZJEBSXKJWVFXLH-SFHVURJKSA-N -1 3 381.382 3.971 20 30 GHEDHM C[C@@]1(C(=O)N([O-])Cc2ccccc2Cl)CC1(Br)Br ZINC001306895068 1048930397 /nfs/dbraw/zinc/93/03/97/1048930397.db2.gz VUPDHSUSDATWEX-NSHDSACASA-N -1 3 397.494 3.954 20 30 GHEDHM O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N([O-])Cc1ccccc1Cl ZINC001306894213 1048948653 /nfs/dbraw/zinc/94/86/53/1048948653.db2.gz ITNXPABIKODVQN-OAHLLOKOSA-N -1 3 379.243 3.764 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1cccs1)C1CC1 ZINC001343286175 1053678022 /nfs/dbraw/zinc/67/80/22/1053678022.db2.gz FCGPDQYNBOQYGO-UHFFFAOYSA-N -1 3 382.493 3.556 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001343733819 1053991373 /nfs/dbraw/zinc/99/13/73/1053991373.db2.gz QXLLJUMEALJGRH-INIZCTEOSA-N -1 3 381.436 3.565 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cnc(-c2ccccc2)s1 ZINC001319287101 1055156035 /nfs/dbraw/zinc/15/60/35/1055156035.db2.gz FEIYKFRRSNFUPR-UHFFFAOYSA-N -1 3 392.484 3.648 20 30 GHEDHM CC(C)(C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(F)nc1 ZINC001320461910 1055815662 /nfs/dbraw/zinc/81/56/62/1055815662.db2.gz VQYRTYIEWJYSOI-UHFFFAOYSA-N -1 3 386.452 3.743 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1c[nH]c2ccc(OC)cc12 ZINC001321609192 1056338673 /nfs/dbraw/zinc/33/86/73/1056338673.db2.gz GJLZHFUOOJIBBX-UHFFFAOYSA-N -1 3 394.456 3.530 20 30 GHEDHM N#Cc1cc(NC(=O)c2cnc3ccc(Br)cc3c2[O-])ccc1F ZINC001443095569 1059062273 /nfs/dbraw/zinc/06/22/73/1059062273.db2.gz YPAUHZWXKFIIPF-UHFFFAOYSA-N -1 3 386.180 3.554 20 30 GHEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001444533961 1059334637 /nfs/dbraw/zinc/33/46/37/1059334637.db2.gz VWHMVWPPXFXLNE-APWZRJJASA-N -1 3 393.393 3.718 20 30 GHEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N(C)Cc1nnc(C)s1 ZINC001340301876 1059840791 /nfs/dbraw/zinc/84/07/91/1059840791.db2.gz NGWIUEVAYIWETM-UHFFFAOYSA-N -1 3 396.520 3.752 20 30 GHEDHM COC(=O)[C@@H](CC(F)(F)F)[N-]C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001447415377 1059961513 /nfs/dbraw/zinc/96/15/13/1059961513.db2.gz WGNGJUYEIVCDSH-SDKXAQGSSA-N -1 3 387.251 3.626 20 30 GHEDHM COC(=O)[C@H](CC(F)(F)F)[N-]C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001447415382 1059961925 /nfs/dbraw/zinc/96/19/25/1059961925.db2.gz WGNGJUYEIVCDSH-YAEJEKNGSA-N -1 3 387.251 3.626 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001341741221 1060852932 /nfs/dbraw/zinc/85/29/32/1060852932.db2.gz ZWKISHISDRFKSP-SFHVURJKSA-N -1 3 390.491 3.628 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1C ZINC001341919973 1060951287 /nfs/dbraw/zinc/95/12/87/1060951287.db2.gz GACHIFARGCEMEM-GFCCVEGCSA-N -1 3 392.242 3.975 20 30 GHEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1 ZINC001346240308 1061470926 /nfs/dbraw/zinc/47/09/26/1061470926.db2.gz SUDYWUZLUUXCLL-LBPRGKRZSA-N -1 3 379.247 3.870 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N([O-])CCCCc1ccccc1 ZINC001458009217 1063503060 /nfs/dbraw/zinc/50/30/60/1063503060.db2.gz QEGQMTWAQQKKME-SFHVURJKSA-N -1 3 376.497 3.921 20 30 GHEDHM Cc1c(Br)cc(C(=O)N([O-])Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001458016758 1063509382 /nfs/dbraw/zinc/50/93/82/1063509382.db2.gz NMXZLVADFQEZIV-UHFFFAOYSA-N -1 3 383.173 3.836 20 30 GHEDHM C=CCCn1cc(C(=O)[N-]c2nnc(-c3cc(Cl)cc(Cl)c3)s2)nn1 ZINC001437575938 1063899544 /nfs/dbraw/zinc/89/95/44/1063899544.db2.gz IRMQILAACHWXDK-UHFFFAOYSA-N -1 3 395.275 3.932 20 30 GHEDHM C=CCCC[C@H](C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001350427641 1064083137 /nfs/dbraw/zinc/08/31/37/1064083137.db2.gz BLDCZRKFGZGGDT-PMACEKPBSA-N -1 3 394.519 3.716 20 30 GHEDHM N#CC(=C([O-])c1cnn(-c2cccc(Br)c2)c1)c1cccc(F)n1 ZINC001357580281 1067174146 /nfs/dbraw/zinc/17/41/46/1067174146.db2.gz LWDFMVLQFSMRHD-AWEZNQCLSA-N -1 3 385.196 3.659 20 30 GHEDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C/N=C/c1cc(Cl)ccc1[O-])O2 ZINC000849172671 1067752133 /nfs/dbraw/zinc/75/21/33/1067752133.db2.gz XFTXPMVHAFUKIF-PZEXIZOFSA-N -1 3 380.872 3.633 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C(C)(C)C ZINC001475352735 1074845122 /nfs/dbraw/zinc/84/51/22/1074845122.db2.gz KONDWYSTSWTJAG-GFCCVEGCSA-N -1 3 378.719 3.737 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716970 598919220 /nfs/dbraw/zinc/91/92/20/598919220.db2.gz XTFRUHDZIXNUOG-UHFFFAOYSA-N -1 3 398.879 3.903 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737716970 598919222 /nfs/dbraw/zinc/91/92/22/598919222.db2.gz XTFRUHDZIXNUOG-UHFFFAOYSA-N -1 3 398.879 3.903 20 30 GHEDHM CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736843244 598919346 /nfs/dbraw/zinc/91/93/46/598919346.db2.gz IMJYVPOUPZVOCS-UHFFFAOYSA-N -1 3 395.426 3.759 20 30 GHEDHM CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736843244 598919348 /nfs/dbraw/zinc/91/93/48/598919348.db2.gz IMJYVPOUPZVOCS-UHFFFAOYSA-N -1 3 395.426 3.759 20 30 GHEDHM N#Cc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1-c1nnn[n-]1 ZINC000737709359 598921612 /nfs/dbraw/zinc/92/16/12/598921612.db2.gz KFRHNCMVMJPHFW-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM N#Cc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1-c1nn[n-]n1 ZINC000737709359 598921613 /nfs/dbraw/zinc/92/16/13/598921613.db2.gz KFRHNCMVMJPHFW-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1-c1nnn[n-]1 ZINC000737719559 598922027 /nfs/dbraw/zinc/92/20/27/598922027.db2.gz WGWDXSNMNLGNIR-UHFFFAOYSA-N -1 3 392.850 3.842 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1-c1nn[n-]n1 ZINC000737719559 598922029 /nfs/dbraw/zinc/92/20/29/598922029.db2.gz WGWDXSNMNLGNIR-UHFFFAOYSA-N -1 3 392.850 3.842 20 30 GHEDHM C=CC[C@@H](NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409078 599146916 /nfs/dbraw/zinc/14/69/16/599146916.db2.gz BFKNIULECMFSSF-LJQANCHMSA-N -1 3 391.479 3.501 20 30 GHEDHM C=CC[C@@H](NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409078 599146918 /nfs/dbraw/zinc/14/69/18/599146918.db2.gz BFKNIULECMFSSF-LJQANCHMSA-N -1 3 391.479 3.501 20 30 GHEDHM COc1ccc(C=C2CCOc3c(Cl)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737085240 599155681 /nfs/dbraw/zinc/15/56/81/599155681.db2.gz ZPQNOSWGNONTAI-XFXZXTDPSA-N -1 3 382.807 3.578 20 30 GHEDHM COc1ccc(C=C2CCOc3c(Cl)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737085240 599155684 /nfs/dbraw/zinc/15/56/84/599155684.db2.gz ZPQNOSWGNONTAI-XFXZXTDPSA-N -1 3 382.807 3.578 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000735419139 599183749 /nfs/dbraw/zinc/18/37/49/599183749.db2.gz PNXBSNBWFLLUTD-GOSISDBHSA-N -1 3 391.500 3.661 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000735419139 599183752 /nfs/dbraw/zinc/18/37/52/599183752.db2.gz PNXBSNBWFLLUTD-GOSISDBHSA-N -1 3 391.500 3.661 20 30 GHEDHM Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cccc1-c1nnn[n-]1 ZINC000822116239 607296932 /nfs/dbraw/zinc/29/69/32/607296932.db2.gz OMSLMSFCQSYCLB-UHFFFAOYSA-N -1 3 380.411 3.966 20 30 GHEDHM Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cccc1-c1nn[n-]n1 ZINC000822116239 607296933 /nfs/dbraw/zinc/29/69/33/607296933.db2.gz OMSLMSFCQSYCLB-UHFFFAOYSA-N -1 3 380.411 3.966 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735416389 598231101 /nfs/dbraw/zinc/23/11/01/598231101.db2.gz IDWWJRSPFCPQME-CQSZACIVSA-N -1 3 379.420 3.579 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735416389 598231102 /nfs/dbraw/zinc/23/11/02/598231102.db2.gz IDWWJRSPFCPQME-CQSZACIVSA-N -1 3 379.420 3.579 20 30 GHEDHM C=CCN(CC=C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735419532 598266226 /nfs/dbraw/zinc/26/62/26/598266226.db2.gz UNMFGZIGKJYRKY-UHFFFAOYSA-N -1 3 376.420 3.865 20 30 GHEDHM C=CCN(CC=C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735419532 598266228 /nfs/dbraw/zinc/26/62/28/598266228.db2.gz UNMFGZIGKJYRKY-UHFFFAOYSA-N -1 3 376.420 3.865 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc2ccccc2c1 ZINC000735421426 598269756 /nfs/dbraw/zinc/26/97/56/598269756.db2.gz ZIJHVCHBNQLOKH-UHFFFAOYSA-N -1 3 398.470 3.918 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc2ccccc2c1 ZINC000735421426 598269757 /nfs/dbraw/zinc/26/97/57/598269757.db2.gz ZIJHVCHBNQLOKH-UHFFFAOYSA-N -1 3 398.470 3.918 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(OC(C)C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201663 598377160 /nfs/dbraw/zinc/37/71/60/598377160.db2.gz FZYWKQPDWPLBMA-DHZHZOJOSA-N -1 3 377.448 3.606 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(OC(C)C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201663 598377162 /nfs/dbraw/zinc/37/71/62/598377162.db2.gz FZYWKQPDWPLBMA-DHZHZOJOSA-N -1 3 377.448 3.606 20 30 GHEDHM C#CCOc1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000735380636 598494430 /nfs/dbraw/zinc/49/44/30/598494430.db2.gz KNDBZVFRVFCVBN-UHFFFAOYSA-N -1 3 395.422 3.798 20 30 GHEDHM C#CCOc1cccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000735380636 598494431 /nfs/dbraw/zinc/49/44/31/598494431.db2.gz KNDBZVFRVFCVBN-UHFFFAOYSA-N -1 3 395.422 3.798 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)c1 ZINC000735391155 598610345 /nfs/dbraw/zinc/61/03/45/598610345.db2.gz NKOIZUGCXHAGBQ-UHFFFAOYSA-N -1 3 382.427 3.508 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)c1 ZINC000735391169 598669430 /nfs/dbraw/zinc/66/94/30/598669430.db2.gz NUKUVBYZUMPSPS-UHFFFAOYSA-N -1 3 396.454 3.532 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000735419785 598782348 /nfs/dbraw/zinc/78/23/48/598782348.db2.gz IRAULYPNJDHOLQ-IEBWSBKVSA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000735419785 598782349 /nfs/dbraw/zinc/78/23/49/598782349.db2.gz IRAULYPNJDHOLQ-IEBWSBKVSA-N -1 3 382.512 3.779 20 30 GHEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC1CCCC1 ZINC000738008533 600597697 /nfs/dbraw/zinc/59/76/97/600597697.db2.gz MWFBTJQQSRZSJR-OAQYLSRUSA-N -1 3 380.444 3.804 20 30 GHEDHM CN(CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(=O)[O-] ZINC000739618227 602622321 /nfs/dbraw/zinc/62/23/21/602622321.db2.gz XTLTUJHCMLAOHH-JTQLQIEISA-N -1 3 384.244 3.903 20 30 GHEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000736359482 604373234 /nfs/dbraw/zinc/37/32/34/604373234.db2.gz DSCQJOXZGUIPNA-SKDRFNHKSA-N -1 3 385.367 3.784 20 30 GHEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000819865838 606102523 /nfs/dbraw/zinc/10/25/23/606102523.db2.gz IOMRYCJLAPVPMD-VIFPVBQESA-N -1 3 387.230 3.787 20 30 GHEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000819865838 606102525 /nfs/dbraw/zinc/10/25/25/606102525.db2.gz IOMRYCJLAPVPMD-VIFPVBQESA-N -1 3 387.230 3.787 20 30 GHEDHM C=CCN(Cc1ncc(-c2cccc(F)c2)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745924 606158945 /nfs/dbraw/zinc/15/89/45/606158945.db2.gz VDLCZAKJPQOJJE-UHFFFAOYSA-N -1 3 390.422 3.849 20 30 GHEDHM C=CCN(Cc1ncc(-c2cccc(F)c2)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745924 606158946 /nfs/dbraw/zinc/15/89/46/606158946.db2.gz VDLCZAKJPQOJJE-UHFFFAOYSA-N -1 3 390.422 3.849 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C\c1cccc(F)c1 ZINC000819743313 606537035 /nfs/dbraw/zinc/53/70/35/606537035.db2.gz GORHZYPGYSJAMH-ALCCZGGFSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C\c1cccc(F)c1 ZINC000819743313 606537036 /nfs/dbraw/zinc/53/70/36/606537036.db2.gz GORHZYPGYSJAMH-ALCCZGGFSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCC(CC=C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819733688 606951205 /nfs/dbraw/zinc/95/12/05/606951205.db2.gz ADCKXZKVHFQWDZ-UHFFFAOYSA-N -1 3 379.489 3.980 20 30 GHEDHM C=CCn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1cccc(Cl)c1 ZINC000819764041 607034901 /nfs/dbraw/zinc/03/49/01/607034901.db2.gz DKSBDYYLGYMBAV-UHFFFAOYSA-N -1 3 396.867 3.511 20 30 GHEDHM C=CCn1c(Sc2ccc(-c3nn[n-]n3)cn2)nnc1-c1cccc(Cl)c1 ZINC000819764041 607034903 /nfs/dbraw/zinc/03/49/03/607034903.db2.gz DKSBDYYLGYMBAV-UHFFFAOYSA-N -1 3 396.867 3.511 20 30 GHEDHM N#Cc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000826385849 607844227 /nfs/dbraw/zinc/84/42/27/607844227.db2.gz DXRHXUXZRUNCBW-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000826385849 607844228 /nfs/dbraw/zinc/84/42/28/607844228.db2.gz DXRHXUXZRUNCBW-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM C=CCCC(=O)COC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823888696 608056941 /nfs/dbraw/zinc/05/69/41/608056941.db2.gz UGLPAGWKSJAKNJ-UHFFFAOYSA-N -1 3 394.456 3.710 20 30 GHEDHM C=CCCC(=O)COC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823888696 608056942 /nfs/dbraw/zinc/05/69/42/608056942.db2.gz UGLPAGWKSJAKNJ-UHFFFAOYSA-N -1 3 394.456 3.710 20 30 GHEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000826385268 608301924 /nfs/dbraw/zinc/30/19/24/608301924.db2.gz FACZRHPICUAMFC-UHFFFAOYSA-N -1 3 395.426 3.727 20 30 GHEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826385268 608301925 /nfs/dbraw/zinc/30/19/25/608301925.db2.gz FACZRHPICUAMFC-UHFFFAOYSA-N -1 3 395.426 3.727 20 30 GHEDHM COc1ccc(C=C2CCOc3cc(Cl)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190913 608386870 /nfs/dbraw/zinc/38/68/70/608386870.db2.gz QODJJONVRXXQDP-WQLSENKSSA-N -1 3 382.807 3.578 20 30 GHEDHM COc1ccc(C=C2CCOc3cc(Cl)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190913 608386872 /nfs/dbraw/zinc/38/68/72/608386872.db2.gz QODJJONVRXXQDP-WQLSENKSSA-N -1 3 382.807 3.578 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000823909507 608583749 /nfs/dbraw/zinc/58/37/49/608583749.db2.gz GUBBGVOKLOSIEG-GOSISDBHSA-N -1 3 393.878 3.765 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000823909507 608583751 /nfs/dbraw/zinc/58/37/51/608583751.db2.gz GUBBGVOKLOSIEG-GOSISDBHSA-N -1 3 393.878 3.765 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccoc1C ZINC000823937320 608668789 /nfs/dbraw/zinc/66/87/89/608668789.db2.gz RQJRGPSZKYMDGJ-UHFFFAOYSA-N -1 3 397.439 3.644 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccoc1C ZINC000823937320 608668790 /nfs/dbraw/zinc/66/87/90/608668790.db2.gz RQJRGPSZKYMDGJ-UHFFFAOYSA-N -1 3 397.439 3.644 20 30 GHEDHM N#CCN(Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CCCC1 ZINC000826382016 608716987 /nfs/dbraw/zinc/71/69/87/608716987.db2.gz KXTHDSFQUFWOFY-UHFFFAOYSA-N -1 3 388.475 3.714 20 30 GHEDHM N#CCN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CCCC1 ZINC000826382016 608716988 /nfs/dbraw/zinc/71/69/88/608716988.db2.gz KXTHDSFQUFWOFY-UHFFFAOYSA-N -1 3 388.475 3.714 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(CC)c(C)c1 ZINC000823909742 608818590 /nfs/dbraw/zinc/81/85/90/608818590.db2.gz PIDPUUNTZODSTC-UHFFFAOYSA-N -1 3 376.464 3.958 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(CC)c(C)c1 ZINC000823909742 608818594 /nfs/dbraw/zinc/81/85/94/608818594.db2.gz PIDPUUNTZODSTC-UHFFFAOYSA-N -1 3 376.464 3.958 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000826400735 608875266 /nfs/dbraw/zinc/87/52/66/608875266.db2.gz GPAIYKMIJCLTSL-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000826400735 608875268 /nfs/dbraw/zinc/87/52/68/608875268.db2.gz GPAIYKMIJCLTSL-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM CC1(C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@H]1OCc1ccccc1 ZINC000824783388 609160671 /nfs/dbraw/zinc/16/06/71/609160671.db2.gz GCICXIQBLSVQLP-OAHLLOKOSA-N -1 3 397.870 3.698 20 30 GHEDHM CC1(C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@H]1OCc1ccccc1 ZINC000824783388 609160672 /nfs/dbraw/zinc/16/06/72/609160672.db2.gz GCICXIQBLSVQLP-OAHLLOKOSA-N -1 3 397.870 3.698 20 30 GHEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)cc2C)c1-c1nnn[n-]1 ZINC000826257338 609168990 /nfs/dbraw/zinc/16/89/90/609168990.db2.gz YHRMERQFGMSENZ-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)cc2C)c1-c1nn[n-]n1 ZINC000826257338 609168992 /nfs/dbraw/zinc/16/89/92/609168992.db2.gz YHRMERQFGMSENZ-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OCC(C)C ZINC000826190612 609274175 /nfs/dbraw/zinc/27/41/75/609274175.db2.gz HPSOMFVDFLOZNW-YWEYNIOJSA-N -1 3 396.422 3.945 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OCC(C)C ZINC000826190612 609274176 /nfs/dbraw/zinc/27/41/76/609274176.db2.gz HPSOMFVDFLOZNW-YWEYNIOJSA-N -1 3 396.422 3.945 20 30 GHEDHM CC(=NNc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963093 609276033 /nfs/dbraw/zinc/27/60/33/609276033.db2.gz VIESJTMKEKYESF-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963093 609276034 /nfs/dbraw/zinc/27/60/34/609276034.db2.gz VIESJTMKEKYESF-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(F)c(Br)c(Cl)c1 ZINC000796818687 835947447 /nfs/dbraw/zinc/94/74/47/835947447.db2.gz PXCDGEIBOVGLNM-SECBINFHSA-N -1 3 396.603 3.598 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1C(F)(F)F ZINC000540894409 837279219 /nfs/dbraw/zinc/27/92/19/837279219.db2.gz JRTKYIIEAOCXPY-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM CC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000122189600 837992858 /nfs/dbraw/zinc/99/28/58/837992858.db2.gz LRSBAABLHJOBBM-NSHDSACASA-N -1 3 396.827 3.739 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(F)(F)F ZINC000177622779 838033654 /nfs/dbraw/zinc/03/36/54/838033654.db2.gz CXWPNTCFGLBURY-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM N[C@](C(=O)Nc1cc(F)ccc1[O-])(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000431858744 838656154 /nfs/dbraw/zinc/65/61/54/838656154.db2.gz PEUTUODNSKVXPK-AWEZNQCLSA-N -1 3 396.262 3.905 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2 ZINC000728766691 840439599 /nfs/dbraw/zinc/43/95/99/840439599.db2.gz GGANHMZYJWCJTE-MRXNPFEDSA-N -1 3 382.485 3.907 20 30 GHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Br)cc(C)c1OC(F)F ZINC000417634942 841072793 /nfs/dbraw/zinc/07/27/93/841072793.db2.gz ZLPGVWJIJUJOJI-GFCCVEGCSA-N -1 3 378.213 3.868 20 30 GHEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000255290041 841098016 /nfs/dbraw/zinc/09/80/16/841098016.db2.gz LMGRVYUCFUKJCA-QKIRZYONSA-N -1 3 379.416 3.893 20 30 GHEDHM Cc1c(Br)ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1F ZINC000619463930 842320797 /nfs/dbraw/zinc/32/07/97/842320797.db2.gz AKLQUZUVGFVBPP-UHFFFAOYSA-N -1 3 383.242 3.764 20 30 GHEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000024892645 844993995 /nfs/dbraw/zinc/99/39/95/844993995.db2.gz LIWAZTDCXAEYDG-UHFFFAOYSA-N -1 3 390.464 3.710 20 30 GHEDHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n1 ZINC000603974462 861521899 /nfs/dbraw/zinc/52/18/99/861521899.db2.gz SKDXAQIWVDTANY-UHFFFAOYSA-N -1 3 386.864 3.815 20 30 GHEDHM CC(=NNc1cccc2cnccc21)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000728432998 845428274 /nfs/dbraw/zinc/42/82/74/845428274.db2.gz MOGTWJXXUHBXNN-UHFFFAOYSA-N -1 3 376.460 3.609 20 30 GHEDHM N#Cc1ccccc1COc1cccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000731318888 861573312 /nfs/dbraw/zinc/57/33/12/861573312.db2.gz LVYKKFMFSIMXGI-LPYMAVHISA-N -1 3 380.403 3.948 20 30 GHEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1OCCCC#N ZINC000277397661 845968026 /nfs/dbraw/zinc/96/80/26/845968026.db2.gz RRIFLEZILNGJQZ-NRFANRHFSA-N -1 3 382.460 3.910 20 30 GHEDHM Cc1c(C#N)cccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000513605856 846164846 /nfs/dbraw/zinc/16/48/46/846164846.db2.gz ZEGMTMKJQCVBSF-UHFFFAOYSA-N -1 3 397.862 3.717 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1OCCC(C)C ZINC000072069862 846360790 /nfs/dbraw/zinc/36/07/90/846360790.db2.gz LCJAUULXXBETFB-UHFFFAOYSA-N -1 3 395.503 3.537 20 30 GHEDHM COc1cccc([C@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])N(C)C)c1 ZINC000255491860 846468048 /nfs/dbraw/zinc/46/80/48/846468048.db2.gz XCVJYHSIIQSHDL-NAGKPISUSA-N -1 3 377.828 3.684 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000501806410 847188434 /nfs/dbraw/zinc/18/84/34/847188434.db2.gz YZHCFPDBXFRADX-UHFFFAOYSA-N -1 3 389.477 3.502 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000487575597 850737432 /nfs/dbraw/zinc/73/74/32/850737432.db2.gz PJERDQSYGKNLMP-FQEVSTJZSA-N -1 3 376.460 3.760 20 30 GHEDHM C=CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000435723969 850808503 /nfs/dbraw/zinc/80/85/03/850808503.db2.gz BCYCRANICBTYSN-CQSZACIVSA-N -1 3 398.937 3.504 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000604468183 862209578 /nfs/dbraw/zinc/20/95/78/862209578.db2.gz HWARZZSWKXEYEP-LLVKDONJSA-N -1 3 394.500 3.905 20 30 GHEDHM N#CC1(NC(=O)c2ccc3ccccc3c2[O-])CCN(Cc2ccccc2)CC1 ZINC000436884795 852456656 /nfs/dbraw/zinc/45/66/56/852456656.db2.gz HTEMCVVSKWCWBF-UHFFFAOYSA-N -1 3 385.467 3.834 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)nc1-2 ZINC000429598706 852896328 /nfs/dbraw/zinc/89/63/28/852896328.db2.gz QMRRVVBPOHPJML-ZDUSSCGKSA-N -1 3 377.404 3.962 20 30 GHEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299296 853209183 /nfs/dbraw/zinc/20/91/83/853209183.db2.gz YYLOBKLHRGHMGW-UHFFFAOYSA-N -1 3 383.429 3.743 20 30 GHEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299296 853209190 /nfs/dbraw/zinc/20/91/90/853209190.db2.gz YYLOBKLHRGHMGW-UHFFFAOYSA-N -1 3 383.429 3.743 20 30 GHEDHM COc1cc(CNc2ncc(Cc3ccc(C#N)cc3)s2)c([N+](=O)[O-])cc1[O-] ZINC000185934908 862475163 /nfs/dbraw/zinc/47/51/63/862475163.db2.gz UXNKIUHSUKZHDU-UHFFFAOYSA-N -1 3 396.428 3.840 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000156491224 853822137 /nfs/dbraw/zinc/82/21/37/853822137.db2.gz KSKVLIBUSSLLMN-AWEZNQCLSA-N -1 3 377.278 3.575 20 30 GHEDHM CCc1cc(N2CCC[C@H](/N=C\c3cc(Br)ccc3[O-])C2)ncn1 ZINC000732913458 862587244 /nfs/dbraw/zinc/58/72/44/862587244.db2.gz VSSJVQDNIIBYCF-OBLBUWMUSA-N -1 3 389.297 3.595 20 30 GHEDHM CCOc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000732899718 862594373 /nfs/dbraw/zinc/59/43/73/862594373.db2.gz BVNJHUCTOOCEAZ-NSHDSACASA-N -1 3 378.215 3.748 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000589592496 855075104 /nfs/dbraw/zinc/07/51/04/855075104.db2.gz JQYVEKQVJOFPGB-UHFFFAOYSA-N -1 3 387.205 3.594 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000133912246 862755469 /nfs/dbraw/zinc/75/54/69/862755469.db2.gz ZFKXUOFEQXAGBY-FQEVSTJZSA-N -1 3 391.515 3.810 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)c1C ZINC000128971891 856146294 /nfs/dbraw/zinc/14/62/94/856146294.db2.gz QUSQCLYCSBSDBY-KRWDZBQOSA-N -1 3 388.427 3.541 20 30 GHEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC000508074333 856893888 /nfs/dbraw/zinc/89/38/88/856893888.db2.gz OXJMZBYYBGOYAV-UHFFFAOYSA-N -1 3 399.255 3.761 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(-c3ccc(C)o3)nc2C)cc1 ZINC000131821820 856997701 /nfs/dbraw/zinc/99/77/01/856997701.db2.gz DANYRDJIIZWCND-OAHLLOKOSA-N -1 3 395.440 3.990 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000041894139 857311751 /nfs/dbraw/zinc/31/17/51/857311751.db2.gz DIOBIMAKDJQGLH-YJYMSZOUSA-N -1 3 393.487 3.704 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)ccc1C#N ZINC000486558597 857857194 /nfs/dbraw/zinc/85/71/94/857857194.db2.gz KAOLVMALRODEJY-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM C[C@H](c1ccncc1)N1CCC(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000158274197 858604566 /nfs/dbraw/zinc/60/45/66/858604566.db2.gz YFQNWIDHSLMHOL-UMYHVIPVSA-N -1 3 388.855 3.993 20 30 GHEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc2CC[C@@H]1C ZINC000593165950 858858323 /nfs/dbraw/zinc/85/83/23/858858323.db2.gz IIPGDKGKKKCOGA-VHSXEESVSA-N -1 3 378.475 3.554 20 30 GHEDHM COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000598197319 860141068 /nfs/dbraw/zinc/14/10/68/860141068.db2.gz RZYHNRSPKCVWCF-LJQANCHMSA-N -1 3 397.450 3.720 20 30 GHEDHM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N([O-])Cc2cccc3ccccc32)no1 ZINC000904171068 860200354 /nfs/dbraw/zinc/20/03/54/860200354.db2.gz QQGMPLJSBZUXLU-CQSZACIVSA-N -1 3 399.472 3.614 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000127069001 863201069 /nfs/dbraw/zinc/20/10/69/863201069.db2.gz SDTMWUKXDZYRMG-INIZCTEOSA-N -1 3 395.415 3.862 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1[O-] ZINC000734095864 863976824 /nfs/dbraw/zinc/97/68/24/863976824.db2.gz IGQANQMFHWTIOP-UHFFFAOYSA-N -1 3 397.475 3.632 20 30 GHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000554727565 864777641 /nfs/dbraw/zinc/77/76/41/864777641.db2.gz VNQANDUNCWIPDF-ZDUSSCGKSA-N -1 3 379.707 3.709 20 30 GHEDHM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc([O-])c(F)c2)cc1C ZINC000156226342 864783846 /nfs/dbraw/zinc/78/38/46/864783846.db2.gz NRKLMZXNKOXRLK-UHFFFAOYSA-N -1 3 392.434 3.855 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc2[nH]ncc21 ZINC000499274745 881853455 /nfs/dbraw/zinc/85/34/55/881853455.db2.gz RRUKKMCLGKXESX-UHFFFAOYSA-N -1 3 380.351 3.563 20 30 GHEDHM COc1cc(/C=C\C(=O)c2ccnn2C2CCC2)cc(Br)c1[O-] ZINC000899396687 865940690 /nfs/dbraw/zinc/94/06/90/865940690.db2.gz GVOTZMDBDCZMOS-WAYWQWQTSA-N -1 3 377.238 3.981 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccccc3Br)CC2)c1[O-] ZINC000741165318 866278488 /nfs/dbraw/zinc/27/84/88/866278488.db2.gz KLBCQAULDUTROI-UKWGHVSLSA-N -1 3 375.266 3.501 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC)c(CC)c2)cc1 ZINC000534497283 866893127 /nfs/dbraw/zinc/89/31/27/866893127.db2.gz PTIZFCVLNPXGHB-UHFFFAOYSA-N -1 3 387.505 3.920 20 30 GHEDHM O=C1C[C@H](/N=C/c2cc(Br)ccc2[O-])CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000743045201 867779568 /nfs/dbraw/zinc/77/95/68/867779568.db2.gz ZFBSMVSWFUYYBC-PCVXFMPVSA-N -1 3 399.288 3.731 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000535094100 868154320 /nfs/dbraw/zinc/15/43/20/868154320.db2.gz FMJIIIGASRKVSV-CQSZACIVSA-N -1 3 378.215 3.652 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C1CC1 ZINC000744033641 868562717 /nfs/dbraw/zinc/56/27/17/868562717.db2.gz SZWXDLQJWDFGAM-CYBMUJFWSA-N -1 3 377.231 3.565 20 30 GHEDHM CCOc1ccc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000016141944 868843631 /nfs/dbraw/zinc/84/36/31/868843631.db2.gz DTWDNHBWRGRYCP-OAQYLSRUSA-N -1 3 393.487 3.558 20 30 GHEDHM C#CCOc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000745218503 869388121 /nfs/dbraw/zinc/38/81/21/869388121.db2.gz XCXFPZOQBFYFTH-LBPRGKRZSA-N -1 3 382.441 3.944 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccccc3Br)CCC2)c1[O-] ZINC000793667485 882357805 /nfs/dbraw/zinc/35/78/05/882357805.db2.gz JIIMQWGAJOCZDB-UFFVCSGVSA-N -1 3 389.293 3.891 20 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-1 3 395.269 3.671 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(-c3ccccc3Cl)on2)c1 ZINC001342608938 1053261746 /nfs/dbraw/zinc/26/17/46/1053261746.db2.gz ZCZWQSZJSCIUFX-HNNXBMFYSA-N -1 3 395.802 3.965 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn(C2CCC2)c1 ZINC001343510821 1053827563 /nfs/dbraw/zinc/82/75/63/1053827563.db2.gz VKHCKZCRRJUHMK-CYBMUJFWSA-N -1 3 377.231 3.876 20 30 GHEDHM C[C@H]1CCc2sc([N-]C(=O)c3ncc(C(N)=O)cc3Cl)c(C#N)c2[C@H]1C ZINC001344968626 1054830929 /nfs/dbraw/zinc/83/09/29/1054830929.db2.gz CDUBPSVPDJFTPU-IUCAKERBSA-N -1 3 388.880 3.705 20 30 GHEDHM C#CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Br)c1ccccc1 ZINC001319507367 1055297699 /nfs/dbraw/zinc/29/76/99/1055297699.db2.gz NOAQYSZTPUNZCQ-OAHLLOKOSA-N -1 3 382.254 3.631 20 30 GHEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC001320980130 1056042176 /nfs/dbraw/zinc/04/21/76/1056042176.db2.gz KUGGFNDREOFEJI-QMMMGPOBSA-N -1 3 392.202 3.598 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H]3CCC[C@H]3C#N)n2CCOC)c1[O-] ZINC001354942479 1056990826 /nfs/dbraw/zinc/99/08/26/1056990826.db2.gz AASOSAPUPHCMIJ-HKUYNNGSSA-N -1 3 395.507 3.544 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(C(C)(C)C#N)cc1)[n-]c2=O ZINC000848405134 1057068370 /nfs/dbraw/zinc/06/83/70/1057068370.db2.gz ANICLSXPJPUJLP-UHFFFAOYSA-N -1 3 377.452 3.534 20 30 GHEDHM O=C(c1cc(-n2ccnn2)ccc1F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457994451 1063494211 /nfs/dbraw/zinc/49/42/11/1063494211.db2.gz JXZDVWWUZNJKNU-UHFFFAOYSA-N -1 3 381.194 3.745 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC23CCCCC3)ccc1F ZINC001437636407 1063910401 /nfs/dbraw/zinc/91/04/01/1063910401.db2.gz XQMYDBHMRSFERK-SFHVURJKSA-N -1 3 394.512 3.523 20 30 GHEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC001300220207 1065741270 /nfs/dbraw/zinc/74/12/70/1065741270.db2.gz OUNGMELMNZEBLF-ZDUSSCGKSA-N -1 3 387.261 3.874 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)nc(C2CC2)c1 ZINC000847624854 1065780956 /nfs/dbraw/zinc/78/09/56/1065780956.db2.gz YPBXXRSGCPNCJK-AWEZNQCLSA-N -1 3 383.835 3.972 20 30 GHEDHM N#CC[C@@H](CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1 ZINC001472242276 1073381300 /nfs/dbraw/zinc/38/13/00/1073381300.db2.gz HOUZIMLMMGVAGI-SFHVURJKSA-N -1 3 388.427 3.793 20 30 GHEDHM N#CC[C@@H](CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1 ZINC001472242276 1073381306 /nfs/dbraw/zinc/38/13/06/1073381306.db2.gz HOUZIMLMMGVAGI-SFHVURJKSA-N -1 3 388.427 3.793 20 30 GHEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001475528776 1074905376 /nfs/dbraw/zinc/90/53/76/1074905376.db2.gz XIUVLTRBBZSNFZ-UHFFFAOYSA-N -1 3 396.734 3.992 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001476150024 1075095963 /nfs/dbraw/zinc/09/59/63/1075095963.db2.gz KKPVUTYWWSAIHI-ZDUSSCGKSA-N -1 3 393.476 3.829 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001476150024 1075095966 /nfs/dbraw/zinc/09/59/66/1075095966.db2.gz KKPVUTYWWSAIHI-ZDUSSCGKSA-N -1 3 393.476 3.829 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737709893 598916912 /nfs/dbraw/zinc/91/69/12/598916912.db2.gz RVIUGWMJKDUSIT-UHFFFAOYSA-N -1 3 390.350 3.603 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737709893 598916914 /nfs/dbraw/zinc/91/69/14/598916914.db2.gz RVIUGWMJKDUSIT-UHFFFAOYSA-N -1 3 390.350 3.603 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)ccc1-c1nnn[n-]1 ZINC000737709309 598925592 /nfs/dbraw/zinc/92/55/92/598925592.db2.gz MQPAUZHIRUJRBU-UHFFFAOYSA-N -1 3 391.394 3.692 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)ccc1-c1nn[n-]n1 ZINC000737709309 598925594 /nfs/dbraw/zinc/92/55/94/598925594.db2.gz MQPAUZHIRUJRBU-UHFFFAOYSA-N -1 3 391.394 3.692 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000819759249 607256472 /nfs/dbraw/zinc/25/64/72/607256472.db2.gz QNNBDVSOVHYGBX-UHFFFAOYSA-N -1 3 380.477 3.504 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000819759249 607256473 /nfs/dbraw/zinc/25/64/73/607256473.db2.gz QNNBDVSOVHYGBX-UHFFFAOYSA-N -1 3 380.477 3.504 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000735391418 598985682 /nfs/dbraw/zinc/98/56/82/598985682.db2.gz SRGIWEXKQYLTFJ-UHFFFAOYSA-N -1 3 395.422 3.679 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000735391418 598985683 /nfs/dbraw/zinc/98/56/83/598985683.db2.gz SRGIWEXKQYLTFJ-UHFFFAOYSA-N -1 3 395.422 3.679 20 30 GHEDHM O=C1C(=Cc2csc(Br)c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504486 599115015 /nfs/dbraw/zinc/11/50/15/599115015.db2.gz QTIDDXYHFQKYJX-WZUFQYTHSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2csc(Br)c2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504486 599115017 /nfs/dbraw/zinc/11/50/17/599115017.db2.gz QTIDDXYHFQKYJX-WZUFQYTHSA-N -1 3 387.262 3.903 20 30 GHEDHM CCc1ccccc1NN=C(C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736701903 599148504 /nfs/dbraw/zinc/14/85/04/599148504.db2.gz KPZUAZMXLALGFG-UHFFFAOYSA-N -1 3 386.463 3.759 20 30 GHEDHM COc1ccc(C=C2CCOc3ccc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737082152 599156422 /nfs/dbraw/zinc/15/64/22/599156422.db2.gz IIXZLRBDLWSVSS-XYOKQWHBSA-N -1 3 382.807 3.578 20 30 GHEDHM COc1ccc(C=C2CCOc3ccc(Cl)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737082152 599156424 /nfs/dbraw/zinc/15/64/24/599156424.db2.gz IIXZLRBDLWSVSS-XYOKQWHBSA-N -1 3 382.807 3.578 20 30 GHEDHM COc1ccc2cc(C=CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)ccc2c1 ZINC000737118910 599193500 /nfs/dbraw/zinc/19/35/00/599193500.db2.gz JHYPOJYLTMRZQN-YCRREMRBSA-N -1 3 396.410 3.552 20 30 GHEDHM COc1ccc2cc(C=CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)ccc2c1 ZINC000737118910 599193502 /nfs/dbraw/zinc/19/35/02/599193502.db2.gz JHYPOJYLTMRZQN-YCRREMRBSA-N -1 3 396.410 3.552 20 30 GHEDHM O=C1C(=Cc2ccc(Oc3cnccn3)cc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503736 599237644 /nfs/dbraw/zinc/23/76/44/599237644.db2.gz HZZXYYROXMAEJZ-WJDWOHSUSA-N -1 3 396.410 3.662 20 30 GHEDHM O=C1C(=Cc2ccc(Oc3cnccn3)cc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503736 599237646 /nfs/dbraw/zinc/23/76/46/599237646.db2.gz HZZXYYROXMAEJZ-WJDWOHSUSA-N -1 3 396.410 3.662 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2OC(C)C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203959 598379059 /nfs/dbraw/zinc/37/90/59/598379059.db2.gz WVQHTUMPUPKNDB-KHPPLWFESA-N -1 3 377.448 3.606 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2OC(C)C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203959 598379060 /nfs/dbraw/zinc/37/90/60/598379060.db2.gz WVQHTUMPUPKNDB-KHPPLWFESA-N -1 3 377.448 3.606 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738289633 598513351 /nfs/dbraw/zinc/51/33/51/598513351.db2.gz KPUVSROWWCUQQV-VZUCSPMQSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738289633 598513353 /nfs/dbraw/zinc/51/33/53/598513353.db2.gz KPUVSROWWCUQQV-VZUCSPMQSA-N -1 3 385.196 3.591 20 30 GHEDHM N#Cc1ccsc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737728567 598555129 /nfs/dbraw/zinc/55/51/29/598555129.db2.gz RHVGRCXYUGNISZ-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccsc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737728567 598555130 /nfs/dbraw/zinc/55/51/30/598555130.db2.gz RHVGRCXYUGNISZ-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000736193147 598607214 /nfs/dbraw/zinc/60/72/14/598607214.db2.gz PVBMGLBBPZHDFR-MRVPVSSYSA-N -1 3 391.382 3.588 20 30 GHEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000736193147 598607215 /nfs/dbraw/zinc/60/72/15/598607215.db2.gz PVBMGLBBPZHDFR-MRVPVSSYSA-N -1 3 391.382 3.588 20 30 GHEDHM Cc1c(C(=O)C=Cc2c[nH]nc2-c2ccc(C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737288498 598640864 /nfs/dbraw/zinc/64/08/64/598640864.db2.gz PBZCIDGKHDXRLO-MDZDMXLPSA-N -1 3 399.458 3.517 20 30 GHEDHM Cc1c(C(=O)C=Cc2c[nH]nc2-c2ccc(C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737288498 598640866 /nfs/dbraw/zinc/64/08/66/598640866.db2.gz PBZCIDGKHDXRLO-MDZDMXLPSA-N -1 3 399.458 3.517 20 30 GHEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737730285 598648803 /nfs/dbraw/zinc/64/88/03/598648803.db2.gz HWXGRZBNPSRINB-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737730285 598648804 /nfs/dbraw/zinc/64/88/04/598648804.db2.gz HWXGRZBNPSRINB-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000735420775 598726689 /nfs/dbraw/zinc/72/66/89/598726689.db2.gz UCPNRGIOCBYGEH-MOPGFXCFSA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000735420775 598726690 /nfs/dbraw/zinc/72/66/90/598726690.db2.gz UCPNRGIOCBYGEH-MOPGFXCFSA-N -1 3 382.512 3.779 20 30 GHEDHM CCCCCCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736449221 598745221 /nfs/dbraw/zinc/74/52/21/598745221.db2.gz RFOYHAPLXJMTIW-UHFFFAOYSA-N -1 3 385.512 3.987 20 30 GHEDHM C=CCc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000735442409 598794313 /nfs/dbraw/zinc/79/43/13/598794313.db2.gz ALINAVPVHASNHJ-UHFFFAOYSA-N -1 3 385.855 3.878 20 30 GHEDHM C=CCc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000735442409 598794315 /nfs/dbraw/zinc/79/43/15/598794315.db2.gz ALINAVPVHASNHJ-UHFFFAOYSA-N -1 3 385.855 3.878 20 30 GHEDHM COc1ccc(C#N)cc1CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000821768893 607371962 /nfs/dbraw/zinc/37/19/62/607371962.db2.gz ARMAXRQQNBWAIH-UHFFFAOYSA-N -1 3 399.414 3.546 20 30 GHEDHM C[C@@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820689886 599620370 /nfs/dbraw/zinc/62/03/70/599620370.db2.gz DGTZSZLGBYRPRU-DAXOMENPSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820689886 599620371 /nfs/dbraw/zinc/62/03/71/599620371.db2.gz DGTZSZLGBYRPRU-DAXOMENPSA-N -1 3 392.488 3.993 20 30 GHEDHM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826256805 607428968 /nfs/dbraw/zinc/42/89/68/607428968.db2.gz ASWAGWXJQBCZQM-UHFFFAOYSA-N -1 3 378.461 3.630 20 30 GHEDHM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826256805 607428970 /nfs/dbraw/zinc/42/89/70/607428970.db2.gz ASWAGWXJQBCZQM-UHFFFAOYSA-N -1 3 378.461 3.630 20 30 GHEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(CCC(=O)[O-])C(C)C)c1C#N ZINC000738252916 600445568 /nfs/dbraw/zinc/44/55/68/600445568.db2.gz KQPDICLLQUHXMF-UHFFFAOYSA-N -1 3 388.512 3.605 20 30 GHEDHM N#Cc1ccc([C@@H](NCc2cccc(NC(=O)C3CCCC3)c2)C(=O)[O-])cc1 ZINC000739108944 600595332 /nfs/dbraw/zinc/59/53/32/600595332.db2.gz YRAMUNJIMVZKJY-HXUWFJFHSA-N -1 3 377.444 3.602 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000832935537 601869641 /nfs/dbraw/zinc/86/96/41/601869641.db2.gz NEEAPHVVBCFIQL-AVRDEDQJSA-N -1 3 393.487 3.602 20 30 GHEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000739303936 602671163 /nfs/dbraw/zinc/67/11/63/602671163.db2.gz NCDCMCMMUAFMTN-CABZTGNLSA-N -1 3 379.388 3.701 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196447 606327325 /nfs/dbraw/zinc/32/73/25/606327325.db2.gz JUBUPHYIJXOJKX-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196447 606327327 /nfs/dbraw/zinc/32/73/27/606327327.db2.gz JUBUPHYIJXOJKX-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820494473 606354780 /nfs/dbraw/zinc/35/47/80/606354780.db2.gz APFBFFLBYVEAFE-HNNXBMFYSA-N -1 3 391.431 3.592 20 30 GHEDHM C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820494473 606354781 /nfs/dbraw/zinc/35/47/81/606354781.db2.gz APFBFFLBYVEAFE-HNNXBMFYSA-N -1 3 391.431 3.592 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(Cl)cc(Cl)cc21 ZINC000823504804 606391503 /nfs/dbraw/zinc/39/15/03/606391503.db2.gz UTYKYKFLJRGFBL-CLTKARDFSA-N -1 3 379.228 3.894 20 30 GHEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822801407 606420686 /nfs/dbraw/zinc/42/06/86/606420686.db2.gz IZCVRRPVVUWWJQ-GJZGRUSLSA-N -1 3 399.380 3.557 20 30 GHEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000822801407 606420688 /nfs/dbraw/zinc/42/06/88/606420688.db2.gz IZCVRRPVVUWWJQ-GJZGRUSLSA-N -1 3 399.380 3.557 20 30 GHEDHM Cc1cc(C)c(C#N)c(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000822192860 606589129 /nfs/dbraw/zinc/58/91/29/606589129.db2.gz DBMFHURWAQZAFF-UHFFFAOYSA-N -1 3 388.403 3.644 20 30 GHEDHM Cc1cc(C)c(C#N)c(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000822192860 606589130 /nfs/dbraw/zinc/58/91/30/606589130.db2.gz DBMFHURWAQZAFF-UHFFFAOYSA-N -1 3 388.403 3.644 20 30 GHEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1Cl ZINC000822823654 606597678 /nfs/dbraw/zinc/59/76/78/606597678.db2.gz WSQAGUSOTHRQKB-UHFFFAOYSA-N -1 3 376.754 3.605 20 30 GHEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1Cl ZINC000822823654 606597679 /nfs/dbraw/zinc/59/76/79/606597679.db2.gz WSQAGUSOTHRQKB-UHFFFAOYSA-N -1 3 376.754 3.605 20 30 GHEDHM C=C[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000819730360 606833999 /nfs/dbraw/zinc/83/39/99/606833999.db2.gz XLHGXSDNHLYDFV-LBPRGKRZSA-N -1 3 398.854 3.795 20 30 GHEDHM C=C[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000819730360 606834002 /nfs/dbraw/zinc/83/40/02/606834002.db2.gz XLHGXSDNHLYDFV-LBPRGKRZSA-N -1 3 398.854 3.795 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Br ZINC000819772526 606835496 /nfs/dbraw/zinc/83/54/96/606835496.db2.gz FGUZHHJHQBJVOL-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM N#Cc1cc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)ccc1F ZINC000822818840 606928069 /nfs/dbraw/zinc/92/80/69/606928069.db2.gz HQVGTMHDOOWRCY-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM C=CCC(CC=C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819733916 606929870 /nfs/dbraw/zinc/92/98/70/606929870.db2.gz FKJQLJWKNANYLO-UHFFFAOYSA-N -1 3 380.477 3.621 20 30 GHEDHM C=CCC(CC=C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819733916 606929871 /nfs/dbraw/zinc/92/98/71/606929871.db2.gz FKJQLJWKNANYLO-UHFFFAOYSA-N -1 3 380.477 3.621 20 30 GHEDHM C#CCCCCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819693073 606955307 /nfs/dbraw/zinc/95/53/07/606955307.db2.gz NBRBCNUNNZLCPU-UHFFFAOYSA-N -1 3 391.500 3.692 20 30 GHEDHM C#CCCCCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819693073 606955308 /nfs/dbraw/zinc/95/53/08/606955308.db2.gz NBRBCNUNNZLCPU-UHFFFAOYSA-N -1 3 391.500 3.692 20 30 GHEDHM N#Cc1cccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3Cl)o2)c1 ZINC000826386547 607844194 /nfs/dbraw/zinc/84/41/94/607844194.db2.gz JIGSFMOXMHTPOR-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1cccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cc3Cl)o2)c1 ZINC000826386547 607844195 /nfs/dbraw/zinc/84/41/95/607844195.db2.gz JIGSFMOXMHTPOR-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM O=C1c2ccc(Br)cc2OCCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475393 607884413 /nfs/dbraw/zinc/88/44/13/607884413.db2.gz FCEBJBCYXQBEDY-XFXZXTDPSA-N -1 3 397.232 3.678 20 30 GHEDHM O=C1c2ccc(Br)cc2OCCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475393 607884414 /nfs/dbraw/zinc/88/44/14/607884414.db2.gz FCEBJBCYXQBEDY-XFXZXTDPSA-N -1 3 397.232 3.678 20 30 GHEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(N)cc1C ZINC000823958570 607964988 /nfs/dbraw/zinc/96/49/88/607964988.db2.gz RCLYEMGTLPUXFN-UHFFFAOYSA-N -1 3 375.358 3.612 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000826382153 607978998 /nfs/dbraw/zinc/97/89/98/607978998.db2.gz QQAOYGVILNJSNT-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826382153 607978999 /nfs/dbraw/zinc/97/89/99/607978999.db2.gz QQAOYGVILNJSNT-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CC2 ZINC000824347664 608015276 /nfs/dbraw/zinc/01/52/76/608015276.db2.gz JOEKOSPHSCJAMV-CXUHLZMHSA-N -1 3 384.443 3.850 20 30 GHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CC2 ZINC000824347664 608015277 /nfs/dbraw/zinc/01/52/77/608015277.db2.gz JOEKOSPHSCJAMV-CXUHLZMHSA-N -1 3 384.443 3.850 20 30 GHEDHM CC(=NNc1ccc(Br)c(C)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958642 608094627 /nfs/dbraw/zinc/09/46/27/608094627.db2.gz UMTVVROPFROTQI-UHFFFAOYSA-N -1 3 377.271 3.835 20 30 GHEDHM CS[C@H](C)CCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826224379 608331826 /nfs/dbraw/zinc/33/18/26/608331826.db2.gz BRPVHELBQSUZIV-RISCZKNCSA-N -1 3 398.517 3.698 20 30 GHEDHM CS[C@H](C)CCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826224379 608331828 /nfs/dbraw/zinc/33/18/28/608331828.db2.gz BRPVHELBQSUZIV-RISCZKNCSA-N -1 3 398.517 3.698 20 30 GHEDHM COc1ccccc1CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C(C)C ZINC000826219521 608535997 /nfs/dbraw/zinc/53/59/97/608535997.db2.gz GAYBWEGKLUCBEJ-UHFFFAOYSA-N -1 3 385.859 3.590 20 30 GHEDHM COc1ccccc1CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C(C)C ZINC000826219521 608535999 /nfs/dbraw/zinc/53/59/99/608535999.db2.gz GAYBWEGKLUCBEJ-UHFFFAOYSA-N -1 3 385.859 3.590 20 30 GHEDHM COc1ccc2ccccc2c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826213746 608537728 /nfs/dbraw/zinc/53/77/28/608537728.db2.gz KVFGLMVXFQGJHL-UHFFFAOYSA-N -1 3 379.811 3.523 20 30 GHEDHM COc1ccc2ccccc2c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826213746 608537729 /nfs/dbraw/zinc/53/77/29/608537729.db2.gz KVFGLMVXFQGJHL-UHFFFAOYSA-N -1 3 379.811 3.523 20 30 GHEDHM N#Cc1ccc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000826385186 608869692 /nfs/dbraw/zinc/86/96/92/608869692.db2.gz ARLNDEDDCIMYRG-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1ccc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000826385186 608869696 /nfs/dbraw/zinc/86/96/96/608869696.db2.gz ARLNDEDDCIMYRG-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1)OCC ZINC000823874363 609165104 /nfs/dbraw/zinc/16/51/04/609165104.db2.gz VOFRHTQOBPVVDU-KRWDZBQOSA-N -1 3 394.479 3.584 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1)OCC ZINC000823874363 609165105 /nfs/dbraw/zinc/16/51/05/609165105.db2.gz VOFRHTQOBPVVDU-KRWDZBQOSA-N -1 3 394.479 3.584 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000826178842 609270115 /nfs/dbraw/zinc/27/01/15/609270115.db2.gz OOSXALGFBKWBEP-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC(F)F ZINC000826178842 609270117 /nfs/dbraw/zinc/27/01/17/609270117.db2.gz OOSXALGFBKWBEP-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1c(Cl)cccc1NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826236722 609304086 /nfs/dbraw/zinc/30/40/86/609304086.db2.gz AJALUFWCCFZWDV-UHFFFAOYSA-N -1 3 392.854 3.675 20 30 GHEDHM Cc1c(Cl)cccc1NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826236722 609304087 /nfs/dbraw/zinc/30/40/87/609304087.db2.gz AJALUFWCCFZWDV-UHFFFAOYSA-N -1 3 392.854 3.675 20 30 GHEDHM Clc1cc(NN=Cc2ccc(Oc3cnccn3)cc2)ccc1-c1nnn[n-]1 ZINC000826351692 609471743 /nfs/dbraw/zinc/47/17/43/609471743.db2.gz WHVIJYVMFTUCNM-UHFFFAOYSA-N -1 3 392.810 3.548 20 30 GHEDHM Clc1cc(NN=Cc2ccc(Oc3cnccn3)cc2)ccc1-c1nn[n-]n1 ZINC000826351692 609471744 /nfs/dbraw/zinc/47/17/44/609471744.db2.gz WHVIJYVMFTUCNM-UHFFFAOYSA-N -1 3 392.810 3.548 20 30 GHEDHM C#CCCCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823841956 609527236 /nfs/dbraw/zinc/52/72/36/609527236.db2.gz WGONPYPVGPVPBD-UHFFFAOYSA-N -1 3 376.420 3.576 20 30 GHEDHM C#CCCCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823841956 609527237 /nfs/dbraw/zinc/52/72/37/609527237.db2.gz WGONPYPVGPVPBD-UHFFFAOYSA-N -1 3 376.420 3.576 20 30 GHEDHM C=CC[C@@H]1CCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000890553216 834896932 /nfs/dbraw/zinc/89/69/32/834896932.db2.gz XNEKCGZZBWCPRV-SNVBAGLBSA-N -1 3 381.657 3.735 20 30 GHEDHM CCOc1cccc([C@H](CC)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000175302976 834957294 /nfs/dbraw/zinc/95/72/94/834957294.db2.gz ATKZZNWLDMPTKI-FQEVSTJZSA-N -1 3 382.460 3.889 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000177180935 837882283 /nfs/dbraw/zinc/88/22/83/837882283.db2.gz LHXHVONKTWSVJO-UHFFFAOYSA-N -1 3 389.440 3.606 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)s1 ZINC000610338923 838551875 /nfs/dbraw/zinc/55/18/75/838551875.db2.gz FHQXRSDNHPBLTL-SNVBAGLBSA-N -1 3 385.308 3.730 20 30 GHEDHM N#CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000182481794 838727787 /nfs/dbraw/zinc/72/77/87/838727787.db2.gz DJTUZIWRBWMBCQ-OAQYLSRUSA-N -1 3 391.471 3.548 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cscc3C#N)cc2)cc1 ZINC000432058167 840571818 /nfs/dbraw/zinc/57/18/18/840571818.db2.gz UZQNZJOXDAPRDP-UHFFFAOYSA-N -1 3 397.481 3.981 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)n3C)n2)cc1 ZINC000136615087 841883899 /nfs/dbraw/zinc/88/38/99/841883899.db2.gz TWXMUEFBYVLMII-INIZCTEOSA-N -1 3 392.484 3.981 20 30 GHEDHM CC(C)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000603836046 861252296 /nfs/dbraw/zinc/25/22/96/861252296.db2.gz DTOBCJCYWYCSBF-HXUWFJFHSA-N -1 3 381.451 3.677 20 30 GHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C#N)c(Cl)c2)[nH][n-]1 ZINC000548318207 842567995 /nfs/dbraw/zinc/56/79/95/842567995.db2.gz MIKDJHQWUUFDMH-UHFFFAOYSA-N -1 3 387.226 3.938 20 30 GHEDHM Cc1cc(Br)cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000187545026 842643378 /nfs/dbraw/zinc/64/33/78/842643378.db2.gz LYATYDARULGIMM-UHFFFAOYSA-N -1 3 388.265 3.506 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCCC1 ZINC000408223037 843250527 /nfs/dbraw/zinc/25/05/27/843250527.db2.gz CIGFPBGSUCLUDT-UHFFFAOYSA-N -1 3 377.691 3.607 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000610661047 843432646 /nfs/dbraw/zinc/43/26/46/843432646.db2.gz XVARXIVEZDDWJM-INIZCTEOSA-N -1 3 386.249 3.634 20 30 GHEDHM CC(C)(CC#N)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000458043866 843448559 /nfs/dbraw/zinc/44/85/59/843448559.db2.gz QPPNRQSGYUWUIU-UHFFFAOYSA-N -1 3 396.672 3.614 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCc1ccccc1)C(F)F ZINC000600314723 861561498 /nfs/dbraw/zinc/56/14/98/861561498.db2.gz OUMOGTDJNKASRQ-GOSISDBHSA-N -1 3 387.430 3.591 20 30 GHEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509780982 845391066 /nfs/dbraw/zinc/39/10/66/845391066.db2.gz GEFWTGOPDYUUGC-QMTHXVAHSA-N -1 3 383.819 3.618 20 30 GHEDHM N#Cc1cccnc1Oc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000538857311 845661607 /nfs/dbraw/zinc/66/16/07/845661607.db2.gz JAKFAXMVSSCKQM-UHFFFAOYSA-N -1 3 387.321 3.872 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000280037601 846271714 /nfs/dbraw/zinc/27/17/14/846271714.db2.gz RVAWKKVLSFEJSQ-WMZOPIPTSA-N -1 3 381.451 3.800 20 30 GHEDHM C=CCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Br)CCCC1 ZINC000421681232 846484457 /nfs/dbraw/zinc/48/44/57/846484457.db2.gz WEJBSLZFAWTFDB-UHFFFAOYSA-N -1 3 380.208 3.705 20 30 GHEDHM N#Cc1ccc(F)cc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000158515740 847595933 /nfs/dbraw/zinc/59/59/33/847595933.db2.gz YFPFIVFJQUNMRK-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM Cc1ccc(-c2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n[n-]2)o1 ZINC000479472449 847646275 /nfs/dbraw/zinc/64/62/75/847646275.db2.gz CBNSWQALCRCTEU-UHFFFAOYSA-N -1 3 386.371 3.684 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)cc1 ZINC000158758104 848081863 /nfs/dbraw/zinc/08/18/63/848081863.db2.gz LLNQJGIGEXTYRW-CRAIPNDOSA-N -1 3 381.480 3.799 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C(F)(F)F)cs1 ZINC000435424100 850505730 /nfs/dbraw/zinc/50/57/30/850505730.db2.gz UDIZHNSQLJFMKI-MRVPVSSYSA-N -1 3 381.426 3.525 20 30 GHEDHM N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000434624456 851378312 /nfs/dbraw/zinc/37/83/12/851378312.db2.gz GWGSPPKCXJYCAL-QZTJIDSGSA-N -1 3 391.452 3.863 20 30 GHEDHM COc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1[O-] ZINC000436675313 852181745 /nfs/dbraw/zinc/18/17/45/852181745.db2.gz VWEPULCUIROYNC-UHFFFAOYSA-N -1 3 398.469 3.669 20 30 GHEDHM C=CCOc1ccccc1C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000522672565 862364015 /nfs/dbraw/zinc/36/40/15/862364015.db2.gz SHCXDWPXBNCPJG-UHFFFAOYSA-N -1 3 383.835 3.978 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC000436974386 852557534 /nfs/dbraw/zinc/55/75/34/852557534.db2.gz YMHLZQBDXVIMFQ-UHFFFAOYSA-N -1 3 393.487 3.795 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(-c2ccncc2)c1C(F)F ZINC000489914756 852665941 /nfs/dbraw/zinc/66/59/41/852665941.db2.gz UAINCHOQWWBJFX-ZDUSSCGKSA-N -1 3 392.369 3.582 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1F ZINC000427200489 852851391 /nfs/dbraw/zinc/85/13/91/852851391.db2.gz PIUSVSJWFJHLAC-UHFFFAOYSA-N -1 3 382.376 3.634 20 30 GHEDHM N#CCCn1cc(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c2ccccc21 ZINC000913298223 853208685 /nfs/dbraw/zinc/20/86/85/853208685.db2.gz GWCLRJTXCVJZPK-UHFFFAOYSA-N -1 3 388.383 3.578 20 30 GHEDHM N#CCCn1cc(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c2ccccc21 ZINC000913298223 853208697 /nfs/dbraw/zinc/20/86/97/853208697.db2.gz GWCLRJTXCVJZPK-UHFFFAOYSA-N -1 3 388.383 3.578 20 30 GHEDHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000044686906 853756045 /nfs/dbraw/zinc/75/60/45/853756045.db2.gz HLFSSTTWTWESIY-GOSISDBHSA-N -1 3 381.476 3.527 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1csc(-c2ccccc2)n1 ZINC000588079954 854098532 /nfs/dbraw/zinc/09/85/32/854098532.db2.gz VOAORMUDEJQCJN-UHFFFAOYSA-N -1 3 378.457 3.971 20 30 GHEDHM N#CCOc1cc(F)ccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000156751173 854179645 /nfs/dbraw/zinc/17/96/45/854179645.db2.gz AUNBXUGVDYXYSZ-UHFFFAOYSA-N -1 3 394.200 3.518 20 30 GHEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC2(C#N)CC2)cc1 ZINC000590979966 855725265 /nfs/dbraw/zinc/72/52/65/855725265.db2.gz BZNWDNFUMLCURE-UHFFFAOYSA-N -1 3 383.473 3.737 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000173581538 857003432 /nfs/dbraw/zinc/00/34/32/857003432.db2.gz DWQRBCKUOGQNAX-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000151564258 858199637 /nfs/dbraw/zinc/19/96/37/858199637.db2.gz OEMXEKUIYUAKOY-GFCCVEGCSA-N -1 3 387.848 3.906 20 30 GHEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC000443096557 858374984 /nfs/dbraw/zinc/37/49/84/858374984.db2.gz VQSCERMOTFMNEZ-KRWDZBQOSA-N -1 3 393.852 3.795 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1-c1ccnn1C ZINC000483236460 859231947 /nfs/dbraw/zinc/23/19/47/859231947.db2.gz MWXLXIKQMAYMFJ-INIZCTEOSA-N -1 3 383.411 3.529 20 30 GHEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000727058071 859910938 /nfs/dbraw/zinc/91/09/38/859910938.db2.gz FFNOLQXYMVHTNO-UHFFFAOYSA-N -1 3 396.428 3.842 20 30 GHEDHM O=[N+]([O-])c1ccccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058796 859911229 /nfs/dbraw/zinc/91/12/29/859911229.db2.gz WIBDOGIZDSGIPV-UHFFFAOYSA-N -1 3 396.428 3.842 20 30 GHEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000153966630 859942569 /nfs/dbraw/zinc/94/25/69/859942569.db2.gz PUEUUEYZSMZRGW-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM Cc1cn(C2CCOCC2)nc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178554 860207569 /nfs/dbraw/zinc/20/75/69/860207569.db2.gz NSPNINBLYZYLOG-UHFFFAOYSA-N -1 3 384.263 3.881 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000094101525 860413249 /nfs/dbraw/zinc/41/32/49/860413249.db2.gz LXTNVQJWMGPLHW-KRWDZBQOSA-N -1 3 391.515 3.767 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1[O-] ZINC000728174047 860449724 /nfs/dbraw/zinc/44/97/24/860449724.db2.gz FSIACUQLWJRPLV-UHFFFAOYSA-N -1 3 391.402 3.928 20 30 GHEDHM C=CCC[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281896779 863455589 /nfs/dbraw/zinc/45/55/89/863455589.db2.gz NZYRHLFKYBSAIW-KRWDZBQOSA-N -1 3 397.441 3.794 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4c([nH]c3=O)CC(C)(C)CC4=O)nc21 ZINC000522830648 863497925 /nfs/dbraw/zinc/49/79/25/863497925.db2.gz LSJWMOVSHZFWIP-AWEZNQCLSA-N -1 3 388.427 3.617 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172349233 863498824 /nfs/dbraw/zinc/49/88/24/863498824.db2.gz KXHDFFDERAIOTG-CQSZACIVSA-N -1 3 378.171 3.863 20 30 GHEDHM CCCn1cc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000734979517 864559528 /nfs/dbraw/zinc/55/95/28/864559528.db2.gz IQGQJBGAUIEKLS-UHFFFAOYSA-N -1 3 383.477 3.540 20 30 GHEDHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)CCCC2)n1 ZINC000184666883 864825006 /nfs/dbraw/zinc/82/50/06/864825006.db2.gz RYZSSOQOPHALSZ-UHFFFAOYSA-N -1 3 381.910 3.724 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccc4c(c3)OCO4)CCCCC2)c1[O-] ZINC000920177591 881886507 /nfs/dbraw/zinc/88/65/07/881886507.db2.gz IDPIJONJXULBQO-KSEXSDGBSA-N -1 3 382.460 3.638 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3cc4c(cc3[O-])OCO4)c2)s1 ZINC000740128613 865858143 /nfs/dbraw/zinc/85/81/43/865858143.db2.gz RDFTVVFKCJPBOO-UHFFFAOYSA-N -1 3 378.409 3.651 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2sc(-c3ccc(C)o3)nc2C)c1 ZINC000127187843 866041736 /nfs/dbraw/zinc/04/17/36/866041736.db2.gz VGGHGXAETAHUHW-OAHLLOKOSA-N -1 3 395.440 3.990 20 30 GHEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000747107172 881995896 /nfs/dbraw/zinc/99/58/96/881995896.db2.gz AEFHAZIIFXPXCS-NSHDSACASA-N -1 3 378.837 3.688 20 30 GHEDHM C#Cc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000183345048 866637855 /nfs/dbraw/zinc/63/78/55/866637855.db2.gz ZBSAVLCSFRJYLL-UHFFFAOYSA-N -1 3 391.452 3.572 20 30 GHEDHM COc1cc(CN=Nc2nc(-c3ccccn3)nc3c2CCC3)cc(Cl)c1[O-] ZINC000741809063 866805979 /nfs/dbraw/zinc/80/59/79/866805979.db2.gz FEYZBLLYXHXGJS-UHFFFAOYSA-N -1 3 395.850 3.841 20 30 GHEDHM N#Cc1ccc(-c2nnc(CO[N-]C(=O)Cc3cccc4ccccc43)o2)cc1 ZINC000742358580 867232430 /nfs/dbraw/zinc/23/24/30/867232430.db2.gz PBZWCJNFIWJSGX-UHFFFAOYSA-N -1 3 384.395 3.552 20 30 GHEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000509713386 867330644 /nfs/dbraw/zinc/33/06/44/867330644.db2.gz PRGTWXHENSWIPQ-UHFFFAOYSA-N -1 3 380.819 3.967 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nc2cc(Cl)ccc2c1=O ZINC000155848488 868143276 /nfs/dbraw/zinc/14/32/76/868143276.db2.gz VTVOZTBHMUMWFC-NSHDSACASA-N -1 3 388.880 3.893 20 30 GHEDHM COc1ccc([C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])N2CCCCC2)cc1 ZINC000005290647 882159218 /nfs/dbraw/zinc/15/92/18/882159218.db2.gz FXKXGBYNKZFVAL-YRXLECQKSA-N -1 3 383.448 3.955 20 30 GHEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181291936 870680517 /nfs/dbraw/zinc/68/05/17/870680517.db2.gz JAYCUENSXQTMOX-SSDOTTSWSA-N -1 3 393.152 3.693 20 30 GHEDHM O=S(=O)([N-]c1ccccc1F)c1cccc(N=Cc2cccc(O)c2O)c1 ZINC000920945193 882465341 /nfs/dbraw/zinc/46/53/41/882465341.db2.gz SHQRKIJLPRCCOW-UHFFFAOYSA-N -1 3 386.404 3.788 20 30 GHEDHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Cl)cc3C#N)co2)cc1 ZINC000443318627 871068631 /nfs/dbraw/zinc/06/86/31/871068631.db2.gz IOPNGSFSIASUHN-UHFFFAOYSA-N -1 3 387.848 3.654 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2Cl)c1 ZINC001193681370 871234494 /nfs/dbraw/zinc/23/44/94/871234494.db2.gz VCVIGOXUKDITAB-UHFFFAOYSA-N -1 3 375.208 3.814 20 30 GHEDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC000557805261 871615082 /nfs/dbraw/zinc/61/50/82/871615082.db2.gz YIFVUVSZOGAFQQ-CMPLNLGQSA-N -1 3 395.278 3.516 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(OC)c(Cl)n1 ZINC000766842469 871912506 /nfs/dbraw/zinc/91/25/06/871912506.db2.gz XTCOYIWPFXFIHT-AWEZNQCLSA-N -1 3 385.851 3.830 20 30 GHEDHM C[C@H](C#N)c1ccc(NC(=O)c2cc([O-])cc(I)c2)cc1 ZINC001196417502 873101078 /nfs/dbraw/zinc/10/10/78/873101078.db2.gz KOYRSTQXZQQRGA-SNVBAGLBSA-N -1 3 392.196 3.876 20 30 GHEDHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC001196549827 873203856 /nfs/dbraw/zinc/20/38/56/873203856.db2.gz ITSHZKORKYZFNW-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3csc(Br)n3)no2)c1 ZINC001196759245 873331202 /nfs/dbraw/zinc/33/12/02/873331202.db2.gz HJIMHVPTFIYVOV-UHFFFAOYSA-N -1 3 375.207 3.685 20 30 GHEDHM N#Cc1ccnnc1[N-]C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC001197017951 873543904 /nfs/dbraw/zinc/54/39/04/873543904.db2.gz SJEMMQQJIYMDMB-UHFFFAOYSA-N -1 3 375.335 3.743 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000102857897 873724487 /nfs/dbraw/zinc/72/44/87/873724487.db2.gz GURROZAAJXYYST-UHFFFAOYSA-N -1 3 391.496 3.596 20 30 GHEDHM CCc1cc2c(CN3CCO[C@@H](c4ccc(C#N)cc4)C3)cc(=O)oc2cc1[O-] ZINC001198219518 874279915 /nfs/dbraw/zinc/27/99/15/874279915.db2.gz PFKGJDOWRCJKID-JOCHJYFZSA-N -1 3 390.439 3.506 20 30 GHEDHM C=CCNc1ncc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000770119306 874474091 /nfs/dbraw/zinc/47/40/91/874474091.db2.gz PZGMRPCDOUOVSW-SECBINFHSA-N -1 3 390.490 3.986 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccccc1C(F)(F)F ZINC000105776555 875457849 /nfs/dbraw/zinc/45/78/49/875457849.db2.gz HSNGAGZVUAPKHG-UHFFFAOYSA-N -1 3 392.377 3.601 20 30 GHEDHM COc1c(Br)cc(Br)c(Nc2cncc([O-])c2)c1C#N ZINC001201642496 875810705 /nfs/dbraw/zinc/81/07/05/875810705.db2.gz VQTDQVBDEFOWAM-UHFFFAOYSA-N -1 3 399.042 3.936 20 30 GHEDHM CC(C)(C#N)CCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000776375947 876345082 /nfs/dbraw/zinc/34/50/82/876345082.db2.gz UXXDKKSDRDTNIV-IBGZPJMESA-N -1 3 380.444 3.736 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C3CCCCC3)n2)c1 ZINC000776516177 877409318 /nfs/dbraw/zinc/40/93/18/877409318.db2.gz KJIMQVNJZRIYEN-GOSISDBHSA-N -1 3 380.448 3.667 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000616882733 879154533 /nfs/dbraw/zinc/15/45/33/879154533.db2.gz MGYVRTKRLIXLNP-KRWDZBQOSA-N -1 3 398.426 3.697 20 30 GHEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000286109657 912572239 /nfs/dbraw/zinc/57/22/39/912572239.db2.gz WAQMJTQFCBAJRO-SSDOTTSWSA-N -1 3 392.202 3.684 20 30 GHEDHM CCOC(=O)C[C@@H]([N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000855517745 880555363 /nfs/dbraw/zinc/55/53/63/880555363.db2.gz XAJHSTFTDRXQHF-PWSUYJOCSA-N -1 3 389.267 3.716 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)nc1Br ZINC000792104143 880899334 /nfs/dbraw/zinc/89/93/34/880899334.db2.gz WWYQQFFVNCJZAX-ZDUSSCGKSA-N -1 3 382.217 3.891 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1nc(-c2cccs2)no1 ZINC000914623951 884371924 /nfs/dbraw/zinc/37/19/24/884371924.db2.gz UCAIKHSUAPQWSG-LBPRGKRZSA-N -1 3 398.444 3.624 20 30 GHEDHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(C#N)ccc3Cl)co2)cc1 ZINC000476323144 884397315 /nfs/dbraw/zinc/39/73/15/884397315.db2.gz TYYQHTIKRNSWLA-UHFFFAOYSA-N -1 3 387.848 3.654 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000130707487 885030537 /nfs/dbraw/zinc/03/05/37/885030537.db2.gz PALYMRCNDSYDII-LLVKDONJSA-N -1 3 380.516 3.798 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1nc(-c2ccccc2)no1 ZINC000762292913 885966178 /nfs/dbraw/zinc/96/61/78/885966178.db2.gz HPXCRUDLEITRKC-CQSZACIVSA-N -1 3 392.415 3.563 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(COCc3ccccc3)cc2)c1[O-] ZINC000915271275 886191883 /nfs/dbraw/zinc/19/18/83/886191883.db2.gz QXWLJQHZNUBHRO-CFRMEGHHSA-N -1 3 376.456 3.924 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C(C)(C)C)n2)cc1Cl ZINC000193479463 886341184 /nfs/dbraw/zinc/34/11/84/886341184.db2.gz RWOKEUIIQGEQOJ-ZDUSSCGKSA-N -1 3 388.855 3.570 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Br ZINC000431169606 886631904 /nfs/dbraw/zinc/63/19/04/886631904.db2.gz MNEXXEXSOOPCAZ-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808979141 886959497 /nfs/dbraw/zinc/95/94/97/886959497.db2.gz FZYPUABLXDVANX-LLVKDONJSA-N -1 3 385.704 3.854 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)c1 ZINC000794587206 887554880 /nfs/dbraw/zinc/55/48/80/887554880.db2.gz HVDJJQLPAIZGMM-UHFFFAOYSA-N -1 3 379.441 3.527 20 30 GHEDHM C[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC001184341176 913158880 /nfs/dbraw/zinc/15/88/80/913158880.db2.gz VKEYSNIGDWUCAT-OAHLLOKOSA-N -1 3 383.469 3.765 20 30 GHEDHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000173545417 887766506 /nfs/dbraw/zinc/76/65/06/887766506.db2.gz HBSPMXXWDUWMHL-BFUOFWGJSA-N -1 3 381.476 3.697 20 30 GHEDHM CC1(C)CNC(=O)c2c(C(=O)[N-]c3ccccc3SCCC#N)coc2C1 ZINC000865603821 888471589 /nfs/dbraw/zinc/47/15/89/888471589.db2.gz NAEIKRGBHNBFLJ-UHFFFAOYSA-N -1 3 383.473 3.850 20 30 GHEDHM CC(=NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc2ccccc2c1[O-] ZINC000916284264 888874129 /nfs/dbraw/zinc/87/41/29/888874129.db2.gz UEGHNZGNKSMINS-UHFFFAOYSA-N -1 3 393.468 3.662 20 30 GHEDHM CN1c2ccccc2C(=N[N-]c2ccc(-c3cccc(C(F)(F)F)c3)nn2)C1=O ZINC000794980796 889251753 /nfs/dbraw/zinc/25/17/53/889251753.db2.gz FATYWSCGADCWHV-UHFFFAOYSA-N -1 3 397.360 3.955 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000811186159 889271655 /nfs/dbraw/zinc/27/16/55/889271655.db2.gz DYXLACZJNHGWLX-INIZCTEOSA-N -1 3 391.210 3.533 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000811187967 889273368 /nfs/dbraw/zinc/27/33/68/889273368.db2.gz RFPWQQXGPAOHBU-LSDHHAIUSA-N -1 3 388.423 3.840 20 30 GHEDHM C=CC(C)(C)CNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868670750 889549067 /nfs/dbraw/zinc/54/90/67/889549067.db2.gz RNJHXQQIDCBXHZ-CYBMUJFWSA-N -1 3 383.414 3.581 20 30 GHEDHM COc1cc(C=NN[C@@H](C)COc2ccccc2)cc(Br)c1[O-] ZINC000811666696 889854575 /nfs/dbraw/zinc/85/45/75/889854575.db2.gz HUIVGGNDPATLRH-LBPRGKRZSA-N -1 3 379.254 3.554 20 30 GHEDHM Fc1ccc(C=CC=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000747747329 890016116 /nfs/dbraw/zinc/01/61/16/890016116.db2.gz RCUSUHKKCQLBNU-GNQDQENJSA-N -1 3 382.420 3.766 20 30 GHEDHM COC(=O)c1coc(C=CC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)c1 ZINC000870454609 890361122 /nfs/dbraw/zinc/36/11/22/890361122.db2.gz NCGPCDSVCRRAJQ-XHPSBEMXSA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1coc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)c1 ZINC000870454609 890361128 /nfs/dbraw/zinc/36/11/28/890361128.db2.gz NCGPCDSVCRRAJQ-XHPSBEMXSA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000130489538 890848785 /nfs/dbraw/zinc/84/87/85/890848785.db2.gz XBLAYXDGGYMTDR-HNNXBMFYSA-N -1 3 391.210 3.741 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(OCc3ccccn3)c2)c1[O-] ZINC000917558926 892166638 /nfs/dbraw/zinc/16/66/38/892166638.db2.gz CVSNDBPTOUVLIJ-FCUAXUHVSA-N -1 3 377.444 3.742 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1[O-] ZINC000917557181 892205529 /nfs/dbraw/zinc/20/55/29/892205529.db2.gz AAGCAHFMXLJNRR-UHFFFAOYSA-N -1 3 389.455 3.544 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000815800368 894218401 /nfs/dbraw/zinc/21/84/01/894218401.db2.gz UEKCTAZCQSBUMR-VIFPVBQESA-N -1 3 386.196 3.888 20 30 GHEDHM C[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000820220250 897247104 /nfs/dbraw/zinc/24/71/04/897247104.db2.gz PQQBRYVYFXVOJU-LBPRGKRZSA-N -1 3 385.269 3.508 20 30 GHEDHM C[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000820220250 897247121 /nfs/dbraw/zinc/24/71/21/897247121.db2.gz PQQBRYVYFXVOJU-LBPRGKRZSA-N -1 3 385.269 3.508 20 30 GHEDHM C=CCCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000800152006 898670775 /nfs/dbraw/zinc/67/07/75/898670775.db2.gz QVWYLZQDMXWTAY-UHFFFAOYSA-N -1 3 388.464 3.637 20 30 GHEDHM CC(C)(C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000824058715 899365306 /nfs/dbraw/zinc/36/53/06/899365306.db2.gz ASTXJODVBNWFSU-UHFFFAOYSA-N -1 3 383.795 3.771 20 30 GHEDHM CC(C)(C)[C@H](C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332694513 899856068 /nfs/dbraw/zinc/85/60/68/899856068.db2.gz RVSTXCBZSRWKJD-LBPRGKRZSA-N -1 3 396.672 3.612 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000825339229 900102857 /nfs/dbraw/zinc/10/28/57/900102857.db2.gz SIGXMWCRYSTLIO-XBXARRHUSA-N -1 3 382.395 3.699 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000825339229 900102871 /nfs/dbraw/zinc/10/28/71/900102871.db2.gz SIGXMWCRYSTLIO-XBXARRHUSA-N -1 3 382.395 3.699 20 30 GHEDHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000121864887 901686991 /nfs/dbraw/zinc/68/69/91/901686991.db2.gz NXMJZUCMWWOCSU-MAUKXSAKSA-N -1 3 377.488 3.509 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1c[nH]c2c1cccc2Cl ZINC000600803894 902939351 /nfs/dbraw/zinc/93/93/51/902939351.db2.gz ILYIQKXNVFXJEE-UHFFFAOYSA-N -1 3 396.878 3.702 20 30 GHEDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3cc(C(C)C)on3)c(C#N)c21 ZINC001147473156 903794573 /nfs/dbraw/zinc/79/45/73/903794573.db2.gz JQOQALPTMRGVRK-NSHDSACASA-N -1 3 387.461 3.966 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2cn(C(C)C)nn2)cc(Br)c1[O-] ZINC000901523935 921201549 /nfs/dbraw/zinc/20/15/49/921201549.db2.gz JCWVKZUQFSOZNY-AATRIKPKSA-N -1 3 380.242 3.622 20 30 GHEDHM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000901605628 921393264 /nfs/dbraw/zinc/39/32/64/921393264.db2.gz XHZMCSVBJWAAPE-LJQANCHMSA-N -1 3 386.473 3.501 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cc2ccccc2[nH]c1=O ZINC000193454323 908398659 /nfs/dbraw/zinc/39/86/59/908398659.db2.gz JYVFYJVYBPHNTI-SFHVURJKSA-N -1 3 381.391 3.642 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc2ccccc2s1 ZINC000779891993 909063833 /nfs/dbraw/zinc/06/38/33/909063833.db2.gz BFUDTXSDDPMGDQ-SNVBAGLBSA-N -1 3 377.878 3.861 20 30 GHEDHM C=C(C)CN(CC)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000270670792 910653579 /nfs/dbraw/zinc/65/35/79/910653579.db2.gz WFFBHTQASLKMFV-UHFFFAOYSA-N -1 3 398.459 3.700 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCCCCCCCCO)c(C)c1[O-] ZINC001181416549 910747070 /nfs/dbraw/zinc/74/70/70/910747070.db2.gz YGXUAPGFJGAPOP-UHFFFAOYSA-N -1 3 390.480 3.801 20 30 GHEDHM CSCc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1 ZINC000273901136 911094709 /nfs/dbraw/zinc/09/47/09/911094709.db2.gz JDHMNHZJQCXRGS-UHFFFAOYSA-N -1 3 380.473 3.974 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291361222 915131135 /nfs/dbraw/zinc/13/11/35/915131135.db2.gz AVBMIPBNQVTTMC-CVEARBPZSA-N -1 3 383.414 3.788 20 30 GHEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000291500035 915216263 /nfs/dbraw/zinc/21/62/63/915216263.db2.gz NRBSLMRPZUZDKB-UHFFFAOYSA-N -1 3 382.207 3.977 20 30 GHEDHM Cc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)c(OCCCC(C)C)c1 ZINC001188070506 915734604 /nfs/dbraw/zinc/73/46/04/915734604.db2.gz ZFQBHOUNSRGNHL-UHFFFAOYSA-N -1 3 387.505 3.555 20 30 GHEDHM COc1cc(/C=C2\COc3c(OC)cccc3C2=O)cc(Br)c1[O-] ZINC000098125399 916241063 /nfs/dbraw/zinc/24/10/63/916241063.db2.gz XKKJFEMQSWEEPJ-IZZDOVSWSA-N -1 3 391.217 3.831 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(-c3cccs3)on2)c(C)c1[O-] ZINC001189191729 916450450 /nfs/dbraw/zinc/45/04/50/916450450.db2.gz DJDZYBXPMBTDJU-UHFFFAOYSA-N -1 3 397.412 3.718 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1F ZINC001189531919 916727319 /nfs/dbraw/zinc/72/73/19/916727319.db2.gz QTMVKBIRUIYDHO-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)c(Cl)c2)c1 ZINC001190666616 917456181 /nfs/dbraw/zinc/45/61/81/917456181.db2.gz ZZJFRWCWGMRWDD-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM CCOc1ccc(C(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)c(F)c1F ZINC001190692104 917519142 /nfs/dbraw/zinc/51/91/42/917519142.db2.gz UMSMSKGEJCFRSS-UHFFFAOYSA-N -1 3 380.354 3.944 20 30 GHEDHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cnc21 ZINC000119758961 919653581 /nfs/dbraw/zinc/65/35/81/919653581.db2.gz HOTKYUAKSDKAGU-OAHLLOKOSA-N -1 3 387.365 3.991 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000298527869 920633532 /nfs/dbraw/zinc/63/35/32/920633532.db2.gz YCXUWBRQDQEJNK-GFCCVEGCSA-N -1 3 389.402 3.687 20 30 GHEDHM COc1cc(CC(=O)N([O-])Cc2cccc3ccccc32)cc(OC)c1OC ZINC000901367462 921042905 /nfs/dbraw/zinc/04/29/05/921042905.db2.gz HBYPJWXKPIEICG-UHFFFAOYSA-N -1 3 381.428 3.826 20 30 GHEDHM O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N([O-])Cc1cccc2ccccc21 ZINC000901370079 921046972 /nfs/dbraw/zinc/04/69/72/921046972.db2.gz QFRGUWBKDQEOKL-UHFFFAOYSA-N -1 3 388.383 3.965 20 30 GHEDHM CO[C@@H]1CCc2c(C#N)c([N-]C(=O)c3snnc3C(C)(C)C)sc2C1 ZINC000410968157 925964278 /nfs/dbraw/zinc/96/42/78/925964278.db2.gz LWMSZJNVJRXMJF-SECBINFHSA-N -1 3 376.507 3.525 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccc(F)cc3)n2C)n1 ZINC000750405081 927605396 /nfs/dbraw/zinc/60/53/96/927605396.db2.gz YWGNVTORPQKWRX-CQSZACIVSA-N -1 3 397.431 3.954 20 30 GHEDHM COc1ccc2nc(NN=Cc3cc(OC)c([O-])cc3[N+](=O)[O-])c(C)cc2c1 ZINC000777912617 934058409 /nfs/dbraw/zinc/05/84/09/934058409.db2.gz WGWJCPKJUVZVFP-UHFFFAOYSA-N -1 3 382.376 3.620 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(-c3ccccc3Cl)on2)cc1 ZINC001122707157 934956807 /nfs/dbraw/zinc/95/68/07/934956807.db2.gz HVGWVPIMMYSNCC-HNNXBMFYSA-N -1 3 395.802 3.965 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCO2)c1[O-] ZINC001122927076 935032856 /nfs/dbraw/zinc/03/28/56/935032856.db2.gz OMAYIXNKNOMFOB-AEFFLSMTSA-N -1 3 395.507 3.687 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001123233579 935125346 /nfs/dbraw/zinc/12/53/46/935125346.db2.gz LMQRSGOOZKADRR-LBPRGKRZSA-N -1 3 376.819 3.687 20 30 GHEDHM C#Cc1ccc(CNc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)cc1 ZINC001573291187 946914978 /nfs/dbraw/zinc/91/49/78/946914978.db2.gz YISVCDNMXBFPHT-UHFFFAOYSA-N -1 3 379.427 3.569 20 30 GHEDHM C#Cc1ccc(CNc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)cc1 ZINC001573291187 946914989 /nfs/dbraw/zinc/91/49/89/946914989.db2.gz YISVCDNMXBFPHT-UHFFFAOYSA-N -1 3 379.427 3.569 20 30 GHEDHM C=CCCCn1c([C@@H](C)CC)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573334964 947467214 /nfs/dbraw/zinc/46/72/14/947467214.db2.gz KGJYPYRLHPGHHT-HNNXBMFYSA-N -1 3 380.500 3.574 20 30 GHEDHM C=CCCCn1c([C@@H](C)CC)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573334964 947467217 /nfs/dbraw/zinc/46/72/17/947467217.db2.gz KGJYPYRLHPGHHT-HNNXBMFYSA-N -1 3 380.500 3.574 20 30 GHEDHM C[C@H](CCc1ccc(Br)cc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001574695135 949104931 /nfs/dbraw/zinc/10/49/31/949104931.db2.gz ZUNULZJTHNFXEO-GFCCVEGCSA-N -1 3 397.280 3.934 20 30 GHEDHM C[C@H](CCc1ccc(Br)cc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001574695135 949104946 /nfs/dbraw/zinc/10/49/46/949104946.db2.gz ZUNULZJTHNFXEO-GFCCVEGCSA-N -1 3 397.280 3.934 20 30 GHEDHM CC(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2-c2nnn[n-]2)C1 ZINC001574099850 949186561 /nfs/dbraw/zinc/18/65/61/949186561.db2.gz OUWPDMKFEDLWTH-CQSZACIVSA-N -1 3 392.488 3.813 20 30 GHEDHM CC(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2-c2nn[n-]n2)C1 ZINC001574099850 949186575 /nfs/dbraw/zinc/18/65/75/949186575.db2.gz OUWPDMKFEDLWTH-CQSZACIVSA-N -1 3 392.488 3.813 20 30 GHEDHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC001603609797 973877760 /nfs/dbraw/zinc/87/77/60/973877760.db2.gz NZQONQCEXIAVMW-AVRDEDQJSA-N -1 3 385.508 3.515 20 30 GHEDHM C[C@](CC(=O)[O-])(NCc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC001592328631 977749093 /nfs/dbraw/zinc/74/90/93/977749093.db2.gz NMQFOEQJACJKOX-GOSISDBHSA-N -1 3 391.240 3.940 20 30 GHEDHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1F ZINC000468936437 1016245603 /nfs/dbraw/zinc/24/56/03/1016245603.db2.gz MICYXHUQGBZDGR-INIZCTEOSA-N -1 3 386.370 3.837 20 30 GHEDHM CCCC[C@@H](CC)COCCCNC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154559327 1032181037 /nfs/dbraw/zinc/18/10/37/1032181037.db2.gz LGHUXWHBADHRFR-MRXNPFEDSA-N -1 3 383.492 3.753 20 30 GHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1c2c(ccc1Br)OCO2 ZINC001155505428 1032565222 /nfs/dbraw/zinc/56/52/22/1032565222.db2.gz LWWSZFGAMIQJTE-UHFFFAOYSA-N -1 3 381.132 3.580 20 30 GHEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938474 1032704821 /nfs/dbraw/zinc/70/48/21/1032704821.db2.gz VKKAGNSLQFYVEQ-HNNXBMFYSA-N -1 3 384.428 3.994 20 30 GHEDHM CN1[C@@H]2C[C@H](Oc3ccccc3N=CC=Nc3ccccc3[O-])[C@H]1CC(=O)C2 ZINC001228124008 1032797885 /nfs/dbraw/zinc/79/78/85/1032797885.db2.gz HPENPSIXOSEVPQ-LYLBAIIYSA-N -1 3 377.444 3.680 20 30 GHEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccc(Cl)c1 ZINC000576067873 1019976816 /nfs/dbraw/zinc/97/68/16/1019976816.db2.gz MJSNMKDOVWJFCJ-OAHLLOKOSA-N -1 3 385.272 3.531 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc(-c3ccccc3)nc(=S)[n-]2)C[C@H]1C#N ZINC001228346332 1032901135 /nfs/dbraw/zinc/90/11/35/1032901135.db2.gz FTQBXHCTPXGSSM-LSDHHAIUSA-N -1 3 398.488 3.713 20 30 GHEDHM N#Cc1cnc(NCCCc2c[n-][nH]c2=O)c2cc(-c3ccccc3)sc21 ZINC001156280243 1032955487 /nfs/dbraw/zinc/95/54/87/1032955487.db2.gz ZJLOKGFVFLIONS-CQSZACIVSA-N -1 3 375.457 3.759 20 30 GHEDHM COc1cc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)cc(OC)c1[O-] ZINC000754267193 1022570053 /nfs/dbraw/zinc/57/00/53/1022570053.db2.gz LFLMGMBWNFYSCR-UHFFFAOYSA-N -1 3 380.318 3.637 20 30 GHEDHM Fc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1Cl ZINC000755541120 1023288000 /nfs/dbraw/zinc/28/80/00/1023288000.db2.gz DJNLTNHSWLALCP-HNNXBMFYSA-N -1 3 390.827 3.754 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cccn1Cc1cccs1)[n-]c2=O ZINC000755726671 1023353029 /nfs/dbraw/zinc/35/30/29/1023353029.db2.gz OPOUXBQVHBLEQE-UHFFFAOYSA-N -1 3 395.492 3.644 20 30 GHEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141364409 1024728257 /nfs/dbraw/zinc/72/82/57/1024728257.db2.gz XUUCMHDWJNCVQF-NRFANRHFSA-N -1 3 394.471 3.928 20 30 GHEDHM [O-]N=C(Nc1nccc(-c2cccnc2)n1)c1ccc(OC(F)(F)F)cc1 ZINC001163764882 1026308338 /nfs/dbraw/zinc/30/83/38/1026308338.db2.gz CSKZGELGODFMNB-UHFFFAOYSA-N -1 3 375.310 3.685 20 30 GHEDHM Cc1c(Cl)nc(N(C)C)nc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163766076 1026308895 /nfs/dbraw/zinc/30/88/95/1026308895.db2.gz SOECLIXMDLUURC-UHFFFAOYSA-N -1 3 389.765 3.651 20 30 GHEDHM CCOC(=O)COc1ccccc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163768789 1026310252 /nfs/dbraw/zinc/31/02/52/1026310252.db2.gz DNYXQDKQTQBPCO-UHFFFAOYSA-N -1 3 398.337 3.775 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1N[C@@H](c1cccnc1)C(F)(F)F ZINC001164175926 1026440633 /nfs/dbraw/zinc/44/06/33/1026440633.db2.gz MMWYWYZHPULYCW-WUJFOHIQSA-N -1 3 395.385 3.985 20 30 GHEDHM C#CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC001211076160 1027777077 /nfs/dbraw/zinc/77/70/77/1027777077.db2.gz SJYAXDGVYOSDAT-ZDUSSCGKSA-N -1 3 388.798 3.797 20 30 GHEDHM CCN1CCN(c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2F)CC1 ZINC000842940868 1029703312 /nfs/dbraw/zinc/70/33/12/1029703312.db2.gz KRONOOIHVBNFBF-MRXNPFEDSA-N -1 3 398.507 3.792 20 30 GHEDHM COC(=O)c1ccc(C(N)=NC(=O)c2cc3oc(-c4ccccc4)cc3[n-]2)cc1 ZINC001220583295 1031997544 /nfs/dbraw/zinc/99/75/44/1031997544.db2.gz IQGQCEJHBVVWEH-UHFFFAOYSA-N -1 3 387.395 3.760 20 30 GHEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001461838998 1069783144 /nfs/dbraw/zinc/78/31/44/1069783144.db2.gz RODWNTRQTSLGOK-SFHVURJKSA-N -1 3 386.293 3.537 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc(Br)cc3c2CCCC3=O)ccc1[O-] ZINC001157065700 1033397536 /nfs/dbraw/zinc/39/75/36/1033397536.db2.gz LPMNZMYPZRPDIL-UHFFFAOYSA-N -1 3 385.217 3.798 20 30 GHEDHM C[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001205451278 1033418970 /nfs/dbraw/zinc/41/89/70/1033418970.db2.gz CWPWRXWXUBRSTC-VIFPVBQESA-N -1 3 396.373 3.755 20 30 GHEDHM CCOC(=O)C[C@@H](CC#N)Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001230452739 1034067738 /nfs/dbraw/zinc/06/77/38/1034067738.db2.gz IKQKAAKKRSOJPU-MRXNPFEDSA-N -1 3 387.819 3.891 20 30 GHEDHM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(C)cc(Br)c1[O-] ZINC001277540598 1034755855 /nfs/dbraw/zinc/75/58/55/1034755855.db2.gz OPHMVAOBRALUMI-IBGZPJMESA-N -1 3 393.325 3.606 20 30 GHEDHM CCN1C(=O)C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)[C@@H]1c1cccc(C)c1 ZINC001161807519 1035306608 /nfs/dbraw/zinc/30/66/08/1035306608.db2.gz JMLLEPSPCULGFV-XLIONFOSSA-N -1 3 386.879 3.976 20 30 GHEDHM CC(C)(C)OC(=O)NCCN(Cc1ccccc1)Cc1cc(C#N)ccc1[O-] ZINC001232680280 1038476541 /nfs/dbraw/zinc/47/65/41/1038476541.db2.gz BJDUDGMCKMQUIM-UHFFFAOYSA-N -1 3 381.476 3.791 20 30 GHEDHM N#CC=C([O-])c1ccccc1OC1CN(Cc2ccc(Br)cc2)C1 ZINC001233523421 1039410562 /nfs/dbraw/zinc/41/05/62/1039410562.db2.gz AQYCQCZTUIPXMK-UHFFFAOYSA-N -1 3 385.261 3.809 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1OC[C@H]1Cc2cccc(Br)c2O1 ZINC001233803228 1039628925 /nfs/dbraw/zinc/62/89/25/1039628925.db2.gz LVSWBKKZWHJAPX-VDLQQMNMSA-N -1 3 378.222 3.648 20 30 GHEDHM N#CCCCN1CC[C@]2(CCCN2Cc2c([O-])ccc(Cl)c2Cl)C1=O ZINC001277992194 1041798595 /nfs/dbraw/zinc/79/85/95/1041798595.db2.gz FAAHMUOBSIEKMB-GOSISDBHSA-N -1 3 382.291 3.570 20 30 GHEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277993295 1041801606 /nfs/dbraw/zinc/80/16/06/1041801606.db2.gz XFHAORQKGRQTBR-IBGZPJMESA-N -1 3 396.318 3.960 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1 ZINC001259240616 1045036658 /nfs/dbraw/zinc/03/66/58/1045036658.db2.gz GGWZIVZCFBRPNX-UHFFFAOYSA-N -1 3 383.828 3.764 20 30 GHEDHM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)CCc2ccc(F)cc2)nc1 ZINC001259762129 1045291591 /nfs/dbraw/zinc/29/15/91/1045291591.db2.gz NGJCXKFEVIBZOH-UHFFFAOYSA-N -1 3 381.432 3.744 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(Oc2ccccn2)cc1)c1ccc(F)cc1 ZINC001260149398 1045398959 /nfs/dbraw/zinc/39/89/59/1045398959.db2.gz LJUGLWPZSVWPIW-SFHVURJKSA-N -1 3 383.404 3.556 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(F)c1F ZINC001260855205 1045716756 /nfs/dbraw/zinc/71/67/56/1045716756.db2.gz OABBIHQDSYZMER-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM Cc1nn(C)c2nc(C)c(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)cc12 ZINC001306892529 1048947785 /nfs/dbraw/zinc/94/77/85/1048947785.db2.gz FJYYNHZVBJNEKX-UHFFFAOYSA-N -1 3 379.247 3.924 20 30 GHEDHM COC[C@@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccsc1 ZINC001337156519 1052411387 /nfs/dbraw/zinc/41/13/87/1052411387.db2.gz XTTQDMLARUBUQC-GFCCVEGCSA-N -1 3 389.502 3.507 20 30 GHEDHM C=C(C)Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(OC)CC1 ZINC001342476842 1053191187 /nfs/dbraw/zinc/19/11/87/1053191187.db2.gz LNTUBAOCJKJCAF-UHFFFAOYSA-N -1 3 390.915 3.614 20 30 GHEDHM CC(C)CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccnc1 ZINC001317760682 1054249884 /nfs/dbraw/zinc/24/98/84/1054249884.db2.gz MJJCINXUVXFGHB-UHFFFAOYSA-N -1 3 382.489 3.852 20 30 GHEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC001345647406 1055184118 /nfs/dbraw/zinc/18/41/18/1055184118.db2.gz YCITWGMNLCEIJB-CQSZACIVSA-N -1 3 379.441 3.893 20 30 GHEDHM CC(C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccnn1C(C)C ZINC001322446639 1056708316 /nfs/dbraw/zinc/70/83/16/1056708316.db2.gz SMGBZSGVEZKXBI-UHFFFAOYSA-N -1 3 385.493 3.597 20 30 GHEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001340038383 1059643040 /nfs/dbraw/zinc/64/30/40/1059643040.db2.gz JDTJRFFPRFRODF-UHFFFAOYSA-N -1 3 392.806 3.941 20 30 GHEDHM O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N([O-])CCCCc1ccccc1 ZINC001457995415 1063496050 /nfs/dbraw/zinc/49/60/50/1063496050.db2.gz SWBNIGAPVUTJCI-LJQANCHMSA-N -1 3 386.879 3.934 20 30 GHEDHM O=C(Cc1ccccc1O[C@@H]1CCOC1)N([O-])Cc1cccc2ccccc21 ZINC001458020185 1063508611 /nfs/dbraw/zinc/50/86/11/1063508611.db2.gz ZIMHLYOEWLIHQN-HXUWFJFHSA-N -1 3 377.440 3.968 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001200276960 1065791945 /nfs/dbraw/zinc/79/19/45/1065791945.db2.gz PJORNHJYSQIHCQ-ZJUUUORDSA-N -1 3 398.414 3.958 20 30 GHEDHM O=C(c1ccnc(-c2ccccn2)n1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472617374 1073578115 /nfs/dbraw/zinc/57/81/15/1073578115.db2.gz BONNFZFSBOSMOZ-UHFFFAOYSA-N -1 3 375.215 3.877 20 30 GHEDHM C#CCC1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCCCC1 ZINC001475718294 1075007753 /nfs/dbraw/zinc/00/77/53/1075007753.db2.gz RTTCTQPAKQUIIH-UHFFFAOYSA-N -1 3 391.718 3.502 20 30 GHEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)sc2cccc(F)c12 ZINC000737209604 598925043 /nfs/dbraw/zinc/92/50/43/598925043.db2.gz SSLLCZAFUBTLGE-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)sc2cccc(F)c12 ZINC000737209604 598925044 /nfs/dbraw/zinc/92/50/44/598925044.db2.gz SSLLCZAFUBTLGE-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CCCCC2)c1 ZINC000737388643 598925834 /nfs/dbraw/zinc/92/58/34/598925834.db2.gz HCXRCHQZFNFPPE-UHFFFAOYSA-N -1 3 386.459 3.887 20 30 GHEDHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CCCCC2)c1 ZINC000737388643 598925836 /nfs/dbraw/zinc/92/58/36/598925836.db2.gz HCXRCHQZFNFPPE-UHFFFAOYSA-N -1 3 386.459 3.887 20 30 GHEDHM N#Cc1cc(NC(=O)CCc2ccc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737704518 598925913 /nfs/dbraw/zinc/92/59/13/598925913.db2.gz JQFGUQKQCRGMAK-UHFFFAOYSA-N -1 3 387.230 3.616 20 30 GHEDHM N#Cc1cc(NC(=O)CCc2ccc(Cl)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737704518 598925915 /nfs/dbraw/zinc/92/59/15/598925915.db2.gz JQFGUQKQCRGMAK-UHFFFAOYSA-N -1 3 387.230 3.616 20 30 GHEDHM N#Cc1cc(NC(=O)C2(Sc3ccccc3)CCCC2)ccc1-c1nnn[n-]1 ZINC000737703615 598928778 /nfs/dbraw/zinc/92/87/78/598928778.db2.gz DJOBZMNLCFOEGN-UHFFFAOYSA-N -1 3 390.472 3.782 20 30 GHEDHM N#Cc1cc(NC(=O)C2(Sc3ccccc3)CCCC2)ccc1-c1nn[n-]n1 ZINC000737703615 598928781 /nfs/dbraw/zinc/92/87/81/598928781.db2.gz DJOBZMNLCFOEGN-UHFFFAOYSA-N -1 3 390.472 3.782 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737728062 598980345 /nfs/dbraw/zinc/98/03/45/598980345.db2.gz XGSZRHNBVKGVJJ-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737728062 598980347 /nfs/dbraw/zinc/98/03/47/598980347.db2.gz XGSZRHNBVKGVJJ-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM C=CCc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(OC)c1O ZINC000819759306 599112274 /nfs/dbraw/zinc/11/22/74/599112274.db2.gz SVJHHYPRIWETSD-YBEGLDIGSA-N -1 3 388.427 3.522 20 30 GHEDHM C=CCc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(OC)c1O ZINC000819759306 599112276 /nfs/dbraw/zinc/11/22/76/599112276.db2.gz SVJHHYPRIWETSD-YBEGLDIGSA-N -1 3 388.427 3.522 20 30 GHEDHM N#CCCCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737688489 599217427 /nfs/dbraw/zinc/21/74/27/599217427.db2.gz UOEIIIHXCWUTTR-UHFFFAOYSA-N -1 3 383.795 3.773 20 30 GHEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000819692754 599263779 /nfs/dbraw/zinc/26/37/79/599263779.db2.gz JSNDMRJZNPHLDX-UHFFFAOYSA-N -1 3 376.420 3.502 20 30 GHEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000819692754 599263781 /nfs/dbraw/zinc/26/37/81/599263781.db2.gz JSNDMRJZNPHLDX-UHFFFAOYSA-N -1 3 376.420 3.502 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735426341 598276900 /nfs/dbraw/zinc/27/69/00/598276900.db2.gz PRSHLKXOVSYJLJ-UHFFFAOYSA-N -1 3 379.468 3.643 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735426341 598276901 /nfs/dbraw/zinc/27/69/01/598276901.db2.gz PRSHLKXOVSYJLJ-UHFFFAOYSA-N -1 3 379.468 3.643 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(Br)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202346 598376991 /nfs/dbraw/zinc/37/69/91/598376991.db2.gz LNYVHALVURNANM-BQYQJAHWSA-N -1 3 398.264 3.581 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(Br)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202346 598376993 /nfs/dbraw/zinc/37/69/93/598376993.db2.gz LNYVHALVURNANM-BQYQJAHWSA-N -1 3 398.264 3.581 20 30 GHEDHM N#Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1Cl ZINC000737716835 598475923 /nfs/dbraw/zinc/47/59/23/598475923.db2.gz VTFNSGQFTLOMNH-UHFFFAOYSA-N -1 3 393.838 3.588 20 30 GHEDHM N#Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1Cl ZINC000737716835 598475925 /nfs/dbraw/zinc/47/59/25/598475925.db2.gz VTFNSGQFTLOMNH-UHFFFAOYSA-N -1 3 393.838 3.588 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735505571 598495560 /nfs/dbraw/zinc/49/55/60/598495560.db2.gz RGUDVWWBNQWUAM-PLSXKVAHSA-N -1 3 390.472 3.770 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735505571 598495561 /nfs/dbraw/zinc/49/55/61/598495561.db2.gz RGUDVWWBNQWUAM-PLSXKVAHSA-N -1 3 390.472 3.770 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735977946 598554849 /nfs/dbraw/zinc/55/48/49/598554849.db2.gz YIWSRDAYXXZRLZ-BMSUMIBZSA-N -1 3 390.472 3.913 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735977946 598554850 /nfs/dbraw/zinc/55/48/50/598554850.db2.gz YIWSRDAYXXZRLZ-BMSUMIBZSA-N -1 3 390.472 3.913 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(OC(C)C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202921 598640996 /nfs/dbraw/zinc/64/09/96/598640996.db2.gz PVTVMUGDFRYUDH-MDZDMXLPSA-N -1 3 377.448 3.606 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(OC(C)C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202921 598640998 /nfs/dbraw/zinc/64/09/98/598640998.db2.gz PVTVMUGDFRYUDH-MDZDMXLPSA-N -1 3 377.448 3.606 20 30 GHEDHM FC(F)(F)c1ccccc1C=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737637024 598698649 /nfs/dbraw/zinc/69/86/49/598698649.db2.gz XVFVXIMUZDIJKF-UHFFFAOYSA-N -1 3 391.353 3.705 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000736308813 599438146 /nfs/dbraw/zinc/43/81/46/599438146.db2.gz IHIFZNPWPMLXEL-OAHLLOKOSA-N -1 3 385.431 3.708 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000736308813 599438149 /nfs/dbraw/zinc/43/81/49/599438149.db2.gz IHIFZNPWPMLXEL-OAHLLOKOSA-N -1 3 385.431 3.708 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)s1 ZINC000822923421 607455414 /nfs/dbraw/zinc/45/54/14/607455414.db2.gz RLGNMGKLJMDKNV-ARJAWSKDSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)s1 ZINC000822923421 607455415 /nfs/dbraw/zinc/45/54/15/607455415.db2.gz RLGNMGKLJMDKNV-ARJAWSKDSA-N -1 3 379.214 3.726 20 30 GHEDHM N#Cc1ccc([C@H](NCc2cccc(NC(=O)C3CCCC3)c2)C(=O)[O-])cc1 ZINC000739108942 600595169 /nfs/dbraw/zinc/59/51/69/600595169.db2.gz YRAMUNJIMVZKJY-FQEVSTJZSA-N -1 3 377.444 3.602 20 30 GHEDHM C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CCCC1 ZINC000819854793 606177287 /nfs/dbraw/zinc/17/72/87/606177287.db2.gz CCXXTOLGVLUXAR-LRDDRELGSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CCCC1 ZINC000819854793 606177289 /nfs/dbraw/zinc/17/72/89/606177289.db2.gz CCXXTOLGVLUXAR-LRDDRELGSA-N -1 3 392.488 3.993 20 30 GHEDHM N#Cc1csc(C=C2CSCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822845737 606304671 /nfs/dbraw/zinc/30/46/71/606304671.db2.gz GGZJXXQKLLZLRL-FOPVZEHSSA-N -1 3 397.510 3.644 20 30 GHEDHM N#Cc1csc(C=C2CSCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822845737 606304674 /nfs/dbraw/zinc/30/46/74/606304674.db2.gz GGZJXXQKLLZLRL-FOPVZEHSSA-N -1 3 397.510 3.644 20 30 GHEDHM N#Cc1cccc(CC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822836967 606506771 /nfs/dbraw/zinc/50/67/71/606506771.db2.gz CDHCNINUZAFRBK-UHFFFAOYSA-N -1 3 394.438 3.514 20 30 GHEDHM N#Cc1cccc(CC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822836967 606506772 /nfs/dbraw/zinc/50/67/72/606506772.db2.gz CDHCNINUZAFRBK-UHFFFAOYSA-N -1 3 394.438 3.514 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000819745933 606588361 /nfs/dbraw/zinc/58/83/61/606588361.db2.gz VKLYLWXEYPMPLI-ZDUSSCGKSA-N -1 3 398.417 3.604 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000819745933 606588362 /nfs/dbraw/zinc/58/83/62/606588362.db2.gz VKLYLWXEYPMPLI-ZDUSSCGKSA-N -1 3 398.417 3.604 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000819743285 606629147 /nfs/dbraw/zinc/62/91/47/606629147.db2.gz GIRREGGNBXKGSH-GFCCVEGCSA-N -1 3 387.896 3.900 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000819743285 606629149 /nfs/dbraw/zinc/62/91/49/606629149.db2.gz GIRREGGNBXKGSH-GFCCVEGCSA-N -1 3 387.896 3.900 20 30 GHEDHM CN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000821598247 606641955 /nfs/dbraw/zinc/64/19/55/606641955.db2.gz WEXGWPSBYWTNQK-UHFFFAOYSA-N -1 3 397.826 3.690 20 30 GHEDHM CN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000821598247 606641956 /nfs/dbraw/zinc/64/19/56/606641956.db2.gz WEXGWPSBYWTNQK-UHFFFAOYSA-N -1 3 397.826 3.690 20 30 GHEDHM N#Cc1ccc(NC(=O)Cc2csc3ccc(Cl)cc23)cc1-c1nnn[n-]1 ZINC000826385697 607786135 /nfs/dbraw/zinc/78/61/35/607786135.db2.gz XEOGVYQAPGCVOE-UHFFFAOYSA-N -1 3 394.847 3.788 20 30 GHEDHM N#Cc1ccc(NC(=O)Cc2csc3ccc(Cl)cc23)cc1-c1nn[n-]n1 ZINC000826385697 607786136 /nfs/dbraw/zinc/78/61/36/607786136.db2.gz XEOGVYQAPGCVOE-UHFFFAOYSA-N -1 3 394.847 3.788 20 30 GHEDHM CC(C)[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824185391 608063204 /nfs/dbraw/zinc/06/32/04/608063204.db2.gz YEYYLRRRNDABHM-OAHLLOKOSA-N -1 3 396.838 3.590 20 30 GHEDHM CC(C)[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824185391 608063205 /nfs/dbraw/zinc/06/32/05/608063205.db2.gz YEYYLRRRNDABHM-OAHLLOKOSA-N -1 3 396.838 3.590 20 30 GHEDHM N#Cc1cccc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826387448 608301686 /nfs/dbraw/zinc/30/16/86/608301686.db2.gz VTHNCLYGTZKHSZ-UHFFFAOYSA-N -1 3 395.426 3.727 20 30 GHEDHM N#Cc1cccc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826387448 608301688 /nfs/dbraw/zinc/30/16/88/608301688.db2.gz VTHNCLYGTZKHSZ-UHFFFAOYSA-N -1 3 395.426 3.727 20 30 GHEDHM N#CCc1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826382683 608330074 /nfs/dbraw/zinc/33/00/74/608330074.db2.gz PZPIPEFNSWWMQL-UHFFFAOYSA-N -1 3 394.438 3.530 20 30 GHEDHM N#CCc1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826382683 608330076 /nfs/dbraw/zinc/33/00/76/608330076.db2.gz PZPIPEFNSWWMQL-UHFFFAOYSA-N -1 3 394.438 3.530 20 30 GHEDHM Clc1ccc2c(c1)OCCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826352485 608390989 /nfs/dbraw/zinc/39/09/89/608390989.db2.gz CGINUXONDLQVNY-UHFFFAOYSA-N -1 3 390.234 3.557 20 30 GHEDHM Clc1ccc2c(c1)OCCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826352485 608390990 /nfs/dbraw/zinc/39/09/90/608390990.db2.gz CGINUXONDLQVNY-UHFFFAOYSA-N -1 3 390.234 3.557 20 30 GHEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cccc(C#N)c2F)n1 ZINC000826262378 608669650 /nfs/dbraw/zinc/66/96/50/608669650.db2.gz NFYQKCJEKSGQJV-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1OC(F)F ZINC000826401078 608880967 /nfs/dbraw/zinc/88/09/67/608880967.db2.gz OYOBZYHRRWMBQY-KXFIGUGUSA-N -1 3 378.285 3.642 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1OC(F)F ZINC000826401078 608880970 /nfs/dbraw/zinc/88/09/70/608880970.db2.gz OYOBZYHRRWMBQY-KXFIGUGUSA-N -1 3 378.285 3.642 20 30 GHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825415440 609271937 /nfs/dbraw/zinc/27/19/37/609271937.db2.gz AAGVYESRGGUPTI-POHAHGRESA-N -1 3 383.402 3.887 20 30 GHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825415440 609271939 /nfs/dbraw/zinc/27/19/39/609271939.db2.gz AAGVYESRGGUPTI-POHAHGRESA-N -1 3 383.402 3.887 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826332199 609272214 /nfs/dbraw/zinc/27/22/14/609272214.db2.gz MPSUGBGVVCOXDY-KHPPLWFESA-N -1 3 388.406 3.704 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826332199 609272216 /nfs/dbraw/zinc/27/22/16/609272216.db2.gz MPSUGBGVVCOXDY-KHPPLWFESA-N -1 3 388.406 3.704 20 30 GHEDHM Brc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c2ncccc12 ZINC000823826889 609303995 /nfs/dbraw/zinc/30/39/95/609303995.db2.gz QNLPBHYOAMXDDW-UHFFFAOYSA-N -1 3 394.236 3.623 20 30 GHEDHM Brc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC000823826889 609303997 /nfs/dbraw/zinc/30/39/97/609303997.db2.gz QNLPBHYOAMXDDW-UHFFFAOYSA-N -1 3 394.236 3.623 20 30 GHEDHM Cn1cc(C=NNc2ccc(Cl)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360666 609306559 /nfs/dbraw/zinc/30/65/59/609306559.db2.gz SZHWQHXOTIJKFO-UHFFFAOYSA-N -1 3 396.817 3.506 20 30 GHEDHM Cn1cc(C=NNc2ccc(Cl)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360666 609306561 /nfs/dbraw/zinc/30/65/61/609306561.db2.gz SZHWQHXOTIJKFO-UHFFFAOYSA-N -1 3 396.817 3.506 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826281173 609308101 /nfs/dbraw/zinc/30/81/01/609308101.db2.gz HHZBYZQFFLVRCT-PKNBQFBNSA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826281173 609308103 /nfs/dbraw/zinc/30/81/03/609308103.db2.gz HHZBYZQFFLVRCT-PKNBQFBNSA-N -1 3 384.443 3.780 20 30 GHEDHM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824414143 609471172 /nfs/dbraw/zinc/47/11/72/609471172.db2.gz VFVIQBAPRNETHC-UHFFFAOYSA-N -1 3 385.815 3.849 20 30 GHEDHM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824414143 609471174 /nfs/dbraw/zinc/47/11/74/609471174.db2.gz VFVIQBAPRNETHC-UHFFFAOYSA-N -1 3 385.815 3.849 20 30 GHEDHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 ZINC000376041827 836619815 /nfs/dbraw/zinc/61/98/15/836619815.db2.gz AXQLTQSMVFIUHL-KXBFYZLASA-N -1 3 377.488 3.921 20 30 GHEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000580140322 838952246 /nfs/dbraw/zinc/95/22/46/838952246.db2.gz KQWOJMHTFCMZAM-UHFFFAOYSA-N -1 3 395.440 3.945 20 30 GHEDHM Nc1ccc(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)c(F)c1 ZINC000659991246 839158959 /nfs/dbraw/zinc/15/89/59/839158959.db2.gz MTNSSHVGTUGHCG-UHFFFAOYSA-N -1 3 396.328 3.740 20 30 GHEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1 ZINC000584786611 840870591 /nfs/dbraw/zinc/87/05/91/840870591.db2.gz RLHFIVISSROVIO-NSHDSACASA-N -1 3 389.255 3.927 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(F)cc1Br ZINC000319113439 841206582 /nfs/dbraw/zinc/20/65/82/841206582.db2.gz SKBWMGYIXOPFCN-UHFFFAOYSA-N -1 3 383.242 3.878 20 30 GHEDHM C=CCCCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430662350 842280764 /nfs/dbraw/zinc/28/07/64/842280764.db2.gz HRYCMTKYWLCMNZ-UHFFFAOYSA-N -1 3 383.673 3.982 20 30 GHEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432304085 843003358 /nfs/dbraw/zinc/00/33/58/843003358.db2.gz ZYVPDQNMYZEJQK-OAHLLOKOSA-N -1 3 386.370 3.712 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(F)c1 ZINC000135377211 843127072 /nfs/dbraw/zinc/12/70/72/843127072.db2.gz NETBJIIXCAJRDB-UHFFFAOYSA-N -1 3 376.743 3.753 20 30 GHEDHM N#Cc1cscc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000432685786 843470547 /nfs/dbraw/zinc/47/05/47/843470547.db2.gz QDABFVFORAZQGM-UHFFFAOYSA-N -1 3 383.483 3.888 20 30 GHEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)c1ccccc1 ZINC000120387703 843710511 /nfs/dbraw/zinc/71/05/11/843710511.db2.gz BMKPTIMNVQQLEU-HXUWFJFHSA-N -1 3 379.504 3.669 20 30 GHEDHM COc1cc([C@@H](C#N)NC(=O)c2cc([O-])c3ccccc3c2)cc(OC)c1OC ZINC000471941999 843738415 /nfs/dbraw/zinc/73/84/15/843738415.db2.gz IAQOGGNZSNLDGK-QGZVFWFLSA-N -1 3 392.411 3.566 20 30 GHEDHM CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000729240730 844801279 /nfs/dbraw/zinc/80/12/79/844801279.db2.gz YGSLPLPMSQCZJP-WTKPLQERSA-N -1 3 395.864 3.712 20 30 GHEDHM COc1cccc(N(CC(C)C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000513582807 845687742 /nfs/dbraw/zinc/68/77/42/845687742.db2.gz RSAJPAGPNAVMLM-UHFFFAOYSA-N -1 3 381.476 3.906 20 30 GHEDHM CC(C)(C)OC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1 ZINC000503563966 847787611 /nfs/dbraw/zinc/78/76/11/847787611.db2.gz VSYAHPSGZPLDOK-MRXNPFEDSA-N -1 3 388.427 3.713 20 30 GHEDHM N#CCCN(C(=O)c1cc2c(cc1[O-])CCCC2)c1ccc2c(c1)OCCO2 ZINC000436572606 852075622 /nfs/dbraw/zinc/07/56/22/852075622.db2.gz ZUSWEVBERQLVKC-UHFFFAOYSA-N -1 3 378.428 3.603 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000732524844 862335798 /nfs/dbraw/zinc/33/57/98/862335798.db2.gz OGCKJLMDHHTKEJ-UHFFFAOYSA-N -1 3 391.424 3.845 20 30 GHEDHM N#Cc1cccc(COc2cccc(CN[C@@H](C(=O)[O-])c3ccc(O)cc3)c2)c1 ZINC000426790371 852400341 /nfs/dbraw/zinc/40/03/41/852400341.db2.gz CZNZXAHHRSVYOT-JOCHJYFZSA-N -1 3 388.423 3.758 20 30 GHEDHM N#CC1(NC(=O)c2cc3ccccc3cc2[O-])CCN(Cc2ccccc2)CC1 ZINC000436885186 852456409 /nfs/dbraw/zinc/45/64/09/852456409.db2.gz JERZIGPTQGZEFD-UHFFFAOYSA-N -1 3 385.467 3.834 20 30 GHEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3c[n-]c4ccccc4c3=O)s2)cc1 ZINC000507245417 852715016 /nfs/dbraw/zinc/71/50/16/852715016.db2.gz AGKOIKISYZUDIA-UHFFFAOYSA-N -1 3 386.436 3.699 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3c(CC#N)cccc3C2)s1 ZINC000913342813 853260827 /nfs/dbraw/zinc/26/08/27/853260827.db2.gz PDLIVAHLVKBEKU-UHFFFAOYSA-N -1 3 398.488 3.755 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000156488832 853814066 /nfs/dbraw/zinc/81/40/66/853814066.db2.gz GAYJWKOWTHXKGN-OAHLLOKOSA-N -1 3 391.305 3.883 20 30 GHEDHM N#CCCCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000588382444 854301532 /nfs/dbraw/zinc/30/15/32/854301532.db2.gz RZTSIOHRKALXCH-UHFFFAOYSA-N -1 3 377.872 3.697 20 30 GHEDHM CSc1cc2c(cc1[N-]C(=O)c1coc(C3CCOCC3)n1)OCCO2 ZINC000328832129 854566673 /nfs/dbraw/zinc/56/66/73/854566673.db2.gz VQJGABHUVXMEDK-UHFFFAOYSA-N -1 3 376.434 3.698 20 30 GHEDHM C#Cc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182990972 855718893 /nfs/dbraw/zinc/71/88/93/855718893.db2.gz KULVUKUZVFJECJ-QFIPXVFZSA-N -1 3 384.435 3.873 20 30 GHEDHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3cnc(Cl)cc3C#N)no2)c1 ZINC001270943245 856978318 /nfs/dbraw/zinc/97/83/18/856978318.db2.gz NDNKRMLNVUYBLC-UHFFFAOYSA-N -1 3 396.790 3.629 20 30 GHEDHM COc1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)c(Br)c1[O-] ZINC000761014450 857393591 /nfs/dbraw/zinc/39/35/91/857393591.db2.gz FUJWSJAOGJKWPQ-UHFFFAOYSA-N -1 3 397.179 3.764 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC000443087502 858346630 /nfs/dbraw/zinc/34/66/30/858346630.db2.gz KHZJSNQJJMOYCX-CQSZACIVSA-N -1 3 379.825 3.549 20 30 GHEDHM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3nccc4ccccc43)c2)o1 ZINC000483190767 859216354 /nfs/dbraw/zinc/21/63/54/859216354.db2.gz DTMRWWZPHGBCMC-GOSISDBHSA-N -1 3 384.395 3.921 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1Br ZINC000483215824 859227194 /nfs/dbraw/zinc/22/71/94/859227194.db2.gz SHNSPOPEVCOYJH-LBPRGKRZSA-N -1 3 382.217 3.891 20 30 GHEDHM Cc1cc(Cl)cc2c1N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000117683932 859570533 /nfs/dbraw/zinc/57/05/33/859570533.db2.gz CZGKWRNADSVNBT-UHFFFAOYSA-N -1 3 383.879 3.737 20 30 GHEDHM COc1cccc(N2CC[C@H](/N=C/c3cc(Br)ccc3[O-])C2)c1 ZINC000728174230 860449561 /nfs/dbraw/zinc/44/95/61/860449561.db2.gz MSBMEKICFMYINP-BBJIBYMTSA-N -1 3 375.266 3.861 20 30 GHEDHM CCOCCCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc([O-])cc1F ZINC000729932935 860466550 /nfs/dbraw/zinc/46/65/50/860466550.db2.gz SNOGMTPYPKFRGD-UHFFFAOYSA-N -1 3 398.438 3.504 20 30 GHEDHM CCOc1cc(C=NNc2cnnc3ccccc32)cc(Br)c1[O-] ZINC000733750435 863143660 /nfs/dbraw/zinc/14/36/60/863143660.db2.gz ZCBLSTJWJGWFGR-UHFFFAOYSA-N -1 3 387.237 3.943 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccccc2-c2nnn[n-]2)c1 ZINC000737252464 865380996 /nfs/dbraw/zinc/38/09/96/865380996.db2.gz ZURSVQAITVSDDQ-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccccc2-c2nn[n-]n2)c1 ZINC000737252464 865381010 /nfs/dbraw/zinc/38/10/10/865381010.db2.gz ZURSVQAITVSDDQ-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM Cc1nc(-c2cccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2)cs1 ZINC000174009781 865865720 /nfs/dbraw/zinc/86/57/20/865865720.db2.gz KLAHJPKBIIJPST-INIZCTEOSA-N -1 3 377.473 3.927 20 30 GHEDHM N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857303824 882190055 /nfs/dbraw/zinc/19/00/55/882190055.db2.gz ORMHOMLCNZDHOG-SFHVURJKSA-N -1 3 375.350 3.504 20 30 GHEDHM CCCC[C@H](Cc1ccccn1)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000747119559 882200243 /nfs/dbraw/zinc/20/02/43/882200243.db2.gz YPIOLMVQHRBLSM-GOSISDBHSA-N -1 3 381.476 3.948 20 30 GHEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cnc2ccccc2n1 ZINC000744755757 869052807 /nfs/dbraw/zinc/05/28/07/869052807.db2.gz JLSYAMSNQPEAGD-UHFFFAOYSA-N -1 3 378.486 3.685 20 30 GHEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccc(OCc2ccccc2)n1 ZINC001192340981 870300696 /nfs/dbraw/zinc/30/06/96/870300696.db2.gz KDIQCOZDPZKTPI-UHFFFAOYSA-N -1 3 393.424 3.633 20 30 GHEDHM N#Cc1ccc(OC2CCC(NC(=O)c3cc([O-])c4ccccc4c3)CC2)nc1 ZINC000525928268 871711728 /nfs/dbraw/zinc/71/17/28/871711728.db2.gz QEUORAYFGVVSHU-UHFFFAOYSA-N -1 3 387.439 3.932 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2c(s1)CCOC2 ZINC000103330289 871776827 /nfs/dbraw/zinc/77/68/27/871776827.db2.gz DYTPVZMPNLDHQC-NSHDSACASA-N -1 3 378.812 3.574 20 30 GHEDHM O=S(=O)(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc([O-])cc1 ZINC001195805801 872676793 /nfs/dbraw/zinc/67/67/93/872676793.db2.gz GQUVHZZXOLZSAB-UHFFFAOYSA-N -1 3 389.248 3.768 20 30 GHEDHM N#Cc1cc(Cl)c(NS(=O)(=O)c2ccc([O-])cc2)cc1C(F)(F)F ZINC001195811314 872682152 /nfs/dbraw/zinc/68/21/52/872682152.db2.gz YMCYRKLCJMYOFV-UHFFFAOYSA-N -1 3 376.743 3.737 20 30 GHEDHM CC(C)(C)c1cc(NC([O-])=NO[C@@H]2CCCCO2)n(-c2ccc(C#N)cc2)n1 ZINC000794382716 882742195 /nfs/dbraw/zinc/74/21/95/882742195.db2.gz OASCHFNQADWUOE-GOSISDBHSA-N -1 3 383.452 3.621 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCSC1=Nc1ccccc1 ZINC000921233769 882749574 /nfs/dbraw/zinc/74/95/74/882749574.db2.gz FGDYAQGIJYLMQA-UHFFFAOYSA-N -1 3 394.500 3.862 20 30 GHEDHM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000769946352 874358809 /nfs/dbraw/zinc/35/88/09/874358809.db2.gz RVBNXMMFHUNWTD-CQSZACIVSA-N -1 3 388.855 3.867 20 30 GHEDHM C=CCNc1ncc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000770119324 874474284 /nfs/dbraw/zinc/47/42/84/874474284.db2.gz PZGMRPCDOUOVSW-VIFPVBQESA-N -1 3 390.490 3.986 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cccnc1I ZINC001199765029 875170519 /nfs/dbraw/zinc/17/05/19/875170519.db2.gz YMIPTOOXBZAPOU-UHFFFAOYSA-N -1 3 389.152 3.556 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)cc1C#N ZINC001201293204 875608333 /nfs/dbraw/zinc/60/83/33/875608333.db2.gz STTXWRRRZVDGJW-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000179981853 878295600 /nfs/dbraw/zinc/29/56/00/878295600.db2.gz YIQARWGSSUIINB-CQSZACIVSA-N -1 3 375.787 3.622 20 30 GHEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000790788441 880000093 /nfs/dbraw/zinc/00/00/93/880000093.db2.gz WXISKDKKGGNSAP-UHFFFAOYSA-N -1 3 398.178 3.841 20 30 GHEDHM CCc1nc(-c2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc2)n[nH]1 ZINC000152970294 880017928 /nfs/dbraw/zinc/01/79/28/880017928.db2.gz ONZXVKOVXMYZMD-AWEZNQCLSA-N -1 3 385.349 3.938 20 30 GHEDHM CCOC(=O)C[C@H]([N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000855517744 880555698 /nfs/dbraw/zinc/55/56/98/880555698.db2.gz XAJHSTFTDRXQHF-JQWIXIFHSA-N -1 3 389.267 3.716 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000855554767 880590339 /nfs/dbraw/zinc/59/03/39/880590339.db2.gz YIKSXOUUJGIYLQ-FQEVSTJZSA-N -1 3 379.460 3.607 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC2CC2)cc1OC ZINC000791771948 880670082 /nfs/dbraw/zinc/67/00/82/880670082.db2.gz RLCZMHPZXXPPGV-KRWDZBQOSA-N -1 3 394.427 3.596 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCC)c2ccccc2)ccc1F ZINC000914466667 883337670 /nfs/dbraw/zinc/33/76/70/883337670.db2.gz MGXWKBGQRMCBPK-GOSISDBHSA-N -1 3 390.480 3.561 20 30 GHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)cc2I)c1O ZINC000760211279 883590159 /nfs/dbraw/zinc/59/01/59/883590159.db2.gz GLIZOTASNBANMD-UHFFFAOYSA-N -1 3 389.576 3.812 20 30 GHEDHM CCc1cc2c(CN3CCO[C@@H](c4cccc(C#N)c4)C3)cc(=O)oc2cc1[O-] ZINC000761760911 884092274 /nfs/dbraw/zinc/09/22/74/884092274.db2.gz ABAXGJAEGGSRIQ-JOCHJYFZSA-N -1 3 390.439 3.506 20 30 GHEDHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(C#N)cc4)CCCC3)nc21 ZINC000860297486 884539627 /nfs/dbraw/zinc/53/96/27/884539627.db2.gz YSMVMSWYIOLMEU-UHFFFAOYSA-N -1 3 388.427 3.672 20 30 GHEDHM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)C(=O)Nc1cccc3ccccc31)OC2=O ZINC000860469349 884706173 /nfs/dbraw/zinc/70/61/73/884706173.db2.gz HXOKCNPVOLUQHG-UZFJHSOTSA-N -1 3 390.439 3.609 20 30 GHEDHM C#C[C@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)(C)C ZINC000807884541 885809640 /nfs/dbraw/zinc/80/96/40/885809640.db2.gz OTJCMNMZXWTDGM-ZDUSSCGKSA-N -1 3 395.684 3.722 20 30 GHEDHM Cc1ccc(-n2nc(Br)cc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000119953894 887661293 /nfs/dbraw/zinc/66/12/93/887661293.db2.gz QZHROLZXYAVFKS-CQSZACIVSA-N -1 3 381.233 3.828 20 30 GHEDHM COc1cc(C(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)c(OC)cc1[O-] ZINC000763106638 887668729 /nfs/dbraw/zinc/66/87/29/887668729.db2.gz QSRSFLYJOZUFTH-XQRVVYSFSA-N -1 3 380.343 3.916 20 30 GHEDHM COCCC[C@H](C/N=C\c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000794682459 887754348 /nfs/dbraw/zinc/75/43/48/887754348.db2.gz VNQKSWFREDRCTL-YSUUHWHMSA-N -1 3 376.884 3.871 20 30 GHEDHM COc1cc(C(=O)/C=C\c2ccc(C(=O)N3CCCC3)cc2)c(OC)cc1[O-] ZINC000865220779 888253489 /nfs/dbraw/zinc/25/34/89/888253489.db2.gz PWBFWUVCTGLOCQ-YFHOEESVSA-N -1 3 381.428 3.542 20 30 GHEDHM C[C@@H](N[C@H](CCO)c1ccccc1Br)c1cccc(C#N)c1[O-] ZINC000866335097 888836276 /nfs/dbraw/zinc/83/62/76/888836276.db2.gz DNECHLPBQYINOI-SJKOYZFVSA-N -1 3 375.266 3.801 20 30 GHEDHM CCOC(=O)CCOc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794935591 888952651 /nfs/dbraw/zinc/95/26/51/888952651.db2.gz SGMIFTXQLKFLCG-CLFYSBASSA-N -1 3 376.355 3.899 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(Br)cc3cccnc32)c1 ZINC000811184974 889271945 /nfs/dbraw/zinc/27/19/45/889271945.db2.gz GFHDUKVTBAKGGB-UHFFFAOYSA-N -1 3 383.201 3.932 20 30 GHEDHM N#Cc1ccc(N2CC[C@H](OC(=O)c3cc4cc(Cl)sc4[n-]3)C2=O)cc1 ZINC000811396741 889537510 /nfs/dbraw/zinc/53/75/10/889537510.db2.gz RZKGUJAURHYMHS-AWEZNQCLSA-N -1 3 385.832 3.717 20 30 GHEDHM C=CCOc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000811515234 889712329 /nfs/dbraw/zinc/71/23/29/889712329.db2.gz WTCWJZJFQIWYMT-AWEZNQCLSA-N -1 3 390.833 3.795 20 30 GHEDHM COC(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000916930892 890424295 /nfs/dbraw/zinc/42/42/95/890424295.db2.gz HTIOZYUXLNJPPC-CYBMUJFWSA-N -1 3 391.210 3.741 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CSc2ccccc2)cc1 ZINC000916942905 890580439 /nfs/dbraw/zinc/58/04/39/890580439.db2.gz PFCZAMJCSVPNTG-MENFKHAKSA-N -1 3 394.452 3.817 20 30 GHEDHM O=C1C[C@H](/N=C\c2cc(Br)ccc2[O-])CN1c1ccccc1F ZINC000812444898 890638070 /nfs/dbraw/zinc/63/80/70/890638070.db2.gz ILZYQMNNIMPPPE-CCSWUNFSSA-N -1 3 377.213 3.518 20 30 GHEDHM Cc1ccc(-c2nn(-c3ccccc3)cc2C=[NH+][N-]c2ncnc3[n-]cnc32)cc1 ZINC000917554281 892199337 /nfs/dbraw/zinc/19/93/37/892199337.db2.gz APSADXFJDOPGBO-UHFFFAOYSA-N -1 3 394.442 3.960 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000815909271 894284984 /nfs/dbraw/zinc/28/49/84/894284984.db2.gz WCOUUTICLRAXAO-GFCCVEGCSA-N -1 3 392.333 3.787 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cn1 ZINC000815909240 894285425 /nfs/dbraw/zinc/28/54/25/894285425.db2.gz VLEYQXMKGMPPMY-OAHLLOKOSA-N -1 3 381.432 3.619 20 30 GHEDHM CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)cc1 ZINC000820471335 897348571 /nfs/dbraw/zinc/34/85/71/897348571.db2.gz SVNHLCSNPNPZJH-HXUWFJFHSA-N -1 3 396.487 3.673 20 30 GHEDHM Cc1oc(C=O)cc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC001136358111 897417818 /nfs/dbraw/zinc/41/78/18/897417818.db2.gz FBZOWWIEPWYULZ-UHFFFAOYSA-N -1 3 384.442 3.668 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2Cl)ccc1F ZINC000155280624 898558309 /nfs/dbraw/zinc/55/83/09/898558309.db2.gz XYAOIIKIFNAPKZ-UHFFFAOYSA-N -1 3 382.844 3.504 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2c(F)cc(F)cc2F)c(C)c1[O-] ZINC001186059849 914289635 /nfs/dbraw/zinc/28/96/35/914289635.db2.gz NFPBELWFBLVXHL-UHFFFAOYSA-N -1 3 393.321 3.810 20 30 GHEDHM N#Cc1ccccc1C=C1CSCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826387009 899174061 /nfs/dbraw/zinc/17/40/61/899174061.db2.gz BVOGIYAVTCCTNP-XFQWXJFMSA-N -1 3 385.452 3.521 20 30 GHEDHM N#Cc1ccccc1C=C1CSCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826387009 899174066 /nfs/dbraw/zinc/17/40/66/899174066.db2.gz BVOGIYAVTCCTNP-XFQWXJFMSA-N -1 3 385.452 3.521 20 30 GHEDHM N#Cc1nc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1Cl ZINC000826387736 899264326 /nfs/dbraw/zinc/26/43/26/899264326.db2.gz OBIRYLMFYBTCDQ-UHFFFAOYSA-N -1 3 382.758 3.957 20 30 GHEDHM N#Cc1nc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1Cl ZINC000826387736 899264342 /nfs/dbraw/zinc/26/43/42/899264342.db2.gz OBIRYLMFYBTCDQ-UHFFFAOYSA-N -1 3 382.758 3.957 20 30 GHEDHM C=CCN(C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000823903852 899292992 /nfs/dbraw/zinc/29/29/92/899292992.db2.gz MKTGZLBIRUGOEB-HNNXBMFYSA-N -1 3 388.475 3.955 20 30 GHEDHM C=CCN(C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000823903852 899293005 /nfs/dbraw/zinc/29/30/05/899293005.db2.gz MKTGZLBIRUGOEB-HNNXBMFYSA-N -1 3 388.475 3.955 20 30 GHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401117 899728060 /nfs/dbraw/zinc/72/80/60/899728060.db2.gz QAXDJGKYYALKPW-QPJJXVBHSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401117 899728071 /nfs/dbraw/zinc/72/80/71/899728071.db2.gz QAXDJGKYYALKPW-QPJJXVBHSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400940 899761183 /nfs/dbraw/zinc/76/11/83/899761183.db2.gz LOIRSOFBDKCTPF-KTAJNNJTSA-N -1 3 378.285 3.642 20 30 GHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400940 899761193 /nfs/dbraw/zinc/76/11/93/899761193.db2.gz LOIRSOFBDKCTPF-KTAJNNJTSA-N -1 3 378.285 3.642 20 30 GHEDHM C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824897878 899866487 /nfs/dbraw/zinc/86/64/87/899866487.db2.gz CFAVURJVHDFJJU-DFBGVHRSSA-N -1 3 378.461 3.603 20 30 GHEDHM C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824897878 899866495 /nfs/dbraw/zinc/86/64/95/899866495.db2.gz CFAVURJVHDFJJU-DFBGVHRSSA-N -1 3 378.461 3.603 20 30 GHEDHM CC(C)(C)OC(=O)[C@@]1(C([O-])=C(C#N)c2cnc3ccccc3n2)CC=CCC1 ZINC000845530277 902233433 /nfs/dbraw/zinc/23/34/33/902233433.db2.gz FMALPFVSEOUUSH-QRQCRPRQSA-N -1 3 377.444 3.874 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nc(C2CCCC2)no1 ZINC000845841529 902457947 /nfs/dbraw/zinc/45/79/47/902457947.db2.gz OPSLKCRZCFYTRE-KRWDZBQOSA-N -1 3 377.444 3.670 20 30 GHEDHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000887994572 904100951 /nfs/dbraw/zinc/10/09/51/904100951.db2.gz BRLRAFJIUFTIMZ-UHFFFAOYSA-N -1 3 375.226 3.501 20 30 GHEDHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000773149797 904489531 /nfs/dbraw/zinc/48/95/31/904489531.db2.gz MIQALFZEEFYPNB-FDYOOJASSA-N -1 3 393.281 3.546 20 30 GHEDHM N#Cc1ccc(OC2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)cc1 ZINC000579445094 904612050 /nfs/dbraw/zinc/61/20/50/904612050.db2.gz UXBGDPCLRXMEOA-UHFFFAOYSA-N -1 3 386.455 3.764 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1[C@H](C)C1CC1 ZINC000777304096 905723615 /nfs/dbraw/zinc/72/36/15/905723615.db2.gz MDJIOSVDMQSUSL-BXUZGUMPSA-N -1 3 388.830 3.916 20 30 GHEDHM Cc1cccc(OC(F)F)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000299642471 921539247 /nfs/dbraw/zinc/53/92/47/921539247.db2.gz SRGVUWKSXRWTGA-UHFFFAOYSA-N -1 3 375.375 3.757 20 30 GHEDHM CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1 ZINC001180777025 910359103 /nfs/dbraw/zinc/35/91/03/910359103.db2.gz OVPIXMZZCBOIIQ-SFHVURJKSA-N -1 3 381.432 3.811 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC000774053702 911293184 /nfs/dbraw/zinc/29/31/84/911293184.db2.gz PFQRIFKQYKNYBW-NSHDSACASA-N -1 3 397.740 3.637 20 30 GHEDHM N#Cc1cccc([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c1F ZINC001189036337 916356490 /nfs/dbraw/zinc/35/64/90/916356490.db2.gz HERSYDRSXLHISJ-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1csc(-c2ccncc2)n1 ZINC001190334979 917266468 /nfs/dbraw/zinc/26/64/68/917266468.db2.gz VBVLFEJQYDQYTK-UHFFFAOYSA-N -1 3 384.424 3.786 20 30 GHEDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccccc1Oc1ccc(C#N)cc1F ZINC000775479537 918214877 /nfs/dbraw/zinc/21/48/77/918214877.db2.gz ZEYBCWAYEOYZHU-UHFFFAOYSA-N -1 3 387.392 3.597 20 30 GHEDHM Cc1nn(Cc2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000901376282 921053940 /nfs/dbraw/zinc/05/39/40/921053940.db2.gz SCYVRECVYMZZJO-UHFFFAOYSA-N -1 3 398.394 3.627 20 30 GHEDHM C=C1c2ccccc2C(=O)N1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380316 921058213 /nfs/dbraw/zinc/05/82/13/921058213.db2.gz TWXBQQRLHIYJSJ-UHFFFAOYSA-N -1 3 377.227 3.838 20 30 GHEDHM COc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1NC(C)=O ZINC000726428041 926659168 /nfs/dbraw/zinc/65/91/68/926659168.db2.gz DDOIKRQKZUBOMK-GQCTYLIASA-N -1 3 375.808 3.917 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccc(F)cc3)n2C)n1 ZINC000750405080 927605859 /nfs/dbraw/zinc/60/58/59/927605859.db2.gz YWGNVTORPQKWRX-AWEZNQCLSA-N -1 3 397.431 3.954 20 30 GHEDHM COC(=O)c1cc(C)nc2nc(SCCC3(C#N)CCCCC3)[n-]c(=O)c21 ZINC000412989096 928078599 /nfs/dbraw/zinc/07/85/99/928078599.db2.gz FGPQRXDGGUTODV-UHFFFAOYSA-N -1 3 386.477 3.782 20 30 GHEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000752159526 928648605 /nfs/dbraw/zinc/64/86/05/928648605.db2.gz DOYIRIFTRUZQJZ-MRXNPFEDSA-N -1 3 387.395 3.844 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000469992024 930300756 /nfs/dbraw/zinc/30/07/56/930300756.db2.gz OFPKHTWNVBYXNA-UHFFFAOYSA-N -1 3 375.831 3.659 20 30 GHEDHM COc1cccc2c1C/C(=C\c1cc(Br)c([O-])c(OC)c1)C2=O ZINC000759663499 930444150 /nfs/dbraw/zinc/44/41/50/930444150.db2.gz DAQRIDIOWCNUOO-IZZDOVSWSA-N -1 3 375.218 3.994 20 30 GHEDHM Cc1[nH]c2ccc(F)cc2c1CN=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000782225874 931128620 /nfs/dbraw/zinc/12/86/20/931128620.db2.gz GVVGXAZJXQWCKT-UHFFFAOYSA-N -1 3 381.415 3.662 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CC2CCC(F)(F)CC2)no1 ZINC000924259417 931296039 /nfs/dbraw/zinc/29/60/39/931296039.db2.gz DAHKUYNVLIGKGZ-UHFFFAOYSA-N -1 3 376.407 3.812 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1[O-] ZINC000777873305 933820406 /nfs/dbraw/zinc/82/04/06/933820406.db2.gz LDQPKQIMNLYCOI-WAXRZFIUSA-N -1 3 380.275 3.593 20 30 GHEDHM C#CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000931616270 934645669 /nfs/dbraw/zinc/64/56/69/934645669.db2.gz AJYBLEJUSFLLBQ-UHFFFAOYSA-N -1 3 385.489 3.591 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(CC#N)CC1 ZINC001121721645 934747702 /nfs/dbraw/zinc/74/77/02/934747702.db2.gz PQWBJRBHCNMIEZ-UHFFFAOYSA-N -1 3 385.899 3.738 20 30 GHEDHM C#CCC1(NC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC001573285276 946773385 /nfs/dbraw/zinc/77/33/85/946773385.db2.gz VCVUHHCMERRNFY-UHFFFAOYSA-N -1 3 388.431 3.727 20 30 GHEDHM C#CCC1(NC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC001573285276 946773400 /nfs/dbraw/zinc/77/34/00/946773400.db2.gz VCVUHHCMERRNFY-UHFFFAOYSA-N -1 3 388.431 3.727 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001573294891 947002690 /nfs/dbraw/zinc/00/26/90/947002690.db2.gz LVCGGFJJVCNQHO-YJBOKZPZSA-N -1 3 392.511 3.716 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001573294891 947002702 /nfs/dbraw/zinc/00/27/02/947002702.db2.gz LVCGGFJJVCNQHO-YJBOKZPZSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CC(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001573305101 947147292 /nfs/dbraw/zinc/14/72/92/947147292.db2.gz MJUYXSODLXYEBL-UHFFFAOYSA-N -1 3 381.411 3.736 20 30 GHEDHM C=CC(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001573305101 947147296 /nfs/dbraw/zinc/14/72/96/947147296.db2.gz MJUYXSODLXYEBL-UHFFFAOYSA-N -1 3 381.411 3.736 20 30 GHEDHM C=CC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1Br)c1ccccc1 ZINC001573319436 947331551 /nfs/dbraw/zinc/33/15/51/947331551.db2.gz NWWCYRAGXVJZHR-ZDUSSCGKSA-N -1 3 398.264 3.928 20 30 GHEDHM C=CC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1Br)c1ccccc1 ZINC001573319436 947331567 /nfs/dbraw/zinc/33/15/67/947331567.db2.gz NWWCYRAGXVJZHR-ZDUSSCGKSA-N -1 3 398.264 3.928 20 30 GHEDHM C=CCC1(C(=O)OCc2cc(Br)cc(-c3nnn[n-]3)c2)CCCC1 ZINC001573328846 947414031 /nfs/dbraw/zinc/41/40/31/947414031.db2.gz CXMAJTMZXQCKAO-UHFFFAOYSA-N -1 3 391.269 3.809 20 30 GHEDHM C=CCC1(C(=O)OCc2cc(Br)cc(-c3nn[n-]n3)c2)CCCC1 ZINC001573328846 947414041 /nfs/dbraw/zinc/41/40/41/947414041.db2.gz CXMAJTMZXQCKAO-UHFFFAOYSA-N -1 3 391.269 3.809 20 30 GHEDHM C=CCCCCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001226735223 1032101230 /nfs/dbraw/zinc/10/12/30/1032101230.db2.gz VETWPYLKXFDDOL-CQSZACIVSA-N -1 3 383.414 3.725 20 30 GHEDHM CC(C)[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCN1Cc1ccccc1 ZINC001591096965 991697092 /nfs/dbraw/zinc/69/70/92/991697092.db2.gz ZUPDZPPSJYNGOV-JOCHJYFZSA-N -1 3 377.488 3.599 20 30 GHEDHM CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001591343127 992324102 /nfs/dbraw/zinc/32/41/02/992324102.db2.gz RBVYCUBVWABNFX-UHFFFAOYSA-N -1 3 397.431 3.588 20 30 GHEDHM C[C@]12CC3CC(NC(=O)c4cc(=O)c5cc(C#N)ccc5[n-]4)(C1)C[C@@](C)(C3)C2 ZINC001154558877 1032180439 /nfs/dbraw/zinc/18/04/39/1032180439.db2.gz BJEUHHVAHAFDIB-TURSSXEVSA-N -1 3 375.472 3.879 20 30 GHEDHM CCOC(=O)c1cc(C)cnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155908907 1032783533 /nfs/dbraw/zinc/78/35/33/1032783533.db2.gz CZBJHFUVAAAALX-UHFFFAOYSA-N -1 3 383.326 3.713 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2cc(-c3ccccc3)nc(=S)[n-]2)C1 ZINC001228346201 1032900086 /nfs/dbraw/zinc/90/00/86/1032900086.db2.gz AHMGOTNKBCRVMP-HOCLYGCPSA-N -1 3 398.488 3.570 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000835060397 1021832151 /nfs/dbraw/zinc/83/21/51/1021832151.db2.gz ACOOJQRYPGXYTP-CYBMUJFWSA-N -1 3 398.850 3.681 20 30 GHEDHM N#Cc1ccc2[nH]c(C(=O)NCc3cc(Cl)c4cccnc4c3[O-])cc2c1 ZINC001156461464 1033044852 /nfs/dbraw/zinc/04/48/52/1033044852.db2.gz OOFAPWLGBPFEFE-UHFFFAOYSA-N -1 3 376.803 3.877 20 30 GHEDHM CN1Cc2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc([N+](=O)[O-])c2N1 ZINC001163770148 1026311913 /nfs/dbraw/zinc/31/19/13/1026311913.db2.gz FUVLZLBWVSAQNT-UHFFFAOYSA-N -1 3 397.313 3.514 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1N[C@H](c1cccnc1)C(F)(F)F ZINC001164175924 1026440262 /nfs/dbraw/zinc/44/02/62/1026440262.db2.gz MMWYWYZHPULYCW-LOLZCCBGSA-N -1 3 395.385 3.985 20 30 GHEDHM C[C@@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C1 ZINC000842684727 1029491341 /nfs/dbraw/zinc/49/13/41/1029491341.db2.gz JOCVCDRYCAYVLS-ZYHUDNBSSA-N -1 3 391.258 3.733 20 30 GHEDHM COc1cc(Nc2cnc(OC)c([O-])c2)c(C#N)cc1OCc1ccccc1 ZINC001216210784 1029566791 /nfs/dbraw/zinc/56/67/91/1029566791.db2.gz SMVGGPNCZOPNSI-UHFFFAOYSA-N -1 3 377.400 3.999 20 30 GHEDHM COc1ccc2cc(C(=O)NC(=N[O-])c3ccc(OC(F)(F)F)cc3)[nH]c2c1 ZINC001149573078 1030229362 /nfs/dbraw/zinc/22/93/62/1030229362.db2.gz XHMSXEDXVBDCSS-UHFFFAOYSA-N -1 3 393.321 3.641 20 30 GHEDHM CCOC(=O)c1cccc([C@H](Oc2[n-]c(C)cc(=O)c2C#N)C(F)(F)F)c1 ZINC001225469806 1031428706 /nfs/dbraw/zinc/42/87/06/1031428706.db2.gz OHZRYQIFUGANKP-HNNXBMFYSA-N -1 3 380.322 3.826 20 30 GHEDHM C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3[n-]c(=O)ncc3C(=O)OCC)[C@@H]12 ZINC001225899686 1031684245 /nfs/dbraw/zinc/68/42/45/1031684245.db2.gz QMIDDZWWWCSCRS-FPTRFJJWSA-N -1 3 396.443 3.765 20 30 GHEDHM Cc1cc(F)c(C#N)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC001220005482 1031741897 /nfs/dbraw/zinc/74/18/97/1031741897.db2.gz GMGQVIJXMDNIGR-UHFFFAOYSA-N -1 3 378.201 3.796 20 30 GHEDHM COc1ccc2c(c1)C[C@@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])CC2 ZINC001159360823 1034563113 /nfs/dbraw/zinc/56/31/13/1034563113.db2.gz INYOWTUFIWSVAF-BFNDQCEFSA-N -1 3 378.885 3.638 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3cc(C(=O)[O-])ccc3F)C2)CC1 ZINC001231456380 1034600348 /nfs/dbraw/zinc/60/03/48/1034600348.db2.gz WCOSUUYVJJJNMK-UHFFFAOYSA-N -1 3 390.455 3.525 20 30 GHEDHM CCOC(=O)N1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001161784583 1035301505 /nfs/dbraw/zinc/30/15/05/1035301505.db2.gz NBPWBYZZNNNDNI-UHFFFAOYSA-N -1 3 375.252 3.580 20 30 GHEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277831475 1039837998 /nfs/dbraw/zinc/83/79/98/1039837998.db2.gz XJESZTZAFQRMQU-IBGZPJMESA-N -1 3 396.318 3.960 20 30 GHEDHM CCOC(=O)C[C@@H](CC#N)Oc1c(-c2ccccc2[O-])oc2ccccc2c1=O ZINC001234378887 1039991951 /nfs/dbraw/zinc/99/19/51/1039991951.db2.gz CYKKMJNOOZPHCX-CQSZACIVSA-N -1 3 393.395 3.780 20 30 GHEDHM CCOC(=O)C(F)(F)[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234513477 1040091445 /nfs/dbraw/zinc/09/14/45/1040091445.db2.gz LVGZPGGGFWKLFF-MRXNPFEDSA-N -1 3 399.353 3.526 20 30 GHEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1cc(C#N)ccc1C(F)(F)F ZINC001255118926 1040807997 /nfs/dbraw/zinc/80/79/97/1040807997.db2.gz ZPLYPNJBJJGZHE-UHFFFAOYSA-N -1 3 387.358 3.700 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Br)cc1F ZINC001256072274 1041508412 /nfs/dbraw/zinc/50/84/12/1041508412.db2.gz GVFPYQKBWHOUOF-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(F)c1 ZINC001259407624 1045131368 /nfs/dbraw/zinc/13/13/68/1045131368.db2.gz SOZSVECQRMVAHK-UHFFFAOYSA-N -1 3 393.436 3.757 20 30 GHEDHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c(-c2ccccc2)s1 ZINC001463031068 1070743864 /nfs/dbraw/zinc/74/38/64/1070743864.db2.gz KEBFGHQJJNXZHG-UHFFFAOYSA-N -1 3 387.461 3.608 20 30 GHEDHM CCCCn1ncc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c1CC ZINC001263332428 1046717610 /nfs/dbraw/zinc/71/76/10/1046717610.db2.gz PIDYBBIITWEOQJ-SFHVURJKSA-N -1 3 375.476 3.980 20 30 GHEDHM CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306899744 1048951748 /nfs/dbraw/zinc/95/17/48/1048951748.db2.gz AISGKTYKOMNINW-SJORKVTESA-N -1 3 390.411 3.807 20 30 GHEDHM N#CC(=C([O-])c1cnnn1-c1c(Cl)cccc1Cl)c1cccc(F)n1 ZINC001343349500 1053720594 /nfs/dbraw/zinc/72/05/94/1053720594.db2.gz IBMKVCIEHBAIHL-VIFPVBQESA-N -1 3 376.178 3.598 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1c[nH]c2cc(F)ccc12 ZINC001319136651 1055055401 /nfs/dbraw/zinc/05/54/01/1055055401.db2.gz UXYBCPBLLHOLKT-UHFFFAOYSA-N -1 3 382.420 3.661 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=Nc2ccccn2)n1N=Cc1ccccn1 ZINC001324027272 1057057742 /nfs/dbraw/zinc/05/77/42/1057057742.db2.gz MJTUXQXIGLUFKT-UHFFFAOYSA-N -1 3 389.440 3.532 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC001339855065 1059519918 /nfs/dbraw/zinc/51/99/18/1059519918.db2.gz NSAUZOVUDYKOCX-SCLBCKFNSA-N -1 3 394.454 3.662 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001458017465 1063508570 /nfs/dbraw/zinc/50/85/70/1063508570.db2.gz QVWKAXGJHAAONJ-YTQUADARSA-N -1 3 382.460 3.813 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC001458031112 1063514326 /nfs/dbraw/zinc/51/43/26/1063514326.db2.gz YMQIIEGDGHLAFC-UHFFFAOYSA-N -1 3 392.431 3.522 20 30 GHEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-]CC(=O)c1cc2ccccc2s1 ZINC001464314354 1064952257 /nfs/dbraw/zinc/95/22/57/1064952257.db2.gz NIPVRNPVWICHOV-UHFFFAOYSA-N -1 3 398.509 3.692 20 30 GHEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001465535559 1065696627 /nfs/dbraw/zinc/69/66/27/1065696627.db2.gz NXHJCYJDKLLDJH-RXMQYKEDSA-N -1 3 385.243 3.864 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)c1ccc2c(c1)CCO2 ZINC001475738795 1075012053 /nfs/dbraw/zinc/01/20/53/1075012053.db2.gz OUWFPNUMDMZVFW-GFCCVEGCSA-N -1 3 384.482 3.747 20 30 GHEDHM O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)N[C@H]1CCCN([O-])C1=O ZINC001476022767 1075070374 /nfs/dbraw/zinc/07/03/74/1075070374.db2.gz HYZDJKNSYNGMRD-INIZCTEOSA-N -1 3 391.880 3.993 20 30 GHEDHM Oc1cccc(C=NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1O ZINC000738401093 598825376 /nfs/dbraw/zinc/82/53/76/598825376.db2.gz OREOVXPSDDOIBP-RGVLZGJSSA-N -1 3 377.429 3.626 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000735408630 598849422 /nfs/dbraw/zinc/84/94/22/598849422.db2.gz QBEHHLVUMNXFNC-UHFFFAOYSA-N -1 3 386.525 3.679 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1-c1nnn[n-]1 ZINC000737718309 598925597 /nfs/dbraw/zinc/92/55/97/598925597.db2.gz HJGVEDPWJJIPPW-UHFFFAOYSA-N -1 3 391.394 3.692 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1-c1nn[n-]n1 ZINC000737718309 598925599 /nfs/dbraw/zinc/92/55/99/598925599.db2.gz HJGVEDPWJJIPPW-UHFFFAOYSA-N -1 3 391.394 3.692 20 30 GHEDHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCCC1 ZINC000737419514 598928653 /nfs/dbraw/zinc/92/86/53/598928653.db2.gz CZOFZDAKYBPYHK-UHFFFAOYSA-N -1 3 386.459 3.887 20 30 GHEDHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCCC1 ZINC000737419514 598928655 /nfs/dbraw/zinc/92/86/55/598928655.db2.gz CZOFZDAKYBPYHK-UHFFFAOYSA-N -1 3 386.459 3.887 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737081315 599154761 /nfs/dbraw/zinc/15/47/61/599154761.db2.gz MWOGHSASVICLHZ-ALCCZGGFSA-N -1 3 390.321 3.670 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737081315 599154763 /nfs/dbraw/zinc/15/47/63/599154763.db2.gz MWOGHSASVICLHZ-ALCCZGGFSA-N -1 3 390.321 3.670 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737706761 599198212 /nfs/dbraw/zinc/19/82/12/599198212.db2.gz YWRXCELHXNWQPN-UXHICEINSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737706761 599198215 /nfs/dbraw/zinc/19/82/15/599198215.db2.gz YWRXCELHXNWQPN-UXHICEINSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716693 599198736 /nfs/dbraw/zinc/19/87/36/599198736.db2.gz UHUDHLORSUOTCD-PMACEKPBSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716693 599198738 /nfs/dbraw/zinc/19/87/38/599198738.db2.gz UHUDHLORSUOTCD-PMACEKPBSA-N -1 3 380.411 3.634 20 30 GHEDHM Cn1c2ccccc2c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)sc21 ZINC000737592953 599200289 /nfs/dbraw/zinc/20/02/89/599200289.db2.gz NQUDKWPZJLZYMK-UHFFFAOYSA-N -1 3 399.439 3.697 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccncc1 ZINC000735443568 599286701 /nfs/dbraw/zinc/28/67/01/599286701.db2.gz XGGJSZIHXGHYGF-CYBMUJFWSA-N -1 3 390.476 3.560 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccncc1 ZINC000735443568 599286703 /nfs/dbraw/zinc/28/67/03/599286703.db2.gz XGGJSZIHXGHYGF-CYBMUJFWSA-N -1 3 390.476 3.560 20 30 GHEDHM C=CCN(CCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735418859 598280510 /nfs/dbraw/zinc/28/05/10/598280510.db2.gz KMGJCELXYJJFJJ-UHFFFAOYSA-N -1 3 393.495 3.686 20 30 GHEDHM C=CCN(CCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735418859 598280511 /nfs/dbraw/zinc/28/05/11/598280511.db2.gz KMGJCELXYJJFJJ-UHFFFAOYSA-N -1 3 393.495 3.686 20 30 GHEDHM C#CCCCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735375688 598412421 /nfs/dbraw/zinc/41/24/21/598412421.db2.gz OWMPPZQPDZKBIR-UHFFFAOYSA-N -1 3 378.457 3.729 20 30 GHEDHM C#CCCCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735375688 598412422 /nfs/dbraw/zinc/41/24/22/598412422.db2.gz OWMPPZQPDZKBIR-UHFFFAOYSA-N -1 3 378.457 3.729 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735416689 598554302 /nfs/dbraw/zinc/55/43/02/598554302.db2.gz ORCRQXYCRKRHBY-CQSZACIVSA-N -1 3 379.420 3.579 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735416689 598554303 /nfs/dbraw/zinc/55/43/03/598554303.db2.gz ORCRQXYCRKRHBY-CQSZACIVSA-N -1 3 379.420 3.579 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735973103 598561688 /nfs/dbraw/zinc/56/16/88/598561688.db2.gz CUPKEYKYIZYQPD-GFCCVEGCSA-N -1 3 379.449 3.905 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735973103 598561689 /nfs/dbraw/zinc/56/16/89/598561689.db2.gz CUPKEYKYIZYQPD-GFCCVEGCSA-N -1 3 379.449 3.905 20 30 GHEDHM C=CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000735416243 598647176 /nfs/dbraw/zinc/64/71/76/598647176.db2.gz FRYMGIUCSQFKLR-UHFFFAOYSA-N -1 3 398.426 3.887 20 30 GHEDHM C=CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccc1 ZINC000735416243 598647178 /nfs/dbraw/zinc/64/71/78/598647178.db2.gz FRYMGIUCSQFKLR-UHFFFAOYSA-N -1 3 398.426 3.887 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)c1cccc(F)c1 ZINC000735418914 598655861 /nfs/dbraw/zinc/65/58/61/598655861.db2.gz LPVSDMAXYAKBGR-PTNGSMBKSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(C)c1cccc(F)c1 ZINC000735418914 598655863 /nfs/dbraw/zinc/65/58/63/598655863.db2.gz LPVSDMAXYAKBGR-PTNGSMBKSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000735420799 598727011 /nfs/dbraw/zinc/72/70/11/598727011.db2.gz UCPNRGIOCBYGEH-RTBURBONSA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000735420799 598727013 /nfs/dbraw/zinc/72/70/13/598727013.db2.gz UCPNRGIOCBYGEH-RTBURBONSA-N -1 3 382.512 3.779 20 30 GHEDHM COc1ccc2cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)ccc2c1 ZINC000737119669 599458387 /nfs/dbraw/zinc/45/83/87/599458387.db2.gz RTGULZPQHABLKU-VURMDHGXSA-N -1 3 396.410 3.572 20 30 GHEDHM COc1ccc2cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)ccc2c1 ZINC000737119669 599458389 /nfs/dbraw/zinc/45/83/89/599458389.db2.gz RTGULZPQHABLKU-VURMDHGXSA-N -1 3 396.410 3.572 20 30 GHEDHM CC(C)Sc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735921363 599462342 /nfs/dbraw/zinc/46/23/42/599462342.db2.gz QEDGQURBOVLHEC-TWGQIWQCSA-N -1 3 390.472 3.911 20 30 GHEDHM CC(C)Sc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735921363 599462345 /nfs/dbraw/zinc/46/23/45/599462345.db2.gz QEDGQURBOVLHEC-TWGQIWQCSA-N -1 3 390.472 3.911 20 30 GHEDHM Cc1c(C(=O)C=Cc2cnc(C(C)(C)C)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202483 599462966 /nfs/dbraw/zinc/46/29/66/599462966.db2.gz MUQQHYWFRXKMIX-FPLPWBNLSA-N -1 3 382.493 3.573 20 30 GHEDHM Cc1c(C(=O)C=Cc2cnc(C(C)(C)C)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202483 599462970 /nfs/dbraw/zinc/46/29/70/599462970.db2.gz MUQQHYWFRXKMIX-FPLPWBNLSA-N -1 3 382.493 3.573 20 30 GHEDHM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819733956 607388460 /nfs/dbraw/zinc/38/84/60/607388460.db2.gz FZVCFKBGXXDJBW-HNAYVOBHSA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733956 607388461 /nfs/dbraw/zinc/38/84/61/607388461.db2.gz FZVCFKBGXXDJBW-HNAYVOBHSA-N -1 3 376.464 3.934 20 30 GHEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000737415235 599911864 /nfs/dbraw/zinc/91/18/64/599911864.db2.gz HKVRQEHHCVHHGF-MRXNPFEDSA-N -1 3 395.415 3.516 20 30 GHEDHM CC1(C)C(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1(C)C ZINC000820583317 606134674 /nfs/dbraw/zinc/13/46/74/606134674.db2.gz CHWLTKFMIOAQNX-ZDUSSCGKSA-N -1 3 392.488 3.849 20 30 GHEDHM CC1(C)C(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1(C)C ZINC000820583317 606134676 /nfs/dbraw/zinc/13/46/76/606134676.db2.gz CHWLTKFMIOAQNX-ZDUSSCGKSA-N -1 3 392.488 3.849 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCCCC2)c(F)c1 ZINC000822924219 606304329 /nfs/dbraw/zinc/30/43/29/606304329.db2.gz ZBAITQITZVWRCJ-FNORWQNLSA-N -1 3 383.452 3.954 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCCCC2)c(F)c1 ZINC000822924219 606304332 /nfs/dbraw/zinc/30/43/32/606304332.db2.gz ZBAITQITZVWRCJ-FNORWQNLSA-N -1 3 383.452 3.954 20 30 GHEDHM C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820555471 606325329 /nfs/dbraw/zinc/32/53/29/606325329.db2.gz LOCSXMZNWVIEIJ-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820555471 606325330 /nfs/dbraw/zinc/32/53/30/606325330.db2.gz LOCSXMZNWVIEIJ-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820495567 606354547 /nfs/dbraw/zinc/35/45/47/606354547.db2.gz IAMFRFHIZCBYIA-OAHLLOKOSA-N -1 3 391.431 3.592 20 30 GHEDHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820495567 606354548 /nfs/dbraw/zinc/35/45/48/606354548.db2.gz IAMFRFHIZCBYIA-OAHLLOKOSA-N -1 3 391.431 3.592 20 30 GHEDHM N#Cc1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822825670 606599348 /nfs/dbraw/zinc/59/93/48/606599348.db2.gz KYEZJKYEBMUMPX-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822825670 606599349 /nfs/dbraw/zinc/59/93/49/606599349.db2.gz KYEZJKYEBMUMPX-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(Cl)cc(Cl)c1 ZINC000822936259 606695308 /nfs/dbraw/zinc/69/53/08/606695308.db2.gz TXHSVAFIKQCODM-IHWYPQMZSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(Cl)cc(Cl)c1 ZINC000822936259 606695309 /nfs/dbraw/zinc/69/53/09/606695309.db2.gz TXHSVAFIKQCODM-IHWYPQMZSA-N -1 3 385.214 3.717 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000819743130 606861646 /nfs/dbraw/zinc/86/16/46/606861646.db2.gz DDOHQQXJMPHNON-UHFFFAOYSA-N -1 3 387.487 3.794 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000819743130 606861648 /nfs/dbraw/zinc/86/16/48/606861648.db2.gz DDOHQQXJMPHNON-UHFFFAOYSA-N -1 3 387.487 3.794 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)(C)C#N ZINC000824723238 607806103 /nfs/dbraw/zinc/80/61/03/607806103.db2.gz NLHWKNJUIJWFDW-CYBMUJFWSA-N -1 3 377.404 3.754 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C#N ZINC000824723238 607806104 /nfs/dbraw/zinc/80/61/04/607806104.db2.gz NLHWKNJUIJWFDW-CYBMUJFWSA-N -1 3 377.404 3.754 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)c1ccccc1 ZINC000823882588 608173119 /nfs/dbraw/zinc/17/31/19/608173119.db2.gz AFKPYVAWYVXWAY-AWEZNQCLSA-N -1 3 387.447 3.535 20 30 GHEDHM C=C[C@@H](CC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)c1ccccc1 ZINC000823882588 608173120 /nfs/dbraw/zinc/17/31/20/608173120.db2.gz AFKPYVAWYVXWAY-AWEZNQCLSA-N -1 3 387.447 3.535 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1cc(-c2nnn[n-]2)cs1)CC3 ZINC000826212594 608228869 /nfs/dbraw/zinc/22/88/69/608228869.db2.gz VKODQPQYUUEKAK-POHAHGRESA-N -1 3 377.429 3.631 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1cc(-c2nn[n-]n2)cs1)CC3 ZINC000826212594 608228871 /nfs/dbraw/zinc/22/88/71/608228871.db2.gz VKODQPQYUUEKAK-POHAHGRESA-N -1 3 377.429 3.631 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1cccs1 ZINC000823937182 608397885 /nfs/dbraw/zinc/39/78/85/608397885.db2.gz LIHMVIHMNXQJJQ-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1cccs1 ZINC000823937182 608397886 /nfs/dbraw/zinc/39/78/86/608397886.db2.gz LIHMVIHMNXQJJQ-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C=CCC[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000823894803 608537544 /nfs/dbraw/zinc/53/75/44/608537544.db2.gz XIBDTWOMZPBSPZ-SFHVURJKSA-N -1 3 387.447 3.714 20 30 GHEDHM C=CCC[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000823894803 608537547 /nfs/dbraw/zinc/53/75/47/608537547.db2.gz XIBDTWOMZPBSPZ-SFHVURJKSA-N -1 3 387.447 3.714 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(C(F)(F)F)c1 ZINC000823958582 608538510 /nfs/dbraw/zinc/53/85/10/608538510.db2.gz RISRPOQVZGKAFB-UHFFFAOYSA-N -1 3 381.749 3.770 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(C(F)(F)F)c1 ZINC000823958582 608538511 /nfs/dbraw/zinc/53/85/11/608538511.db2.gz RISRPOQVZGKAFB-UHFFFAOYSA-N -1 3 381.749 3.770 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000823909508 608583870 /nfs/dbraw/zinc/58/38/70/608583870.db2.gz GUBBGVOKLOSIEG-SFHVURJKSA-N -1 3 393.878 3.765 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000823909508 608583871 /nfs/dbraw/zinc/58/38/71/608583871.db2.gz GUBBGVOKLOSIEG-SFHVURJKSA-N -1 3 393.878 3.765 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1ccccc1 ZINC000823937051 608668841 /nfs/dbraw/zinc/66/88/41/608668841.db2.gz GEHCRIXKLIWNCS-UHFFFAOYSA-N -1 3 393.451 3.743 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1ccccc1 ZINC000823937051 608668843 /nfs/dbraw/zinc/66/88/43/608668843.db2.gz GEHCRIXKLIWNCS-UHFFFAOYSA-N -1 3 393.451 3.743 20 30 GHEDHM CC[C@H](C)[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825053029 609140339 /nfs/dbraw/zinc/14/03/39/609140339.db2.gz ZNBGGBSMKAFMPL-HUBLWGQQSA-N -1 3 380.477 3.849 20 30 GHEDHM CC[C@H](C)[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825053029 609140340 /nfs/dbraw/zinc/14/03/40/609140340.db2.gz ZNBGGBSMKAFMPL-HUBLWGQQSA-N -1 3 380.477 3.849 20 30 GHEDHM C#CCCCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823840731 609140499 /nfs/dbraw/zinc/14/04/99/609140499.db2.gz CRUYCYZKSMZMMR-MRXNPFEDSA-N -1 3 390.472 3.750 20 30 GHEDHM C#CCCCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823840731 609140500 /nfs/dbraw/zinc/14/05/00/609140500.db2.gz CRUYCYZKSMZMMR-MRXNPFEDSA-N -1 3 390.472 3.750 20 30 GHEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C#N ZINC000826249690 609168642 /nfs/dbraw/zinc/16/86/42/609168642.db2.gz OSACKSAAODFNOU-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C#N ZINC000826249690 609168643 /nfs/dbraw/zinc/16/86/43/609168643.db2.gz OSACKSAAODFNOU-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000823958678 609277265 /nfs/dbraw/zinc/27/72/65/609277265.db2.gz VBTKKMPDHXOZSK-UHFFFAOYSA-N -1 3 389.316 3.732 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000823958678 609277266 /nfs/dbraw/zinc/27/72/66/609277266.db2.gz VBTKKMPDHXOZSK-UHFFFAOYSA-N -1 3 389.316 3.732 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826281172 609307735 /nfs/dbraw/zinc/30/77/35/609307735.db2.gz HHZBYZQFFLVRCT-LUAWRHEFSA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826281172 609307736 /nfs/dbraw/zinc/30/77/36/609307736.db2.gz HHZBYZQFFLVRCT-LUAWRHEFSA-N -1 3 384.443 3.780 20 30 GHEDHM CC(C)(C#N)COC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000824059099 609354204 /nfs/dbraw/zinc/35/42/04/609354204.db2.gz MLNATNUIJHOQPC-UHFFFAOYSA-N -1 3 393.472 3.866 20 30 GHEDHM CC(C)(C#N)COC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000824059099 609354206 /nfs/dbraw/zinc/35/42/06/609354206.db2.gz MLNATNUIJHOQPC-UHFFFAOYSA-N -1 3 393.472 3.866 20 30 GHEDHM Cc1nc2scc(C3CC3)n2c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826329725 609474202 /nfs/dbraw/zinc/47/42/02/609474202.db2.gz PDPSXSDNVLLLCL-UHFFFAOYSA-N -1 3 398.883 3.861 20 30 GHEDHM N#Cc1cccc(COc2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)c1 ZINC000826386562 609487800 /nfs/dbraw/zinc/48/78/00/609487800.db2.gz JUDOPRCNTGOXTL-UHFFFAOYSA-N -1 3 388.456 3.991 20 30 GHEDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cc(C#N)cs3)nc(=O)c2c1C ZINC000176839917 834517921 /nfs/dbraw/zinc/51/79/21/834517921.db2.gz VZKPHOWJPIAXTC-WMZJFQQLSA-N -1 3 391.861 3.750 20 30 GHEDHM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000569638960 835455967 /nfs/dbraw/zinc/45/59/67/835455967.db2.gz OYXFVRHOXARHMF-GFCCVEGCSA-N -1 3 379.338 3.712 20 30 GHEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2c(F)ccc(Br)c2F)n1 ZINC000278674513 835765887 /nfs/dbraw/zinc/76/58/87/835765887.db2.gz BPTYNYDVASXYLC-UHFFFAOYSA-N -1 3 383.196 3.803 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000728232049 836523047 /nfs/dbraw/zinc/52/30/47/836523047.db2.gz RKBQLJSYDHBICQ-OJXHRBAXSA-N -1 3 397.471 3.851 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(CC)c([N+](=O)[O-])c1 ZINC000177600231 836846623 /nfs/dbraw/zinc/84/66/23/836846623.db2.gz BXCZBKLQOSKTKN-HNNXBMFYSA-N -1 3 381.388 3.517 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000177181419 837881717 /nfs/dbraw/zinc/88/17/17/837881717.db2.gz PDQPJLICRUJZFR-UHFFFAOYSA-N -1 3 389.440 3.606 20 30 GHEDHM O=C(COCC(F)(F)F)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000511735746 840573644 /nfs/dbraw/zinc/57/36/44/840573644.db2.gz AOIPQZBHQTXBDL-JTQLQIEISA-N -1 3 381.219 3.587 20 30 GHEDHM O=C([O-])C[C@H](CCNCc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000417659915 841097035 /nfs/dbraw/zinc/09/70/35/841097035.db2.gz PVZGRGWCUKNQFD-QMMMGPOBSA-N -1 3 377.256 3.857 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)cc1 ZINC000128550378 861195726 /nfs/dbraw/zinc/19/57/26/861195726.db2.gz MRJMFRXVRKTXCS-MRXNPFEDSA-N -1 3 376.391 3.535 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N\C[C@@H](c1cccs1)N1CCOCC1 ZINC000255354180 841964551 /nfs/dbraw/zinc/96/45/51/841964551.db2.gz NCPJXHBZHHLOGT-VUQQOUJSSA-N -1 3 395.322 3.709 20 30 GHEDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000006210788 842365049 /nfs/dbraw/zinc/36/50/49/842365049.db2.gz YELVDUVESUEUGT-GHXNOFRVSA-N -1 3 385.832 3.688 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Br ZINC000432762914 843746005 /nfs/dbraw/zinc/74/60/05/843746005.db2.gz LOLYRGHVMMXLAV-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1Br ZINC000432772202 843763273 /nfs/dbraw/zinc/76/32/73/843763273.db2.gz RISHRQCLBSUUDP-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)c1 ZINC000500647483 843771707 /nfs/dbraw/zinc/77/17/07/843771707.db2.gz BBJCXCUKWKJDRB-UHFFFAOYSA-N -1 3 395.868 3.580 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1C(F)(F)F ZINC000431180392 843789868 /nfs/dbraw/zinc/78/98/68/843789868.db2.gz HAIHFTKWBJVVDV-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3c(Cl)cc(F)cc3Cl)n2)cc1 ZINC000432983108 844846116 /nfs/dbraw/zinc/84/61/16/844846116.db2.gz FGDMRUPHVLMKBC-UHFFFAOYSA-N -1 3 390.205 3.896 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000119629677 845692118 /nfs/dbraw/zinc/69/21/18/845692118.db2.gz HTCLHHOITAGLJC-CQSZACIVSA-N -1 3 387.779 3.526 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000121778552 846512188 /nfs/dbraw/zinc/51/21/88/846512188.db2.gz QSHCUDGSCRBAAX-CYBMUJFWSA-N -1 3 375.743 3.657 20 30 GHEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C)Sc2ccc(Br)cc2)c1[O-] ZINC000731562642 861713945 /nfs/dbraw/zinc/71/39/45/861713945.db2.gz DTQGYVVMDCJJIN-YXZFXQPTSA-N -1 3 395.322 3.950 20 30 GHEDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000511117505 847163371 /nfs/dbraw/zinc/16/33/71/847163371.db2.gz YDAPZJUKKAJICS-UHFFFAOYSA-N -1 3 384.379 3.917 20 30 GHEDHM COCC[S@](=O)Cc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255562502 848886749 /nfs/dbraw/zinc/88/67/49/848886749.db2.gz WERVPCVWYWPAEI-QHCPKHFHSA-N -1 3 396.306 3.800 20 30 GHEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000435395303 850463539 /nfs/dbraw/zinc/46/35/39/850463539.db2.gz RZUYUUJKGWZWQA-UHFFFAOYSA-N -1 3 395.440 3.821 20 30 GHEDHM CCCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1-c1cccc(C#N)c1 ZINC000440073845 850745567 /nfs/dbraw/zinc/74/55/67/850745567.db2.gz GAPYDGWBBMSVTD-UHFFFAOYSA-N -1 3 376.416 3.663 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000424966140 850828670 /nfs/dbraw/zinc/82/86/70/850828670.db2.gz IDFPAPVKBYQROU-FUHWJXTLSA-N -1 3 397.500 3.526 20 30 GHEDHM Cc1cccn2c1ncc(C([O-])=C(C#N)c1nc(-c3ccccc3)cs1)c2=O ZINC000180740381 862308860 /nfs/dbraw/zinc/30/88/60/862308860.db2.gz LXLSELSPSZGDFX-OAHLLOKOSA-N -1 3 386.436 3.617 20 30 GHEDHM CC(C)(CCC#N)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436739918 852257402 /nfs/dbraw/zinc/25/74/02/852257402.db2.gz PGKFQEIGYNPGGN-FQEVSTJZSA-N -1 3 393.487 3.700 20 30 GHEDHM C=C(C)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000490023698 852730474 /nfs/dbraw/zinc/73/04/74/852730474.db2.gz BZVRQNPQTUOLHV-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM COc1cc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cc(Br)c1[O-] ZINC000912825297 852759279 /nfs/dbraw/zinc/75/92/79/852759279.db2.gz QKLCSNJZDRYGKQ-UHFFFAOYSA-N -1 3 397.179 3.764 20 30 GHEDHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(=O)[n-]1 ZINC000437460665 853159198 /nfs/dbraw/zinc/15/91/98/853159198.db2.gz HLBPRHVGEGQDFZ-UHFFFAOYSA-N -1 3 392.390 3.783 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000126550935 853214725 /nfs/dbraw/zinc/21/47/25/853214725.db2.gz OQWPRCDNFRJOPF-AWEZNQCLSA-N -1 3 391.355 3.871 20 30 GHEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1cc(C#N)ccc1NC1CC1)c2=O ZINC000588028092 854085118 /nfs/dbraw/zinc/08/51/18/854085118.db2.gz LDAQKHWRFBEEEY-UHFFFAOYSA-N -1 3 376.391 3.674 20 30 GHEDHM CCOc1ccc(C[C@@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000590891960 855628948 /nfs/dbraw/zinc/62/89/48/855628948.db2.gz YAXLBOLSKGJURR-OAHLLOKOSA-N -1 3 395.503 3.602 20 30 GHEDHM CCOCc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1 ZINC000273760786 856021544 /nfs/dbraw/zinc/02/15/44/856021544.db2.gz OODFURMNELAJAU-UHFFFAOYSA-N -1 3 378.432 3.647 20 30 GHEDHM CC[C@H](C)Oc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccn1 ZINC000273786885 856036019 /nfs/dbraw/zinc/03/60/19/856036019.db2.gz ALEDRHGQNXOXJM-LBPRGKRZSA-N -1 3 393.447 3.683 20 30 GHEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436758470 856232706 /nfs/dbraw/zinc/23/27/06/856232706.db2.gz XVMYUDDGCFJTEN-UHFFFAOYSA-N -1 3 389.367 3.741 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)ccc1C#N ZINC000508094493 856905300 /nfs/dbraw/zinc/90/53/00/856905300.db2.gz LDSSJMWPJMVKBI-KRWDZBQOSA-N -1 3 393.390 3.930 20 30 GHEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508144429 856991324 /nfs/dbraw/zinc/99/13/24/856991324.db2.gz WCNISAAJCOGKNM-GFCCVEGCSA-N -1 3 386.848 3.672 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(-c3ccc(C)o3)nc2C)cc1 ZINC000131822023 856997682 /nfs/dbraw/zinc/99/76/82/856997682.db2.gz DANYRDJIIZWCND-HNNXBMFYSA-N -1 3 395.440 3.990 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000485941724 857233500 /nfs/dbraw/zinc/23/35/00/857233500.db2.gz PZILCXYQVGAKDR-CYBMUJFWSA-N -1 3 388.798 3.836 20 30 GHEDHM COc1ccc(CN=Nc2nc(-c3ccccc3)no2)c(Br)c1[O-] ZINC000761011132 857262068 /nfs/dbraw/zinc/26/20/68/857262068.db2.gz ICXZDPSMYJZFEP-UHFFFAOYSA-N -1 3 389.209 3.659 20 30 GHEDHM COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2OC)c(Br)c1[O-] ZINC000761013700 857328573 /nfs/dbraw/zinc/32/85/73/857328573.db2.gz SYFXYKWFDGBQAN-UHFFFAOYSA-N -1 3 396.197 3.526 20 30 GHEDHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000593540057 857618057 /nfs/dbraw/zinc/61/80/57/857618057.db2.gz IQFNGKGDBPRERN-GOSISDBHSA-N -1 3 390.505 3.773 20 30 GHEDHM Cc1cccc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CCCC2)c1 ZINC000443065367 858333670 /nfs/dbraw/zinc/33/36/70/858333670.db2.gz FFDKMXFRSAZHJI-UHFFFAOYSA-N -1 3 385.445 3.523 20 30 GHEDHM CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000443139970 858400255 /nfs/dbraw/zinc/40/02/55/858400255.db2.gz HFDOGJDEYONIML-UHFFFAOYSA-N -1 3 389.443 3.877 20 30 GHEDHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCCN1c1ccccc1F ZINC000761183327 858925795 /nfs/dbraw/zinc/92/57/95/858925795.db2.gz YPLUTGFNIFUOEZ-FPQGOQEYSA-N -1 3 391.240 3.908 20 30 GHEDHM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3nccc4ccccc43)c2)o1 ZINC000483190780 859216172 /nfs/dbraw/zinc/21/61/72/859216172.db2.gz DTMRWWZPHGBCMC-SFHVURJKSA-N -1 3 384.395 3.921 20 30 GHEDHM Cc1c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nnn1-c1ccc(C)cc1 ZINC000764306463 859371011 /nfs/dbraw/zinc/37/10/11/859371011.db2.gz IOIIHTQMEBGNNQ-UHFFFAOYSA-N -1 3 396.794 3.570 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C(F)F)cc2)ccc1F ZINC000764518843 859481641 /nfs/dbraw/zinc/48/16/41/859481641.db2.gz CEZXQPASRFRVQB-UHFFFAOYSA-N -1 3 399.390 3.585 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2(c3cccc(F)c3)CC2)no1 ZINC000599174441 860879478 /nfs/dbraw/zinc/87/94/78/860879478.db2.gz ZLRZNDHAXJZYEW-UHFFFAOYSA-N -1 3 378.407 3.663 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000281554892 863245947 /nfs/dbraw/zinc/24/59/47/863245947.db2.gz KNGLYVORPANJKH-UHFFFAOYSA-N -1 3 386.883 3.562 20 30 GHEDHM C=CC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccncc1 ZINC000734456021 864239760 /nfs/dbraw/zinc/23/97/60/864239760.db2.gz RBAIWLOVWSHUHF-OAHLLOKOSA-N -1 3 398.260 3.733 20 30 GHEDHM C#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)ccc1C ZINC000301748915 865521785 /nfs/dbraw/zinc/52/17/85/865521785.db2.gz LGLCLEQGVRAZSS-UHFFFAOYSA-N -1 3 384.501 3.501 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)CCc2ccc(Br)cc2)c1[O-] ZINC000920174372 881882779 /nfs/dbraw/zinc/88/27/79/881882779.db2.gz ZZTUHNSZNAFTFR-XGTDKWECSA-N -1 3 377.282 3.791 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2CC(C)C)ccc1F ZINC000740798356 866013010 /nfs/dbraw/zinc/01/30/10/866013010.db2.gz VYZVXTSFTBOIBO-KRWDZBQOSA-N -1 3 396.528 3.721 20 30 GHEDHM CC1(C)CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)[C@H]1C#N ZINC000444401648 866066664 /nfs/dbraw/zinc/06/66/64/866066664.db2.gz AEPWKSIWZNECNP-AWEZNQCLSA-N -1 3 393.365 3.581 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc2ccccc2n1 ZINC000741458884 866529067 /nfs/dbraw/zinc/52/90/67/866529067.db2.gz YMSOVLQLJXJPEA-SFHVURJKSA-N -1 3 389.440 3.510 20 30 GHEDHM C[C@@]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)(C1CC1)C(F)(F)F ZINC000479148788 867241054 /nfs/dbraw/zinc/24/10/54/867241054.db2.gz YPHOJXCOYFGKCE-LLVKDONJSA-N -1 3 379.297 3.854 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)cc1 ZINC000743259327 868029440 /nfs/dbraw/zinc/02/94/40/868029440.db2.gz XCAWSWODEMEIGT-UHFFFAOYSA-N -1 3 380.263 3.570 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1cccc(C(F)(F)F)c1 ZINC000539947857 870057807 /nfs/dbraw/zinc/05/78/07/870057807.db2.gz ZHBWLFLLSAXXAU-HNNXBMFYSA-N -1 3 391.374 3.797 20 30 GHEDHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Br)c1 ZINC001192763670 870648105 /nfs/dbraw/zinc/64/81/05/870648105.db2.gz POSCCPOFLIVGRV-UHFFFAOYSA-N -1 3 395.278 3.693 20 30 GHEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193161697 870927772 /nfs/dbraw/zinc/92/77/72/870927772.db2.gz CRXMPSSFXCBRHJ-NSHDSACASA-N -1 3 377.238 3.606 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N=Cc3ccc(O)c(O)c3O)cc2)cc1 ZINC000920943435 882465774 /nfs/dbraw/zinc/46/57/74/882465774.db2.gz JBGJZHLQCVEZTQ-UHFFFAOYSA-N -1 3 398.440 3.663 20 30 GHEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1ccc(OC(C)C)cc1 ZINC000122272099 882497537 /nfs/dbraw/zinc/49/75/37/882497537.db2.gz KIPROSZUSAFRLG-QGZVFWFLSA-N -1 3 375.432 3.502 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2F)c1 ZINC000775600579 871368290 /nfs/dbraw/zinc/36/82/90/871368290.db2.gz WOKPECJSXSFRJE-LJQANCHMSA-N -1 3 385.395 3.856 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2F)c1 ZINC000775600579 871368307 /nfs/dbraw/zinc/36/83/07/871368307.db2.gz WOKPECJSXSFRJE-LJQANCHMSA-N -1 3 385.395 3.856 20 30 GHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)c(C)c1C ZINC001194864886 871996603 /nfs/dbraw/zinc/99/66/03/871996603.db2.gz UCQSUCQQDTWTSZ-UHFFFAOYSA-N -1 3 387.486 3.903 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182354469 872241639 /nfs/dbraw/zinc/24/16/39/872241639.db2.gz HQRKQIAEASMLTP-QHCPKHFHSA-N -1 3 398.462 3.898 20 30 GHEDHM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3cccc4ccccc43)nn2)c1 ZINC000102119847 872576687 /nfs/dbraw/zinc/57/66/87/872576687.db2.gz RMRMARINXUSECZ-IBGZPJMESA-N -1 3 395.422 3.690 20 30 GHEDHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000448095592 872839484 /nfs/dbraw/zinc/83/94/84/872839484.db2.gz ANSKVFTVPCGIAO-UHFFFAOYSA-N -1 3 381.775 3.906 20 30 GHEDHM COc1ccc(NN=Cc2cc(Br)c([O-])c(OC)c2)c([N+](=O)[O-])c1 ZINC000767801166 872860998 /nfs/dbraw/zinc/86/09/98/872860998.db2.gz GVPWFTBIXVRGIB-UHFFFAOYSA-N -1 3 396.197 3.526 20 30 GHEDHM CCc1cccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1[O-] ZINC000527480342 873178908 /nfs/dbraw/zinc/17/89/08/873178908.db2.gz OHIMYKMWFRNWTI-IBGZPJMESA-N -1 3 383.879 3.631 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1Br ZINC001197311638 873699261 /nfs/dbraw/zinc/69/92/61/873699261.db2.gz FDVXAGGSGVCQOX-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM COc1cccc(CS(=O)(=O)[N-]c2ccccc2-c2ccc(C#N)cn2)c1 ZINC001197389766 873760034 /nfs/dbraw/zinc/76/00/34/873760034.db2.gz IDWTYFDTNYCDRM-UHFFFAOYSA-N -1 3 379.441 3.571 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(OCCCC(F)(F)F)cc1 ZINC001197878053 874086652 /nfs/dbraw/zinc/08/66/52/874086652.db2.gz BRSAEHHSRNEJIV-UHFFFAOYSA-N -1 3 381.354 3.847 20 30 GHEDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000858080010 882824075 /nfs/dbraw/zinc/82/40/75/882824075.db2.gz BQBHULACYRZDQD-SSDOTTSWSA-N -1 3 398.271 3.927 20 30 GHEDHM N#CC(=C([O-])c1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2s1 ZINC000770098850 874457383 /nfs/dbraw/zinc/45/73/83/874457383.db2.gz UBZDFXACUNFKEG-CQSZACIVSA-N -1 3 381.432 3.762 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)c(F)cc2F)cc1C#N ZINC001201317426 875628489 /nfs/dbraw/zinc/62/84/89/875628489.db2.gz SECZISREFWZZBW-UHFFFAOYSA-N -1 3 392.305 3.844 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC(C)(C)C)ccc2F)cc1C#N ZINC001201322278 875632235 /nfs/dbraw/zinc/63/22/35/875632235.db2.gz HOTINWBBYSIFGA-UHFFFAOYSA-N -1 3 390.436 3.762 20 30 GHEDHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(C(F)(F)F)cc1C#N ZINC001201699831 875826167 /nfs/dbraw/zinc/82/61/67/875826167.db2.gz YTKFRFOWJIIEAE-UHFFFAOYSA-N -1 3 394.378 3.938 20 30 GHEDHM COC(=O)N=C([S-])N(c1ccccc1N)c1ccc(C(F)(F)F)cc1C#N ZINC001201699831 875826173 /nfs/dbraw/zinc/82/61/73/875826173.db2.gz YTKFRFOWJIIEAE-UHFFFAOYSA-N -1 3 394.378 3.938 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2ncccc2OCc2ccccc2)CCCCCC1 ZINC001201897799 875912567 /nfs/dbraw/zinc/91/25/67/875912567.db2.gz FEHCCXGHQLARAZ-UHFFFAOYSA-N -1 3 385.489 3.555 20 30 GHEDHM CCOC(=O)C(=Cc1ccc(C#N)s1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000176403252 876098896 /nfs/dbraw/zinc/09/88/96/876098896.db2.gz KFDIHQFAZXLDEF-QPEQYQDCSA-N -1 3 385.470 3.638 20 30 GHEDHM COc1ccc(-c2nc(COC(=O)c3cc([O-])cc(C#N)c3)cs2)cc1OC ZINC000776274691 876137921 /nfs/dbraw/zinc/13/79/21/876137921.db2.gz ODAWAWUFRLNWMS-UHFFFAOYSA-N -1 3 396.424 3.762 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nc2ccccc2s1 ZINC000772687567 876930092 /nfs/dbraw/zinc/93/00/92/876930092.db2.gz OOKXYYLAQOOONA-JTQLQIEISA-N -1 3 377.878 3.861 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C3CCCCC3)n2)c1 ZINC000776516179 877409210 /nfs/dbraw/zinc/40/92/10/877409210.db2.gz KJIMQVNJZRIYEN-SFHVURJKSA-N -1 3 380.448 3.667 20 30 GHEDHM C[C@H](CC(C)(C)C#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000851204612 877512863 /nfs/dbraw/zinc/51/28/63/877512863.db2.gz SIAXIRSIFHKMGC-SNVBAGLBSA-N -1 3 392.399 3.562 20 30 GHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000617042002 879361721 /nfs/dbraw/zinc/36/17/21/879361721.db2.gz LYDJTHNCNHULHY-KDOFPFPSSA-N -1 3 383.448 3.806 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(COCc3ccccc3)c2)c1[O-] ZINC000915271511 886193884 /nfs/dbraw/zinc/19/38/84/886193884.db2.gz YRUBBCIHVHBZMI-CFRMEGHHSA-N -1 3 376.456 3.924 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c(Cl)c1 ZINC000169253485 886750726 /nfs/dbraw/zinc/75/07/26/886750726.db2.gz PLSFNBCVZXLGPP-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM O=C(CCc1nc(-c2ccccn2)no1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235584 913093223 /nfs/dbraw/zinc/09/32/23/913093223.db2.gz LMRRQXRCHZMLGG-UHFFFAOYSA-N -1 3 393.230 3.789 20 30 GHEDHM COCCC[C@H](C/N=C/c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000794682458 887754623 /nfs/dbraw/zinc/75/46/23/887754623.db2.gz VNQKSWFREDRCTL-LTNVFZTJSA-N -1 3 376.884 3.871 20 30 GHEDHM CC(=NNc1cccc2ncccc21)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000915964511 888604448 /nfs/dbraw/zinc/60/44/48/888604448.db2.gz BBWAIKAWAIFTSV-UHFFFAOYSA-N -1 3 376.460 3.609 20 30 GHEDHM C#C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccc(F)cc1 ZINC000794896814 888765417 /nfs/dbraw/zinc/76/54/17/888765417.db2.gz TYSUGDCIVQQQGT-OAHLLOKOSA-N -1 3 399.219 3.534 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000811188793 889274702 /nfs/dbraw/zinc/27/47/02/889274702.db2.gz XXRVXZIENQCHJY-VIFPVBQESA-N -1 3 379.199 3.755 20 30 GHEDHM COc1ccc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)cc1O ZINC000811699611 889904994 /nfs/dbraw/zinc/90/49/94/889904994.db2.gz WTBQCTPDBLPJFG-HWKANZROSA-N -1 3 379.206 3.774 20 30 GHEDHM N#CC1(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCCCC1 ZINC000871315092 890748111 /nfs/dbraw/zinc/74/81/11/890748111.db2.gz WEYGXZRYYHLESU-AWEZNQCLSA-N -1 3 393.409 3.659 20 30 GHEDHM CCC[C@@H](CCc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000130282963 890815277 /nfs/dbraw/zinc/81/52/77/890815277.db2.gz NVHUJKZQSXKUAN-IBGZPJMESA-N -1 3 379.504 3.714 20 30 GHEDHM O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)cs1 ZINC000917542786 892143778 /nfs/dbraw/zinc/14/37/78/892143778.db2.gz RAEXAGSFZFENQY-UHFFFAOYSA-N -1 3 377.476 3.711 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(Br)cc(N(C)C)c3)nc1-2 ZINC000497935146 892772644 /nfs/dbraw/zinc/77/26/44/892772644.db2.gz DOJQEQPKRZEDHM-CQSZACIVSA-N -1 3 398.264 3.585 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000536761833 893708532 /nfs/dbraw/zinc/70/85/32/893708532.db2.gz XEZJGXZIVFEGNK-HNNXBMFYSA-N -1 3 390.333 3.668 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cn1 ZINC000815909239 894285210 /nfs/dbraw/zinc/28/52/10/894285210.db2.gz VLEYQXMKGMPPMY-HNNXBMFYSA-N -1 3 381.432 3.619 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3Cl)n2)c1 ZINC000127653901 894984053 /nfs/dbraw/zinc/98/40/53/894984053.db2.gz DCPRJCBJHZRSJO-OAHLLOKOSA-N -1 3 378.819 3.795 20 30 GHEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])Nc1cccc2cccnc21 ZINC000131195958 897354960 /nfs/dbraw/zinc/35/49/60/897354960.db2.gz RRZSAHPIOALOSO-KEBDBYFISA-N -1 3 384.233 3.761 20 30 GHEDHM N#C[C@H]1CC[C@H](NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])CC1 ZINC001185937988 914181258 /nfs/dbraw/zinc/18/12/58/914181258.db2.gz YYXOBXCQFUSEJS-IYARVYRRSA-N -1 3 385.508 3.661 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(C2CCCCC2)n1 ZINC000826359584 898101569 /nfs/dbraw/zinc/10/15/69/898101569.db2.gz LGOFGTQQBATDFJ-NTMALXAHSA-N -1 3 380.427 3.683 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(C2CCCCC2)n1 ZINC000826359584 898101574 /nfs/dbraw/zinc/10/15/74/898101574.db2.gz LGOFGTQQBATDFJ-NTMALXAHSA-N -1 3 380.427 3.683 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823899417 899291788 /nfs/dbraw/zinc/29/17/88/899291788.db2.gz VRTIHEVOLJSYRT-UHFFFAOYSA-N -1 3 389.525 3.899 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823899417 899291808 /nfs/dbraw/zinc/29/18/08/899291808.db2.gz VRTIHEVOLJSYRT-UHFFFAOYSA-N -1 3 389.525 3.899 20 30 GHEDHM C#CCC1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CCC1 ZINC000886795775 901277343 /nfs/dbraw/zinc/27/73/43/901277343.db2.gz DDCNMDSFAPFSKM-UHFFFAOYSA-N -1 3 393.668 3.620 20 30 GHEDHM CCCCCCCCCS(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1 ZINC000844826923 901348210 /nfs/dbraw/zinc/34/82/10/901348210.db2.gz YMGJUKWJHJJHLH-UHFFFAOYSA-N -1 3 375.498 3.631 20 30 GHEDHM CC(C)C[C@](C)(C#N)[N-]C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001186431123 914553602 /nfs/dbraw/zinc/55/36/02/914553602.db2.gz RBRCLJLHJZMXPJ-GOSISDBHSA-N -1 3 387.471 3.713 20 30 GHEDHM Cc1ccc(C)c([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000122767040 901844220 /nfs/dbraw/zinc/84/42/20/901844220.db2.gz FDUDUGVLIDGEBN-OAQYLSRUSA-N -1 3 377.488 3.777 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])COc1cccc(Br)c1 ZINC000845837578 902448620 /nfs/dbraw/zinc/44/86/20/902448620.db2.gz QKDWWNDKEYFUKE-KRWDZBQOSA-N -1 3 398.256 3.838 20 30 GHEDHM C[C@@H]1CCC[C@](C#N)([N-]C(=O)C(F)(F)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000773977042 911185173 /nfs/dbraw/zinc/18/51/73/911185173.db2.gz WTLIBVZSGOIFQB-KUHUBIRLSA-N -1 3 399.482 3.857 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(C)(C)Cc2ccccc2)c(C)c1[O-] ZINC001182606219 911921096 /nfs/dbraw/zinc/92/10/96/911921096.db2.gz VWMICVVNXLVUMU-UHFFFAOYSA-N -1 3 380.444 3.956 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(OC(F)F)c(F)c1 ZINC000291745966 915345729 /nfs/dbraw/zinc/34/57/29/915345729.db2.gz NLGFQAGLTSTQED-UHFFFAOYSA-N -1 3 394.349 3.692 20 30 GHEDHM CCc1ccc([C@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 ZINC000293439532 916206219 /nfs/dbraw/zinc/20/62/19/916206219.db2.gz TWHTVRDUSPOQMX-IBGZPJMESA-N -1 3 377.488 3.787 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c(F)c1 ZINC001189036866 916359289 /nfs/dbraw/zinc/35/92/89/916359289.db2.gz OJJTVWFJWFZQAL-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCCCCCCCCO ZINC000294759716 916963345 /nfs/dbraw/zinc/96/33/45/916963345.db2.gz WYNANAMPMFLWHY-UHFFFAOYSA-N -1 3 389.540 3.828 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000295450385 917316580 /nfs/dbraw/zinc/31/65/80/917316580.db2.gz GHGKLZDNUFBHCY-IBGZPJMESA-N -1 3 385.414 3.680 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(C(F)(F)F)ccc2Cl)c1 ZINC001190660763 917451484 /nfs/dbraw/zinc/45/14/84/917451484.db2.gz AQHXWYSLVSDVIC-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000113140769 919356944 /nfs/dbraw/zinc/35/69/44/919356944.db2.gz LMDLATYOZMAFNF-HNNXBMFYSA-N -1 3 394.475 3.875 20 30 GHEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000115646950 919464030 /nfs/dbraw/zinc/46/40/30/919464030.db2.gz NQYIPKXXTCQZRY-JAIQZWGSSA-N -1 3 391.427 3.707 20 30 GHEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000115646950 919464038 /nfs/dbraw/zinc/46/40/38/919464038.db2.gz NQYIPKXXTCQZRY-JAIQZWGSSA-N -1 3 391.427 3.707 20 30 GHEDHM O=C([C@@H]1CN(Cc2ccccc2)CCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096694 919839425 /nfs/dbraw/zinc/83/94/25/919839425.db2.gz MMXPYVMVGVOLAK-SFHVURJKSA-N -1 3 395.286 3.612 20 30 GHEDHM O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N([O-])Cc1ccc(F)cc1 ZINC000901374522 921050354 /nfs/dbraw/zinc/05/03/54/921050354.db2.gz LWPRGTZUCANIEJ-AWEZNQCLSA-N -1 3 397.233 3.903 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000802950843 922551483 /nfs/dbraw/zinc/55/14/83/922551483.db2.gz XRSKTTBPSTWIQH-UXHICEINSA-N -1 3 394.471 3.998 20 30 GHEDHM C=C(C)CCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl 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382.445 3.967 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(Cl)cc3)n2)c1 ZINC000757409204 929708245 /nfs/dbraw/zinc/70/82/45/929708245.db2.gz LEHOYDZPYYILLH-KRWDZBQOSA-N -1 3 378.819 3.795 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000798668913 932730680 /nfs/dbraw/zinc/73/06/80/932730680.db2.gz IFDFQABDYZUVIM-GFCCVEGCSA-N -1 3 393.365 3.927 20 30 GHEDHM CCCCCCCS(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000799769647 933112174 /nfs/dbraw/zinc/11/21/74/933112174.db2.gz XDVCYJKJKXQWEF-MRXNPFEDSA-N -1 3 380.514 3.719 20 30 GHEDHM COC(=O)COc1ccc(/C=C2/C(=O)c3c(c(C)ccc3[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC001116737474 933727984 /nfs/dbraw/zinc/72/79/84/933727984.db2.gz VEOFNUAKWVKYNG-ACLQVGRQSA-N -1 3 397.383 3.544 20 30 GHEDHM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3nccn3C)c12 ZINC001122608539 934918616 /nfs/dbraw/zinc/91/86/16/934918616.db2.gz CRZMSXFAYMQQOL-HNNXBMFYSA-N -1 3 376.464 3.596 20 30 GHEDHM N#CC(=C([O-])c1cccc(C(=O)N2CCCCC2)c1)c1cnc2ccccc2n1 ZINC001122897756 935022104 /nfs/dbraw/zinc/02/21/04/935022104.db2.gz LBPBZJATIUSNAZ-SFHVURJKSA-N -1 3 384.439 3.746 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](COC)C3)n2CC2CC2)c1[O-] ZINC001123618271 935238579 /nfs/dbraw/zinc/23/85/79/935238579.db2.gz MDKNJULEQXWXJP-QGZVFWFLSA-N -1 3 382.508 3.652 20 30 GHEDHM C#CCN(C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC001573282917 946702132 /nfs/dbraw/zinc/70/21/32/946702132.db2.gz NQOOSFITDLWOJP-FQEVSTJZSA-N -1 3 386.459 3.720 20 30 GHEDHM C#CCN(C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC001573282917 946702136 /nfs/dbraw/zinc/70/21/36/946702136.db2.gz NQOOSFITDLWOJP-FQEVSTJZSA-N -1 3 386.459 3.720 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001574470863 949518887 /nfs/dbraw/zinc/51/88/87/949518887.db2.gz HXVXGCMOJXCMDJ-JTQLQIEISA-N -1 3 399.867 3.562 20 30 GHEDHM N#Cc1ccc(NC(=O)Nc2ccc([O-])c(I)c2)cc1 ZINC001184754050 1014969679 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GHEDHM N#Cc1cccnc1N1CCC(Oc2c([O-])cc(Br)cc2F)CC1 ZINC001227591446 1032476743 /nfs/dbraw/zinc/47/67/43/1032476743.db2.gz UUMMBFLLGXQZFJ-UHFFFAOYSA-N -1 3 392.228 3.608 20 30 GHEDHM Cc1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc(-c2ccccn2)n1 ZINC001155914291 1032792100 /nfs/dbraw/zinc/79/21/00/1032792100.db2.gz LQNOUWVZSJFNRZ-UHFFFAOYSA-N -1 3 389.337 3.994 20 30 GHEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001228133969 1032802751 /nfs/dbraw/zinc/80/27/51/1032802751.db2.gz KSYUDEJFMQJPKH-KSSFIOAISA-N -1 3 388.464 3.685 20 30 GHEDHM C=CCN(C(=O)c1cc([O-])ccc1Cl)[C@H](Cc1ccccc1)C(=O)OCC ZINC001138239324 1024442835 /nfs/dbraw/zinc/44/28/35/1024442835.db2.gz XYRBWARTIPCQPB-LJQANCHMSA-N -1 3 387.863 3.848 20 30 GHEDHM C=CCN1C(=O)C2(CCOCC2)c2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213379161 1028151015 /nfs/dbraw/zinc/15/10/15/1028151015.db2.gz BMUAWUOPGQGFLJ-UHFFFAOYSA-N -1 3 386.398 3.995 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1c2ccccc2nnc1-c1ccccc1 ZINC001152792473 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COc1cc(/C=N/[O-])ccc1OC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001233801984 1039626775 /nfs/dbraw/zinc/62/67/75/1039626775.db2.gz FNVAXCTVMHETJC-CIAFOILYSA-N -1 3 389.383 3.598 20 30 GHEDHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H](C#N)c1ccccc1 ZINC001234608054 1040165391 /nfs/dbraw/zinc/16/53/91/1040165391.db2.gz IAZQMWOVBXJKDE-AWEZNQCLSA-N -1 3 376.206 3.975 20 30 GHEDHM COc1cc(OC2CC(C#N)C2)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234784215 1040316652 /nfs/dbraw/zinc/31/66/52/1040316652.db2.gz OQFQYPXZLRCLAH-UHFFFAOYSA-N -1 3 393.395 3.864 20 30 GHEDHM CCOc1cc(CN2CCN(c3ccc(F)cc3C#N)CC2)cc(Cl)c1[O-] ZINC001462515720 1070320265 /nfs/dbraw/zinc/32/02/65/1070320265.db2.gz KQYALQHYCJDZOE-UHFFFAOYSA-N -1 3 389.858 3.777 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(F)cc1Br ZINC001258190991 1044462784 /nfs/dbraw/zinc/46/27/84/1044462784.db2.gz RZGKCPXYBLGBKS-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC001258917360 1044873647 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IWKINCGZXRJRQM-LSDHHAIUSA-N -1 3 397.504 3.594 20 30 GHEDHM C=CCOc1ccc(Br)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001451176462 1060747038 /nfs/dbraw/zinc/74/70/38/1060747038.db2.gz IWZXESJPTGNJEB-UHFFFAOYSA-N -1 3 391.200 3.677 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001341741220 1060853846 /nfs/dbraw/zinc/85/38/46/1060853846.db2.gz ZWKISHISDRFKSP-GOSISDBHSA-N -1 3 390.491 3.628 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](COCC)C1 ZINC001341951209 1060965438 /nfs/dbraw/zinc/96/54/38/1060965438.db2.gz JIYNKFZJTUYOFT-AWEZNQCLSA-N -1 3 399.520 3.699 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC4CC3(C)C4)n2C[C@@H]2CCOC2)c1[O-] ZINC001346569832 1061689529 /nfs/dbraw/zinc/68/95/29/1061689529.db2.gz NARCZSHYPRAOCC-RJNZEALMSA-N -1 3 394.519 3.795 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCC3)n2Cc2cc(C)on2)c1[O-] ZINC001346633029 1061746876 /nfs/dbraw/zinc/74/68/76/1061746876.db2.gz BAAHEOMHUSWBLS-UHFFFAOYSA-N -1 3 379.464 3.714 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N([O-])Cc1ccccc1Cl ZINC001457993896 1063493967 /nfs/dbraw/zinc/49/39/67/1063493967.db2.gz NSNKFOMSVQUANU-GFCCVEGCSA-N -1 3 397.233 3.903 20 30 GHEDHM O=C(CCN1C(=S)N=NC1c1cccs1)N([O-])Cc1ccccc1Cl ZINC001458002082 1063499824 /nfs/dbraw/zinc/49/98/24/1063499824.db2.gz KNIKNJBQJCMEJJ-UHFFFAOYSA-N -1 3 394.909 3.757 20 30 GHEDHM Cc1ccc(S(=O)(=O)C2(C(=O)N([O-])Cc3ccc(F)cc3)CCCC2)cc1 ZINC001458019689 1063508482 /nfs/dbraw/zinc/50/84/82/1063508482.db2.gz YEIBHKGEPXYRTA-UHFFFAOYSA-N -1 3 391.464 3.639 20 30 GHEDHM O=C(c1ccccc1S(=O)(=O)C(F)F)N([O-])Cc1cccc2ccccc21 ZINC001458017783 1063509104 /nfs/dbraw/zinc/50/91/04/1063509104.db2.gz RRVHFSLBVSRUMS-UHFFFAOYSA-N -1 3 391.395 3.868 20 30 GHEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1cccc(Cl)c1 ZINC001463821185 1064648799 /nfs/dbraw/zinc/64/87/99/1064648799.db2.gz GCNMGNYCBSFCTR-AWEZNQCLSA-N -1 3 385.272 3.531 20 30 GHEDHM C=C(C)CO[N-]C(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC001300220206 1065740076 /nfs/dbraw/zinc/74/00/76/1065740076.db2.gz OUNGMELMNZEBLF-CYBMUJFWSA-N -1 3 387.261 3.874 20 30 GHEDHM O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001472618769 1073579597 /nfs/dbraw/zinc/57/95/97/1073579597.db2.gz HPYGMYYLMWTJMF-INIZCTEOSA-N -1 3 390.842 3.749 20 30 GHEDHM CCC1(c2ccc(Cl)cc2)CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1 ZINC001473446565 1073966581 /nfs/dbraw/zinc/96/65/81/1073966581.db2.gz NXAUFQFBISBTEM-UHFFFAOYSA-N -1 3 395.894 3.904 20 30 GHEDHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000737279868 598914990 /nfs/dbraw/zinc/91/49/90/598914990.db2.gz SKWKQIFAFNBRQX-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000737279868 598914992 /nfs/dbraw/zinc/91/49/92/598914992.db2.gz SKWKQIFAFNBRQX-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737214376 598916863 /nfs/dbraw/zinc/91/68/63/598916863.db2.gz JHAYYYXVIXGKIX-UHFFFAOYSA-N -1 3 378.779 3.699 20 30 GHEDHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737214376 598916865 /nfs/dbraw/zinc/91/68/65/598916865.db2.gz JHAYYYXVIXGKIX-UHFFFAOYSA-N -1 3 378.779 3.699 20 30 GHEDHM Cc1ccc(-c2n[nH]cc2C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000822214208 599113555 /nfs/dbraw/zinc/11/35/55/599113555.db2.gz ULYYVKNLSHHGFN-LFIBNONCSA-N -1 3 382.427 3.778 20 30 GHEDHM Cc1ccc(-c2n[nH]cc2C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000822214208 599113558 /nfs/dbraw/zinc/11/35/58/599113558.db2.gz ULYYVKNLSHHGFN-LFIBNONCSA-N -1 3 382.427 3.778 20 30 GHEDHM CCc1ccc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000736684374 599157222 /nfs/dbraw/zinc/15/72/22/599157222.db2.gz YBCFCOSJDOWQLQ-ZHACJKMWSA-N -1 3 390.472 3.881 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccnc2ccccc12 ZINC000735418955 599248089 /nfs/dbraw/zinc/24/80/89/599248089.db2.gz MSZJEBRABVUFII-ZHACJKMWSA-N -1 3 396.454 3.643 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccnc2ccccc12 ZINC000735418955 599248090 /nfs/dbraw/zinc/24/80/90/599248090.db2.gz MSZJEBRABVUFII-ZHACJKMWSA-N -1 3 396.454 3.643 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735416388 598231312 /nfs/dbraw/zinc/23/13/12/598231312.db2.gz IDWWJRSPFCPQME-AWEZNQCLSA-N -1 3 379.420 3.579 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735416388 598231314 /nfs/dbraw/zinc/23/13/14/598231314.db2.gz IDWWJRSPFCPQME-AWEZNQCLSA-N -1 3 379.420 3.579 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000735420119 598405538 /nfs/dbraw/zinc/40/55/38/598405538.db2.gz MKXFSCRAPXIYNT-UHFFFAOYSA-N -1 3 392.850 3.830 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000735420119 598405539 /nfs/dbraw/zinc/40/55/39/598405539.db2.gz MKXFSCRAPXIYNT-UHFFFAOYSA-N -1 3 392.850 3.830 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000737675792 598591513 /nfs/dbraw/zinc/59/15/13/598591513.db2.gz SDKZYYHIINKYHY-QKIRZYONSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000737675792 598591515 /nfs/dbraw/zinc/59/15/15/598591515.db2.gz SDKZYYHIINKYHY-QKIRZYONSA-N -1 3 399.241 3.568 20 30 GHEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735758334 598667715 /nfs/dbraw/zinc/66/77/15/598667715.db2.gz ZRBXUZUEOVWBRG-NRFANRHFSA-N -1 3 390.447 3.717 20 30 GHEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735758334 598667717 /nfs/dbraw/zinc/66/77/17/598667717.db2.gz ZRBXUZUEOVWBRG-NRFANRHFSA-N -1 3 390.447 3.717 20 30 GHEDHM FC(F)(F)c1ccc2sc(NN=Cc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000822729197 599339829 /nfs/dbraw/zinc/33/98/29/599339829.db2.gz VQGGEAIAAYSGHU-UHFFFAOYSA-N -1 3 389.366 3.941 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)ccc1OC ZINC000736309437 599438313 /nfs/dbraw/zinc/43/83/13/599438313.db2.gz ODZSVKFVTPNCTM-CQSZACIVSA-N -1 3 398.854 3.822 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)ccc1OC ZINC000736309437 599438316 /nfs/dbraw/zinc/43/83/16/599438316.db2.gz ODZSVKFVTPNCTM-CQSZACIVSA-N -1 3 398.854 3.822 20 30 GHEDHM C=CCC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000819734804 607390329 /nfs/dbraw/zinc/39/03/29/607390329.db2.gz UINSWVLHJZCYOH-SFHVURJKSA-N -1 3 380.427 3.513 20 30 GHEDHM C=CCC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000819734804 607390331 /nfs/dbraw/zinc/39/03/31/607390331.db2.gz UINSWVLHJZCYOH-SFHVURJKSA-N -1 3 380.427 3.513 20 30 GHEDHM N#Cc1ccc([C@H](NCc2ccc(COCC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000739108914 600592913 /nfs/dbraw/zinc/59/29/13/600592913.db2.gz YCCKDQXBPDJIRE-KRWDZBQOSA-N -1 3 378.350 3.553 20 30 GHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000821703083 607457498 /nfs/dbraw/zinc/45/74/98/607457498.db2.gz NVKAJCGKAZFBNJ-GQCTYLIASA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1OC(F)F ZINC000821703083 607457500 /nfs/dbraw/zinc/45/75/00/607457500.db2.gz NVKAJCGKAZFBNJ-GQCTYLIASA-N -1 3 390.321 3.512 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504068 607458963 /nfs/dbraw/zinc/45/89/63/607458963.db2.gz LNUHQGLWOYZQCC-AJLUXNKNSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504068 607458964 /nfs/dbraw/zinc/45/89/64/607458964.db2.gz LNUHQGLWOYZQCC-AJLUXNKNSA-N -1 3 391.362 3.744 20 30 GHEDHM Cc1ccc(C(=O)C2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c(C)c1 ZINC000832910688 601311730 /nfs/dbraw/zinc/31/17/30/601311730.db2.gz AMABGLOZQANWNR-OAQYLSRUSA-N -1 3 376.456 3.896 20 30 GHEDHM C=CCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000823894026 607538729 /nfs/dbraw/zinc/53/87/29/607538729.db2.gz FGUVKTOMHDXNCU-CQSZACIVSA-N -1 3 390.369 3.651 20 30 GHEDHM C=CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000823894026 607538731 /nfs/dbraw/zinc/53/87/31/607538731.db2.gz FGUVKTOMHDXNCU-CQSZACIVSA-N -1 3 390.369 3.651 20 30 GHEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000739301512 602670295 /nfs/dbraw/zinc/67/02/95/602670295.db2.gz GBYLKPVEOWESRI-NXEZZACHSA-N -1 3 385.367 3.928 20 30 GHEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000739301515 602670337 /nfs/dbraw/zinc/67/03/37/602670337.db2.gz GBYLKPVEOWESRI-UWVGGRQHSA-N -1 3 385.367 3.928 20 30 GHEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000736360125 604373765 /nfs/dbraw/zinc/37/37/65/604373765.db2.gz OZXRZOWXTXJAOF-OCCSQVGLSA-N -1 3 377.853 3.932 20 30 GHEDHM N#Cc1cccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822836935 606457983 /nfs/dbraw/zinc/45/79/83/606457983.db2.gz BBSHTMIMTUNOAC-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822836935 606457985 /nfs/dbraw/zinc/45/79/85/606457985.db2.gz BBSHTMIMTUNOAC-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM Cc1c(Cl)cccc1N=C1NN=C(c2ccc(-c3nnn[n-]3)cc2)CS1 ZINC000822034514 606631699 /nfs/dbraw/zinc/63/16/99/606631699.db2.gz FNNWZOXFLZXTOC-UHFFFAOYSA-N -1 3 383.868 3.557 20 30 GHEDHM Cc1c(Cl)cccc1N=C1NN=C(c2ccc(-c3nn[n-]n3)cc2)CS1 ZINC000822034514 606631701 /nfs/dbraw/zinc/63/17/01/606631701.db2.gz FNNWZOXFLZXTOC-UHFFFAOYSA-N -1 3 383.868 3.557 20 30 GHEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819898696 606640776 /nfs/dbraw/zinc/64/07/76/606640776.db2.gz IGAINYFPMITIDR-KRWDZBQOSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819898696 606640777 /nfs/dbraw/zinc/64/07/77/606640777.db2.gz IGAINYFPMITIDR-KRWDZBQOSA-N -1 3 392.488 3.686 20 30 GHEDHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513224 606867541 /nfs/dbraw/zinc/86/75/41/606867541.db2.gz XTZDZQCBENGZEZ-JTQLQIEISA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513224 606867542 /nfs/dbraw/zinc/86/75/42/606867542.db2.gz XTZDZQCBENGZEZ-JTQLQIEISA-N -1 3 387.321 3.675 20 30 GHEDHM Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000822766468 606966703 /nfs/dbraw/zinc/96/67/03/606966703.db2.gz KANFYBYMSRTHQA-AOOOYVTPSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000822766468 606966705 /nfs/dbraw/zinc/96/67/05/606966705.db2.gz KANFYBYMSRTHQA-AOOOYVTPSA-N -1 3 397.298 3.569 20 30 GHEDHM C=C(C)[C@@H](CC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)OCC ZINC000823874006 607903474 /nfs/dbraw/zinc/90/34/74/607903474.db2.gz QXRBJUUFUZPCCR-MRXNPFEDSA-N -1 3 397.504 3.583 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)OCC ZINC000823874765 607923920 /nfs/dbraw/zinc/92/39/20/607923920.db2.gz YQRGPDUGOFXXMD-CQSZACIVSA-N -1 3 389.525 3.897 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)OCC ZINC000823874765 607923921 /nfs/dbraw/zinc/92/39/21/607923921.db2.gz YQRGPDUGOFXXMD-CQSZACIVSA-N -1 3 389.525 3.897 20 30 GHEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)Cc2c1c(Br)ccc2F ZINC000826477198 607983140 /nfs/dbraw/zinc/98/31/40/607983140.db2.gz XSBUJXRPSJAZSH-YFHOEESVSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)Cc2c1c(Br)ccc2F ZINC000826477198 607983141 /nfs/dbraw/zinc/98/31/41/607983141.db2.gz XSBUJXRPSJAZSH-YFHOEESVSA-N -1 3 385.196 3.591 20 30 GHEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824385242 608061735 /nfs/dbraw/zinc/06/17/35/608061735.db2.gz PACDXNDVTLUWEE-GFCCVEGCSA-N -1 3 396.838 3.687 20 30 GHEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824385242 608061736 /nfs/dbraw/zinc/06/17/36/608061736.db2.gz PACDXNDVTLUWEE-GFCCVEGCSA-N -1 3 396.838 3.687 20 30 GHEDHM C[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824926060 608141673 /nfs/dbraw/zinc/14/16/73/608141673.db2.gz INXAPCLHMDFTLF-DFBGVHRSSA-N -1 3 378.461 3.603 20 30 GHEDHM C[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824926060 608141674 /nfs/dbraw/zinc/14/16/74/608141674.db2.gz INXAPCLHMDFTLF-DFBGVHRSSA-N -1 3 378.461 3.603 20 30 GHEDHM C=CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000823937373 608271630 /nfs/dbraw/zinc/27/16/30/608271630.db2.gz UYLDNTDERSRCJR-UHFFFAOYSA-N -1 3 375.461 3.604 20 30 GHEDHM C=CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000823937373 608271632 /nfs/dbraw/zinc/27/16/32/608271632.db2.gz UYLDNTDERSRCJR-UHFFFAOYSA-N -1 3 375.461 3.604 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC000823937347 608271919 /nfs/dbraw/zinc/27/19/19/608271919.db2.gz SWJUPQXXBOVBKP-UHFFFAOYSA-N -1 3 375.461 3.604 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC000823937347 608271920 /nfs/dbraw/zinc/27/19/20/608271920.db2.gz SWJUPQXXBOVBKP-UHFFFAOYSA-N -1 3 375.461 3.604 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000823910019 608341842 /nfs/dbraw/zinc/34/18/42/608341842.db2.gz WFASYUOFUXCYEA-ZDUSSCGKSA-N -1 3 398.417 3.604 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000823910019 608341844 /nfs/dbraw/zinc/34/18/44/608341844.db2.gz WFASYUOFUXCYEA-ZDUSSCGKSA-N -1 3 398.417 3.604 20 30 GHEDHM N#Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c2ccccc2n1 ZINC000826384547 608442720 /nfs/dbraw/zinc/44/27/20/608442720.db2.gz ZRPAFCGXMWESEY-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c2ccccc2n1 ZINC000826384547 608442721 /nfs/dbraw/zinc/44/27/21/608442721.db2.gz ZRPAFCGXMWESEY-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM CC(Cc1nc2ccccc2s1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824465792 608538789 /nfs/dbraw/zinc/53/87/89/608538789.db2.gz SSLCGAWAYHAVBK-UHFFFAOYSA-N -1 3 384.856 3.555 20 30 GHEDHM CC(Cc1nc2ccccc2s1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824465792 608538791 /nfs/dbraw/zinc/53/87/91/608538791.db2.gz SSLCGAWAYHAVBK-UHFFFAOYSA-N -1 3 384.856 3.555 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(Br)cc1 ZINC000823953825 608541623 /nfs/dbraw/zinc/54/16/23/608541623.db2.gz ROOZMTPCIVDTQM-UHFFFAOYSA-N -1 3 392.648 3.514 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(Br)cc1 ZINC000823953825 608541625 /nfs/dbraw/zinc/54/16/25/608541625.db2.gz ROOZMTPCIVDTQM-UHFFFAOYSA-N -1 3 392.648 3.514 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000826401431 608881652 /nfs/dbraw/zinc/88/16/52/608881652.db2.gz YJPJETDKXKBPIA-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000826401431 608881656 /nfs/dbraw/zinc/88/16/56/608881656.db2.gz YJPJETDKXKBPIA-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400311 609272337 /nfs/dbraw/zinc/27/23/37/609272337.db2.gz VIXPHNOPCCMTKQ-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400311 609272338 /nfs/dbraw/zinc/27/23/38/609272338.db2.gz VIXPHNOPCCMTKQ-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM Cn1cc(C=CC(=O)c2coc3ccccc23)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359661 609309547 /nfs/dbraw/zinc/30/95/47/609309547.db2.gz NGQHYQJVRUQQSD-KHPPLWFESA-N -1 3 396.410 3.910 20 30 GHEDHM Cn1cc(C=CC(=O)c2coc3ccccc23)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359661 609309549 /nfs/dbraw/zinc/30/95/49/609309549.db2.gz NGQHYQJVRUQQSD-KHPPLWFESA-N -1 3 396.410 3.910 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCC(C)(C)C#N)cc1 ZINC000826255014 609356556 /nfs/dbraw/zinc/35/65/56/609356556.db2.gz ISPAJRKEJZJGRA-UHFFFAOYSA-N -1 3 377.404 3.674 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCC(C)(C)C#N)cc1 ZINC000826255014 609356559 /nfs/dbraw/zinc/35/65/59/609356559.db2.gz ISPAJRKEJZJGRA-UHFFFAOYSA-N -1 3 377.404 3.674 20 30 GHEDHM CC1(C)CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824796878 609400890 /nfs/dbraw/zinc/40/08/90/609400890.db2.gz TYCVXWGCJWQQNR-GJZGRUSLSA-N -1 3 392.488 3.993 20 30 GHEDHM CC1(C)CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824796878 609400891 /nfs/dbraw/zinc/40/08/91/609400891.db2.gz TYCVXWGCJWQQNR-GJZGRUSLSA-N -1 3 392.488 3.993 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(N(C)C)cc(C(F)(F)F)c3)nc1-2 ZINC000659108659 837569995 /nfs/dbraw/zinc/56/99/95/837569995.db2.gz QDXYYWILQGOVGX-CQSZACIVSA-N -1 3 387.365 3.841 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2S[C@H](C)[C@H]1C ZINC000176716892 837722797 /nfs/dbraw/zinc/72/27/97/837722797.db2.gz YJUSSFWDAHWSOR-HUUCEWRRSA-N -1 3 381.501 3.712 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2S[C@H](C)[C@@H]1C ZINC000176716864 837723203 /nfs/dbraw/zinc/72/32/03/837723203.db2.gz YJUSSFWDAHWSOR-LSDHHAIUSA-N -1 3 381.501 3.712 20 30 GHEDHM N#CCC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000151377643 835400186 /nfs/dbraw/zinc/40/01/86/835400186.db2.gz PIXHPOMPFSDKDA-MRXNPFEDSA-N -1 3 388.265 3.999 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429955314 844079751 /nfs/dbraw/zinc/07/97/51/844079751.db2.gz ZNSYOHGIRUVDHM-UHFFFAOYSA-N -1 3 385.265 3.739 20 30 GHEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000579877495 835848953 /nfs/dbraw/zinc/84/89/53/835848953.db2.gz MULWIXIUNKTNKQ-IINYFYTJSA-N -1 3 391.718 3.853 20 30 GHEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3occ4c3CCOC4)s2)cc1 ZINC000375606504 836513998 /nfs/dbraw/zinc/51/39/98/836513998.db2.gz OGFYBHHTDGBJEC-UHFFFAOYSA-N -1 3 398.469 3.620 20 30 GHEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000188060279 838500321 /nfs/dbraw/zinc/50/03/21/838500321.db2.gz UJHAQONCKGNPBH-UHFFFAOYSA-N -1 3 377.199 3.622 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNCc2ncc(Br)cc2[O-])c1 ZINC000892973908 839771705 /nfs/dbraw/zinc/77/17/05/839771705.db2.gz YIKJQMTYRONQAF-AWEZNQCLSA-N -1 3 376.254 3.520 20 30 GHEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCc2cccnc21 ZINC000548148546 840511084 /nfs/dbraw/zinc/51/10/84/840511084.db2.gz GSTCHBGNZOHHDN-FQEVSTJZSA-N -1 3 392.503 3.920 20 30 GHEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000126464112 841100260 /nfs/dbraw/zinc/10/02/60/841100260.db2.gz HFTODKJHVHRPHG-UHFFFAOYSA-N -1 3 392.305 3.665 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(F)c(F)c(F)c21 ZINC000891398239 841393145 /nfs/dbraw/zinc/39/31/45/841393145.db2.gz GGMAYDNAVWCSOV-UHFFFAOYSA-N -1 3 389.377 3.605 20 30 GHEDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2sc(CC)cc2C#N)cc1OC ZINC000126781543 842058586 /nfs/dbraw/zinc/05/85/86/842058586.db2.gz PHSCKQPXNCQQIT-UHFFFAOYSA-N -1 3 375.406 3.750 20 30 GHEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)c(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000511943004 842509642 /nfs/dbraw/zinc/50/96/42/842509642.db2.gz MVAAKCGUIKWYCV-GFCCVEGCSA-N -1 3 389.209 3.563 20 30 GHEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c([O-])c1 ZINC000066931925 842603517 /nfs/dbraw/zinc/60/35/17/842603517.db2.gz CHKPXXIEBXCMLO-HNNXBMFYSA-N -1 3 397.500 3.854 20 30 GHEDHM N#CCc1cccc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c1 ZINC000512327235 843382281 /nfs/dbraw/zinc/38/22/81/843382281.db2.gz XSDPNULMWNMUON-UHFFFAOYSA-N -1 3 399.223 3.719 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(OC)cc2Cl)C1=O ZINC000731050626 861419408 /nfs/dbraw/zinc/41/94/08/861419408.db2.gz OZBHHRGCHRZXTG-IBGZPJMESA-N -1 3 395.887 3.664 20 30 GHEDHM CC1(C)CN(C2(C/N=C/c3cc([N+](=O)[O-])ccc3[O-])CCCCC2)CCO1 ZINC000731155447 861490427 /nfs/dbraw/zinc/49/04/27/861490427.db2.gz HACCINHKUFASFL-FYJGNVAPSA-N -1 3 375.469 3.533 20 30 GHEDHM Cc1nc(C[N-]S(=O)(=O)c2cccc(C#N)c2)oc1-c1ccc(Cl)cc1 ZINC000126149284 844865378 /nfs/dbraw/zinc/86/53/78/844865378.db2.gz HZFYTVVZJJWDCA-UHFFFAOYSA-N -1 3 387.848 3.654 20 30 GHEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccco1 ZINC000127573367 847097117 /nfs/dbraw/zinc/09/71/17/847097117.db2.gz WFZKIXVUMVPTBX-HXUWFJFHSA-N -1 3 382.441 3.536 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)cc1 ZINC000158757800 848082154 /nfs/dbraw/zinc/08/21/54/848082154.db2.gz LLNQJGIGEXTYRW-QAPCUYQASA-N -1 3 381.480 3.799 20 30 GHEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000550110755 851635885 /nfs/dbraw/zinc/63/58/85/851635885.db2.gz QVEIHVUNONRDEC-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(C)cc2F)CCCC1 ZINC000329740814 862285152 /nfs/dbraw/zinc/28/51/52/862285152.db2.gz OFXONYWOTFDBSM-UHFFFAOYSA-N -1 3 395.456 3.618 20 30 GHEDHM Cc1nc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)sc1SCC#N ZINC000436773972 852307482 /nfs/dbraw/zinc/30/74/82/852307482.db2.gz LPXKKWJZKBPEDV-UHFFFAOYSA-N -1 3 375.475 3.739 20 30 GHEDHM C=CCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000490058038 852740774 /nfs/dbraw/zinc/74/07/74/852740774.db2.gz IYZKTJRHDCMNAB-UHFFFAOYSA-N -1 3 390.480 3.959 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nn1-c1cccc(C#N)c1 ZINC000505980806 852796264 /nfs/dbraw/zinc/79/62/64/852796264.db2.gz HAMWANJHNWBOLN-QGZVFWFLSA-N -1 3 380.411 3.727 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2CN2CCOCC2)s1 ZINC000516658782 852850323 /nfs/dbraw/zinc/85/03/23/852850323.db2.gz XQSRRECROXCYPW-QGZVFWFLSA-N -1 3 383.517 3.763 20 30 GHEDHM Cc1cc(C)cc(OCCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000913271350 853203852 /nfs/dbraw/zinc/20/38/52/853203852.db2.gz MCNCEKLGCUGDQA-UHFFFAOYSA-N -1 3 382.460 3.837 20 30 GHEDHM C[C@@H]1Cc2sc([N-]C(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@@H](C)C1 ZINC000571170383 853779021 /nfs/dbraw/zinc/77/90/21/853779021.db2.gz VZUAAJJOTZUKQJ-RYUDHWBXSA-N -1 3 381.461 3.791 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000055375163 853801621 /nfs/dbraw/zinc/80/16/21/853801621.db2.gz KPYKQZULRKNNGZ-UHFFFAOYSA-N -1 3 384.505 3.550 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccco1)c1ccccc1 ZINC000057659993 855566552 /nfs/dbraw/zinc/56/65/52/855566552.db2.gz PLAQJALLWUYGSA-UHFFFAOYSA-N -1 3 375.428 3.622 20 30 GHEDHM C#CCN(C(=O)c1ccccc1[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000733112803 862724809 /nfs/dbraw/zinc/72/48/09/862724809.db2.gz SHELVBRGLLFLST-INIZCTEOSA-N -1 3 386.245 3.754 20 30 GHEDHM Cc1ccc(-c2ccnn2C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000280992350 862781095 /nfs/dbraw/zinc/78/10/95/862781095.db2.gz CMMILGFOFGBUDN-UHFFFAOYSA-N -1 3 389.459 3.556 20 30 GHEDHM C=C(C)COc1cc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC ZINC000905750824 856506370 /nfs/dbraw/zinc/50/63/70/856506370.db2.gz RPXKMPUGCWWZCZ-OAHLLOKOSA-N -1 3 388.489 3.794 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000508067373 856855859 /nfs/dbraw/zinc/85/58/59/856855859.db2.gz JGLZBKOCZHZCNJ-MRXNPFEDSA-N -1 3 379.363 3.621 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cc(C#N)n3)cc2)cc1 ZINC000552906971 857198922 /nfs/dbraw/zinc/19/89/22/857198922.db2.gz KGKUKCXQAQSJBX-UHFFFAOYSA-N -1 3 380.429 3.558 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000041894134 857311242 /nfs/dbraw/zinc/31/12/42/857311242.db2.gz DIOBIMAKDJQGLH-BFUOFWGJSA-N -1 3 393.487 3.704 20 30 GHEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(Br)c1 ZINC000019680088 857724898 /nfs/dbraw/zinc/72/48/98/857724898.db2.gz IDOVUXCCFKBJMD-UHFFFAOYSA-N -1 3 388.265 3.506 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccccc1F ZINC000592680992 858020438 /nfs/dbraw/zinc/02/04/38/858020438.db2.gz JSIVUZMLHZQCMC-QHCPKHFHSA-N -1 3 395.478 3.971 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000079119772 858401103 /nfs/dbraw/zinc/40/11/03/858401103.db2.gz RDXTWCZNCLZNEU-UHFFFAOYSA-N -1 3 395.484 3.680 20 30 GHEDHM CCc1cc(N2CCC[C@@H](/N=C/c3cc(Br)ccc3[O-])C2)ncn1 ZINC000112497333 859150654 /nfs/dbraw/zinc/15/06/54/859150654.db2.gz VSSJVQDNIIBYCF-OVEPSTSESA-N -1 3 389.297 3.595 20 30 GHEDHM C#CCOC(=O)c1sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC000060708737 859884732 /nfs/dbraw/zinc/88/47/32/859884732.db2.gz IGWSEUJBTYNQQA-UHFFFAOYSA-N -1 3 398.509 3.992 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc(C)cs1 ZINC000157284243 861106463 /nfs/dbraw/zinc/10/64/63/861106463.db2.gz IMHFNXJMULKLAD-GFCCVEGCSA-N -1 3 389.424 3.772 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000734115121 864004595 /nfs/dbraw/zinc/00/45/95/864004595.db2.gz UBLQTWCHEXRLPU-CYBMUJFWSA-N -1 3 380.473 3.695 20 30 GHEDHM O=C1Nc2c(cc(Cl)cc2Br)C1=N[N-]c1ncccc1Cl ZINC000735612908 864881367 /nfs/dbraw/zinc/88/13/67/864881367.db2.gz QYNNDPZDOBFYHK-UHFFFAOYSA-N -1 3 386.036 3.919 20 30 GHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000480593812 864929277 /nfs/dbraw/zinc/92/92/77/864929277.db2.gz FUAWTJSNIIYTLS-UHFFFAOYSA-N -1 3 381.382 3.730 20 30 GHEDHM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)NC1=O ZINC000171567406 865296489 /nfs/dbraw/zinc/29/64/89/865296489.db2.gz SAZONKYYABVYIN-JQWIXIFHSA-N -1 3 396.353 3.641 20 30 GHEDHM CCOC(=O)[C@H](Cc1ccccc1)/N=C\c1cc(Br)ccc1[O-] ZINC000920173361 881881463 /nfs/dbraw/zinc/88/14/63/881881463.db2.gz CSOARCXWLRPZPN-DEFALTHMSA-N -1 3 376.250 3.748 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793123148 881931583 /nfs/dbraw/zinc/93/15/83/881931583.db2.gz FRPWUGFYSSYFDK-OAHLLOKOSA-N -1 3 396.809 3.754 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000440679907 867943103 /nfs/dbraw/zinc/94/31/03/867943103.db2.gz ZIXQJDINXVGTSE-UHFFFAOYSA-N -1 3 394.318 3.751 20 30 GHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000523879562 868222522 /nfs/dbraw/zinc/22/25/22/868222522.db2.gz SGGZJDXQRPCLFK-SNVBAGLBSA-N -1 3 387.324 3.816 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001192468228 870385003 /nfs/dbraw/zinc/38/50/03/870385003.db2.gz KSYWGEHPZBKEID-GWCFXTLKSA-N -1 3 393.734 3.911 20 30 GHEDHM Cc1ccc(C(=N[O-])NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)nc1 ZINC001192777771 870660171 /nfs/dbraw/zinc/66/01/71/870660171.db2.gz NLXUMHCFAXFOEM-UHFFFAOYSA-N -1 3 394.045 3.964 20 30 GHEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc2ccccc2s1 ZINC001193041009 870835089 /nfs/dbraw/zinc/83/50/89/870835089.db2.gz VALIEWKKKRIACA-UHFFFAOYSA-N -1 3 375.450 3.521 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1ccc([O-])cc1C(F)(F)F)CCO2 ZINC001193749870 871289970 /nfs/dbraw/zinc/28/99/70/871289970.db2.gz RUAWPKKDHZDCES-AUUYWEPGSA-N -1 3 399.409 3.625 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(C(C)C)cc2[O-])C1=O ZINC000793986323 882521711 /nfs/dbraw/zinc/52/17/11/882521711.db2.gz JXVACJYSJGCUBZ-OAQYLSRUSA-N -1 3 389.496 3.831 20 30 GHEDHM CC(C)c1cccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC001195168856 872228552 /nfs/dbraw/zinc/22/85/52/872228552.db2.gz YPJMLJOOGODBOO-UHFFFAOYSA-N -1 3 381.313 3.921 20 30 GHEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1F ZINC000443411382 872288158 /nfs/dbraw/zinc/28/81/58/872288158.db2.gz DVWSGCCHYWFLCZ-UHFFFAOYSA-N -1 3 392.305 3.665 20 30 GHEDHM CSc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c2ccccn12 ZINC000464412463 873796159 /nfs/dbraw/zinc/79/61/59/873796159.db2.gz VFBCKSPPXXMGJA-LLVKDONJSA-N -1 3 376.363 3.960 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(C(F)(F)F)cc1)[n-]c2=O ZINC000769807307 874299490 /nfs/dbraw/zinc/29/94/90/874299490.db2.gz KHWQIHFQZDDKAW-UHFFFAOYSA-N -1 3 378.358 3.752 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC(C)(C)C)c1 ZINC000770098093 874457331 /nfs/dbraw/zinc/45/73/31/874457331.db2.gz BWAFSGQGWCWWCS-INIZCTEOSA-N -1 3 394.427 3.612 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786030408 876416548 /nfs/dbraw/zinc/41/65/48/876416548.db2.gz FBEHGUWWWAGNJL-LBPRGKRZSA-N -1 3 383.429 3.951 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)c1 ZINC000786030261 876416785 /nfs/dbraw/zinc/41/67/85/876416785.db2.gz WKDBQMDWVZLAON-OAHLLOKOSA-N -1 3 379.416 3.870 20 30 GHEDHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1C(C)C ZINC000530135881 877186737 /nfs/dbraw/zinc/18/67/37/877186737.db2.gz ZROFFKZSMSBTLL-UHFFFAOYSA-N -1 3 388.489 3.816 20 30 GHEDHM CC(C)(C)OC(=O)[C@H](C([O-])=C(C#N)c1cnc2ccccc2n1)C1CCCC1 ZINC000850984807 877319637 /nfs/dbraw/zinc/31/96/37/877319637.db2.gz BXQZPUGVNJINSX-KXBFYZLASA-N -1 3 379.460 3.954 20 30 GHEDHM Cc1nc2scc(C3CC3)n2c1C=N[N-]c1nnc(-c2ccccn2)s1 ZINC000788029450 877791853 /nfs/dbraw/zinc/79/18/53/877791853.db2.gz FIKFJZMTFONMOY-UHFFFAOYSA-N -1 3 381.490 3.941 20 30 GHEDHM COc1cc(NN=C(C)c2ccc([O-])c(CN3CCOCC3)c2)ccc1Cl ZINC000788471602 878088587 /nfs/dbraw/zinc/08/85/87/878088587.db2.gz FRYIVLOLPXDIOE-UHFFFAOYSA-N -1 3 389.883 3.723 20 30 GHEDHM N#Cc1cccc(CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC000852672178 878508374 /nfs/dbraw/zinc/50/83/74/878508374.db2.gz PDCNWGAELZOMSA-RTBURBONSA-N -1 3 387.405 3.595 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@H](C)OCc1ccccc1 ZINC000789012403 878534761 /nfs/dbraw/zinc/53/47/61/878534761.db2.gz SBQFNLLSZYKUOG-HNNXBMFYSA-N -1 3 382.460 3.747 20 30 GHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(N4CCCC4=O)ccc3F)on2)c1 ZINC000789899726 879345122 /nfs/dbraw/zinc/34/51/22/879345122.db2.gz OMGNXVVKHCWTIS-UHFFFAOYSA-N -1 3 390.374 3.731 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(Cl)c4c(c3)OCCCO4)nc1-2 ZINC000531423815 879805237 /nfs/dbraw/zinc/80/52/37/879805237.db2.gz LCLHLRPDVHSSMG-GFCCVEGCSA-N -1 3 382.807 3.571 20 30 GHEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1C ZINC000791772126 880669742 /nfs/dbraw/zinc/66/97/42/880669742.db2.gz WNUGCXGHUKNAJD-LBPRGKRZSA-N -1 3 387.779 3.526 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C=NOC)cc3)c2)n1 ZINC000918599453 884054040 /nfs/dbraw/zinc/05/40/40/884054040.db2.gz FVDXBCSBPXTATB-UHFFFAOYSA-N -1 3 376.416 3.644 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000777141522 884736473 /nfs/dbraw/zinc/73/64/73/884736473.db2.gz ALPSHIOWTFINHN-UHFFFAOYSA-N -1 3 375.428 3.507 20 30 GHEDHM COCCc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(Cl)c1 ZINC000861438471 885500915 /nfs/dbraw/zinc/50/09/15/885500915.db2.gz FXQGWZZTPVRSCG-UHFFFAOYSA-N -1 3 388.851 3.656 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000193395023 885978603 /nfs/dbraw/zinc/97/86/03/885978603.db2.gz PWXFMKFZSMJFKW-CQSZACIVSA-N -1 3 387.779 3.608 20 30 GHEDHM C[C@H]([N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC000862032052 886068851 /nfs/dbraw/zinc/06/88/51/886068851.db2.gz XDBDBRFEHAFNPH-IMTBSYHQSA-N -1 3 385.239 3.995 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1[O-] ZINC000915271117 886192021 /nfs/dbraw/zinc/19/20/21/886192021.db2.gz KPAAZXBGYCHCIV-JNXALSOLSA-N -1 3 377.444 3.742 20 30 GHEDHM COCCN(Cc1ccc(C#N)cc1)Cc1c([O-])cccc1Br ZINC000862224440 886220845 /nfs/dbraw/zinc/22/08/45/886220845.db2.gz QNISWWGCTWTPMV-UHFFFAOYSA-N -1 3 375.266 3.675 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccnc(SCC)c2)C1=O ZINC000919743526 886251664 /nfs/dbraw/zinc/25/16/64/886251664.db2.gz UXDYNGQCARFIPC-IBGZPJMESA-N -1 3 392.525 3.509 20 30 GHEDHM CCc1csc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)cn2)n1 ZINC000762637117 886595140 /nfs/dbraw/zinc/59/51/40/886595140.db2.gz ZHEOIIJOCUFJCU-CYBMUJFWSA-N -1 3 399.863 3.506 20 30 GHEDHM [O-]c1ccc(F)c(C=NN2C(=S)N=NC2SCc2ccccc2)c1F ZINC000794485287 886891299 /nfs/dbraw/zinc/89/12/99/886891299.db2.gz UXTFYGWHLDMWHR-UHFFFAOYSA-N -1 3 378.429 3.725 20 30 GHEDHM O=C(NCCCCCC(=O)N([O-])Cc1ccc(F)cc1)NC1CCCCC1 ZINC001184348177 913160662 /nfs/dbraw/zinc/16/06/62/913160662.db2.gz MKPQATYOTSVZOC-UHFFFAOYSA-N -1 3 379.476 3.736 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc(Cl)c(OC)c(OC)c2)c(OC)cc1[O-] ZINC000763106941 887670591 /nfs/dbraw/zinc/67/05/91/887670591.db2.gz SIXJCYDMRCPSBG-WAYWQWQTSA-N -1 3 378.808 3.976 20 30 GHEDHM COC(=O)c1csc(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)c1 ZINC000794725556 887948613 /nfs/dbraw/zinc/94/86/13/887948613.db2.gz ZFDBZGJDDXCTEX-ARJAWSKDSA-N -1 3 397.246 3.908 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)c2ccc(Br)cc2)c1[O-] ZINC000915978208 888594360 /nfs/dbraw/zinc/59/43/60/888594360.db2.gz CFVPIKUHMOMGDX-AWQFTUOYSA-N -1 3 377.282 3.747 20 30 GHEDHM COc1cc(C(=O)/C=C\c2ccccc2I)ccc1[O-] ZINC000916155987 888773763 /nfs/dbraw/zinc/77/37/63/888773763.db2.gz UKXLMPJIRZUEAA-VURMDHGXSA-N -1 3 380.181 3.902 20 30 GHEDHM CCOc1cc(C=NNCc2ccccc2N(C)C)cc(Br)c1[O-] ZINC000794956041 889055199 /nfs/dbraw/zinc/05/51/99/889055199.db2.gz KDPPABXCVPKSKO-UHFFFAOYSA-N -1 3 392.297 3.743 20 30 GHEDHM COC(=O)c1cccc(-c2nc(COC(=O)c3cc([O-])cc(C#N)c3)cs2)c1 ZINC000811185025 889272092 /nfs/dbraw/zinc/27/20/92/889272092.db2.gz XECBNWNAISXKSP-UHFFFAOYSA-N -1 3 394.408 3.531 20 30 GHEDHM C[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)nc2C1 ZINC000870142111 890230144 /nfs/dbraw/zinc/23/01/44/890230144.db2.gz GKLIRMFRUOSSNC-ZYHUDNBSSA-N -1 3 391.258 3.733 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(-c3cccs3)oc2C)c1 ZINC000916889878 890335615 /nfs/dbraw/zinc/33/56/15/890335615.db2.gz JQLFHKMNOZQHCV-AWEZNQCLSA-N -1 3 381.413 3.681 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000916912216 890412545 /nfs/dbraw/zinc/41/25/45/890412545.db2.gz ZHWIJYZLKIGSQW-MRXNPFEDSA-N -1 3 378.819 3.546 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000916913796 890416144 /nfs/dbraw/zinc/41/61/44/890416144.db2.gz YKGYTUCGPFVSPT-LBPRGKRZSA-N -1 3 382.782 3.626 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1ccccc1F ZINC000917505708 892103803 /nfs/dbraw/zinc/10/38/03/892103803.db2.gz PNMDNKYUEDFUAA-BOLDSZDNSA-N -1 3 382.391 3.552 20 30 GHEDHM Fc1ccc2c(C=Nn3c(=S)[n-]nc3[C@@H]3COc4ccccc4O3)c[nH]c2c1 ZINC000917537831 892133102 /nfs/dbraw/zinc/13/31/02/892133102.db2.gz GBQXPPZRVJOJPD-KRWDZBQOSA-N -1 3 395.419 3.582 20 30 GHEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])c1ncc(Br)cn1 ZINC000814184196 892380156 /nfs/dbraw/zinc/38/01/56/892380156.db2.gz XMLMRRSYJGLNFB-RQKSUGJFSA-N -1 3 385.059 3.887 20 30 GHEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1ccc2ccccc2c1[O-] ZINC000814730718 893110440 /nfs/dbraw/zinc/11/04/40/893110440.db2.gz SVSSLOVPYCLAQO-UHFFFAOYSA-N -1 3 376.441 3.983 20 30 GHEDHM CSc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000814742176 893135259 /nfs/dbraw/zinc/13/52/59/893135259.db2.gz ZVASIPFVNQVDEN-ZDUSSCGKSA-N -1 3 390.515 3.745 20 30 GHEDHM CN(C)c1nc(-c2ccccc2)c(C=[NH+][N-]c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825883921 893214908 /nfs/dbraw/zinc/21/49/08/893214908.db2.gz PWAROXDHQXJVKZ-UHFFFAOYSA-N -1 3 390.476 3.502 20 30 GHEDHM CC[C@@H](C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000778298019 894146570 /nfs/dbraw/zinc/14/65/70/894146570.db2.gz OECOCTPABKJBAZ-MFKMUULPSA-N -1 3 376.819 3.916 20 30 GHEDHM COc1cc(C#N)ccc1CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000826176868 895802591 /nfs/dbraw/zinc/80/25/91/895802591.db2.gz HVTCBUASHQWDTR-UHFFFAOYSA-N -1 3 399.414 3.546 20 30 GHEDHM CCc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1cccc(Cl)c1 ZINC000568633028 897996203 /nfs/dbraw/zinc/99/62/03/897996203.db2.gz AVPWXRVPLIWFQF-UHFFFAOYSA-N -1 3 380.901 3.770 20 30 GHEDHM N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000826385814 899147839 /nfs/dbraw/zinc/14/78/39/899147839.db2.gz BXQQARJALYULOQ-UHFFFAOYSA-N -1 3 392.322 3.817 20 30 GHEDHM N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000826385814 899147850 /nfs/dbraw/zinc/14/78/50/899147850.db2.gz BXQQARJALYULOQ-UHFFFAOYSA-N -1 3 392.322 3.817 20 30 GHEDHM C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823888026 899306980 /nfs/dbraw/zinc/30/69/80/899306980.db2.gz DBWYHDKYXWSPAQ-HUUCEWRRSA-N -1 3 376.464 3.859 20 30 GHEDHM C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823888026 899306996 /nfs/dbraw/zinc/30/69/96/899306996.db2.gz DBWYHDKYXWSPAQ-HUUCEWRRSA-N -1 3 376.464 3.859 20 30 GHEDHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000157217300 900348047 /nfs/dbraw/zinc/34/80/47/900348047.db2.gz CTJHMNWPORIYLS-GFCCVEGCSA-N -1 3 391.474 3.618 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC000886692900 901230110 /nfs/dbraw/zinc/23/01/10/901230110.db2.gz LASCWJMSNIMBLJ-CYBMUJFWSA-N -1 3 399.878 3.674 20 30 GHEDHM CC(C)c1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000048477173 903647062 /nfs/dbraw/zinc/64/70/62/903647062.db2.gz CLHXNBRBWIRAEP-UHFFFAOYSA-N -1 3 377.488 3.735 20 30 GHEDHM CC(C)(CCC#N)c1ccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC001148909142 904244902 /nfs/dbraw/zinc/24/49/02/904244902.db2.gz OHGVVKIAHBGQCZ-UHFFFAOYSA-N -1 3 376.416 3.875 20 30 GHEDHM COc1cc(Cl)c(Cl)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000190764978 906306863 /nfs/dbraw/zinc/30/68/63/906306863.db2.gz VJMFVBXPWOCWRL-UHFFFAOYSA-N -1 3 394.258 3.750 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000299569046 921457837 /nfs/dbraw/zinc/45/78/37/921457837.db2.gz GMHKLGOVIXCUFX-IBGZPJMESA-N -1 3 377.488 3.832 20 30 GHEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001276034787 921577326 /nfs/dbraw/zinc/57/73/26/921577326.db2.gz BJDRAZCOPZTVKH-UHFFFAOYSA-N -1 3 389.362 3.667 20 30 GHEDHM C=CCOC[C@H](NCc1cn(-c2ccccc2Cl)nc1C(C)(C)C)C(=O)[O-] ZINC000901814855 921587649 /nfs/dbraw/zinc/58/76/49/921587649.db2.gz WSVWMLRJVGXUEV-INIZCTEOSA-N -1 3 391.899 3.569 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@H](C#N)C2CCCCC2)CC1 ZINC000774020173 911259886 /nfs/dbraw/zinc/25/98/86/911259886.db2.gz QGDZUZPVJBOICB-MRXNPFEDSA-N -1 3 399.482 3.857 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC000774053696 911293211 /nfs/dbraw/zinc/29/32/11/911293211.db2.gz PFQRIFKQYKNYBW-LLVKDONJSA-N -1 3 397.740 3.637 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)c1ccccc1 ZINC001189141928 916424303 /nfs/dbraw/zinc/42/43/03/916424303.db2.gz TVMZWDTZDLYGJX-AWEZNQCLSA-N -1 3 385.670 3.646 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(F)c1F ZINC001189531904 916727101 /nfs/dbraw/zinc/72/71/01/916727101.db2.gz PTUNYFPJZLJION-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM O=S(=O)([N-]Cc1ccc(F)c(F)c1F)c1cc(C(F)(F)F)ccc1F ZINC001190327670 917263078 /nfs/dbraw/zinc/26/30/78/917263078.db2.gz DECRYEOLVDCOCU-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2Cl)c1 ZINC001190666086 917454841 /nfs/dbraw/zinc/45/48/41/917454841.db2.gz UXDHYOFJOGABHC-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM C=CCC1(S(=O)(=O)[N-]c2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001190805295 917574690 /nfs/dbraw/zinc/57/46/90/917574690.db2.gz GDKJEKCFEDXSHP-UHFFFAOYSA-N -1 3 378.494 3.835 20 30 GHEDHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001191265158 917857733 /nfs/dbraw/zinc/85/77/33/917857733.db2.gz KZLXFZVQCXYGKC-CQSZACIVSA-N -1 3 380.853 3.714 20 30 GHEDHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000298790602 920930435 /nfs/dbraw/zinc/93/04/35/920930435.db2.gz SFWIVISMYRXPGO-WYMPLXKRSA-N -1 3 381.476 3.519 20 30 GHEDHM C[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000901369946 921046102 /nfs/dbraw/zinc/04/61/02/921046102.db2.gz LTBBZXMYADWVSG-AWEZNQCLSA-N -1 3 387.432 3.559 20 30 GHEDHM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370498 921047055 /nfs/dbraw/zinc/04/70/55/921047055.db2.gz ZZLCTRTXPYRWBO-FQEVSTJZSA-N -1 3 394.496 3.853 20 30 GHEDHM CCS(=O)(=O)c1cccc(CC(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901371742 921048051 /nfs/dbraw/zinc/04/80/51/921048051.db2.gz XXPJOWMZNLHICZ-UHFFFAOYSA-N -1 3 383.469 3.594 20 30 GHEDHM O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N([O-])Cc1cccc2ccccc21 ZINC000901371243 921048362 /nfs/dbraw/zinc/04/83/62/921048362.db2.gz PLBOJVVSZMJNRS-UHFFFAOYSA-N -1 3 380.385 3.784 20 30 GHEDHM COc1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1Br ZINC000901376699 921054044 /nfs/dbraw/zinc/05/40/44/921054044.db2.gz YOPHZPQPJWQSDO-UHFFFAOYSA-N -1 3 382.229 3.947 20 30 GHEDHM O=C(c1ccc(F)cc1I)N([O-])Cc1ccc(F)cc1 ZINC000901376204 921054393 /nfs/dbraw/zinc/05/43/93/921054393.db2.gz QQYOZNQATNRGDR-UHFFFAOYSA-N -1 3 389.139 3.601 20 30 GHEDHM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1nc2ccccc2n1C(F)F ZINC000682498715 926139809 /nfs/dbraw/zinc/13/98/09/926139809.db2.gz RCMFTNKHNMMVJS-JTQLQIEISA-N -1 3 383.280 3.680 20 30 GHEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000726319651 926624322 /nfs/dbraw/zinc/62/43/22/926624322.db2.gz MPGDRHMGRMIHQW-MRXNPFEDSA-N -1 3 389.367 3.718 20 30 GHEDHM CS(=O)(=O)c1ccc(Oc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)cc1 ZINC000726427777 926658922 /nfs/dbraw/zinc/65/89/22/926658922.db2.gz WUXHRQBQAQAVHO-UHFFFAOYSA-N -1 3 399.424 3.750 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1Br ZINC000782578157 931275323 /nfs/dbraw/zinc/27/53/23/931275323.db2.gz WAJWKLNHLZRLMI-GFCCVEGCSA-N -1 3 382.217 3.891 20 30 GHEDHM CN1CCC(=O)Nc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc21 ZINC000797571647 932331947 /nfs/dbraw/zinc/33/19/47/932331947.db2.gz TZWZRUZQVVWQNN-CYBMUJFWSA-N -1 3 382.489 3.709 20 30 GHEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000931623310 934648245 /nfs/dbraw/zinc/64/82/45/934648245.db2.gz YYTNZMQMWXGGMX-MRXNPFEDSA-N -1 3 385.489 3.590 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001121607231 934713737 /nfs/dbraw/zinc/71/37/37/934713737.db2.gz KANYPYLOVCAIQL-KRWDZBQOSA-N -1 3 396.882 3.930 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCO2)c1[O-] ZINC001122927081 935032826 /nfs/dbraw/zinc/03/28/26/935032826.db2.gz OMAYIXNKNOMFOB-WMZOPIPTSA-N -1 3 395.507 3.687 20 30 GHEDHM C#CCOc1cccc(Cl)c1CNCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001573288460 946866543 /nfs/dbraw/zinc/86/65/43/946866543.db2.gz LHYSOHCVXPZHKC-UHFFFAOYSA-N -1 3 399.907 3.544 20 30 GHEDHM C#CCOc1cccc(Cl)c1CNCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001573288460 946866548 /nfs/dbraw/zinc/86/65/48/946866548.db2.gz LHYSOHCVXPZHKC-UHFFFAOYSA-N -1 3 399.907 3.544 20 30 GHEDHM C#CCSc1ccc(COC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573289963 946894253 /nfs/dbraw/zinc/89/42/53/946894253.db2.gz SAWVXUDODMBNBF-HNNXBMFYSA-N -1 3 392.484 3.514 20 30 GHEDHM C#CCSc1ccc(COC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573289963 946894265 /nfs/dbraw/zinc/89/42/65/946894265.db2.gz SAWVXUDODMBNBF-HNNXBMFYSA-N -1 3 392.484 3.514 20 30 GHEDHM C=CCCCCn1c([C@H](C)CC)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573335485 947480947 /nfs/dbraw/zinc/48/09/47/947480947.db2.gz PGFIFDPFBCKHHK-MRXNPFEDSA-N -1 3 394.527 3.964 20 30 GHEDHM C=CCCCCn1c([C@H](C)CC)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573335485 947480952 /nfs/dbraw/zinc/48/09/52/947480952.db2.gz PGFIFDPFBCKHHK-MRXNPFEDSA-N -1 3 394.527 3.964 20 30 GHEDHM C=CCCOCC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001573335838 947489713 /nfs/dbraw/zinc/48/97/13/947489713.db2.gz FFKFRRLGDQMMGE-UHFFFAOYSA-N -1 3 381.461 3.549 20 30 GHEDHM C=CCCOCC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001573335838 947489719 /nfs/dbraw/zinc/48/97/19/947489719.db2.gz FFKFRRLGDQMMGE-UHFFFAOYSA-N -1 3 381.461 3.549 20 30 GHEDHM CC#CCCCC(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001573359049 947675944 /nfs/dbraw/zinc/67/59/44/947675944.db2.gz VFNGERWJCSFORH-UHFFFAOYSA-N -1 3 376.416 3.896 20 30 GHEDHM CC#CCCCC(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001573359049 947675953 /nfs/dbraw/zinc/67/59/53/947675953.db2.gz VFNGERWJCSFORH-UHFFFAOYSA-N -1 3 376.416 3.896 20 30 GHEDHM CC(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2-c2nnn[n-]2)C1 ZINC001574099849 949185349 /nfs/dbraw/zinc/18/53/49/949185349.db2.gz OUWPDMKFEDLWTH-AWEZNQCLSA-N -1 3 392.488 3.813 20 30 GHEDHM CC(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2-c2nn[n-]n2)C1 ZINC001574099849 949185359 /nfs/dbraw/zinc/18/53/59/949185359.db2.gz OUWPDMKFEDLWTH-AWEZNQCLSA-N -1 3 392.488 3.813 20 30 GHEDHM C#C[C@H]1CCCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OCC)c2)C1 ZINC001588383424 983381142 /nfs/dbraw/zinc/38/11/42/983381142.db2.gz ZETOHAXKGDJBOE-INIZCTEOSA-N -1 3 383.444 3.801 20 30 GHEDHM COC(=O)c1ccc(C2(Nc3nc(SC)nc(Cl)c3/C=N/[O-])CC2)cc1 ZINC001155307768 1032495848 /nfs/dbraw/zinc/49/58/48/1032495848.db2.gz DEQZPGAKNWSBAN-DJKKODMXSA-N -1 3 392.868 3.548 20 30 GHEDHM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000777844132 1017751554 /nfs/dbraw/zinc/75/15/54/1017751554.db2.gz ZHNOKSHWGVKAQW-NSHDSACASA-N -1 3 393.336 3.718 20 30 GHEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001228133968 1032801876 /nfs/dbraw/zinc/80/18/76/1032801876.db2.gz KSYUDEJFMQJPKH-KDOFPFPSSA-N -1 3 388.464 3.685 20 30 GHEDHM COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccn3)c2C)c(OC)cc1[O-] ZINC000802705153 1021524462 /nfs/dbraw/zinc/52/44/62/1021524462.db2.gz BSELYQBWFWAJBY-HJWRWDBZSA-N -1 3 379.416 3.503 20 30 GHEDHM CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc([N-]c3nonc3C3CC3)c2)C1 ZINC001204659344 1033017953 /nfs/dbraw/zinc/01/79/53/1033017953.db2.gz FTZXDJRAEHDQFX-UHFFFAOYSA-N -1 3 381.436 3.897 20 30 GHEDHM C#C[C@@H](CC)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000754354751 1022637079 /nfs/dbraw/zinc/63/70/79/1022637079.db2.gz VFWNGMDTIXSQGT-IBGZPJMESA-N -1 3 398.528 3.863 20 30 GHEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CC[C@@](C)(C#N)CC2)ccc1F ZINC000836157750 1022687440 /nfs/dbraw/zinc/68/74/40/1022687440.db2.gz DWHHZJJAIUSULS-DHFPXDALSA-N -1 3 396.484 3.532 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)Cc2cc(Br)ccc2F)c1[O-] ZINC000754684930 1022830615 /nfs/dbraw/zinc/83/06/15/1022830615.db2.gz CSQUOVVCWFUYJC-OTWRLEFPSA-N -1 3 381.245 3.540 20 30 GHEDHM C=CCONC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000837044844 1023976476 /nfs/dbraw/zinc/97/64/76/1023976476.db2.gz UFYQYBFRUCTWFX-UHFFFAOYSA-N -1 3 388.489 3.568 20 30 GHEDHM CSc1nc2[nH]ccc2c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001163765030 1026308465 /nfs/dbraw/zinc/30/84/65/1026308465.db2.gz KJNJLPHOZLOUOW-UHFFFAOYSA-N -1 3 383.355 3.826 20 30 GHEDHM CC(=O)Nc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001163769340 1026310500 /nfs/dbraw/zinc/31/05/00/1026310500.db2.gz WEYWUSNNVYZQLL-UHFFFAOYSA-N -1 3 398.297 3.700 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ccc(Cl)s2)c(C)c1[O-] ZINC001142244802 1028458162 /nfs/dbraw/zinc/45/81/62/1028458162.db2.gz ZVCKOFHXMOXQKG-UHFFFAOYSA-N -1 3 378.837 3.645 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cncc3ccccc32)c(C)c1[O-] ZINC001150921964 1030710101 /nfs/dbraw/zinc/71/01/01/1030710101.db2.gz CSKCRXTULDJXCJ-UHFFFAOYSA-N -1 3 375.384 3.550 20 30 GHEDHM CSc1ccc([O-])c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC001151049893 1030758818 /nfs/dbraw/zinc/75/88/18/1030758818.db2.gz BZHXKXZLJBNIOT-AWEZNQCLSA-N -1 3 377.263 3.871 20 30 GHEDHM COc1ccc2c(c1)[n-]c(C(=O)N(CCC#N)Cc1ccc(Cl)cc1)cc2=O ZINC001154115525 1031936019 /nfs/dbraw/zinc/93/60/19/1031936019.db2.gz SYVXIZCZWTVQHQ-UHFFFAOYSA-N -1 3 395.846 3.746 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001229337958 1033423624 /nfs/dbraw/zinc/42/36/24/1033423624.db2.gz POXGPPADNLMUHC-QGZVFWFLSA-N -1 3 378.508 3.876 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001229337958 1033423628 /nfs/dbraw/zinc/42/36/28/1033423628.db2.gz POXGPPADNLMUHC-QGZVFWFLSA-N -1 3 378.508 3.876 20 30 GHEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001230414424 1034042193 /nfs/dbraw/zinc/04/21/93/1034042193.db2.gz GMHOCNLSOIHSIE-LBPRGKRZSA-N -1 3 388.265 3.929 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC001158793192 1034272878 /nfs/dbraw/zinc/27/28/78/1034272878.db2.gz HEZQTMGDEOKACE-RWVMAENDSA-N -1 3 378.885 3.992 20 30 GHEDHM C=CC[C@@H]1[C@H](Oc2ccc(-c3nn[n-]n3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001231078051 1034382774 /nfs/dbraw/zinc/38/27/74/1034382774.db2.gz ZZOJCOYBIYXSBB-IAGOWNOFSA-N -1 3 385.468 3.590 20 30 GHEDHM Cc1ccc(-c2csc(C(=O)N[C@H]3CCCN([O-])C3=O)c2-n2cccc2)cc1 ZINC001159641492 1034699775 /nfs/dbraw/zinc/69/97/75/1034699775.db2.gz NMARCRUPSSABSI-KRWDZBQOSA-N -1 3 395.484 3.624 20 30 GHEDHM CC(=O)N[C@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC001161801679 1035305212 /nfs/dbraw/zinc/30/52/12/1035305212.db2.gz AIUNIYFLLIBPSD-QGZVFWFLSA-N -1 3 381.259 3.979 20 30 GHEDHM O=C(c1ccc(S(=O)(=O)C2CC2)cc1)N([O-])Cc1cccc2ccccc21 ZINC001161842541 1035313868 /nfs/dbraw/zinc/31/38/68/1035313868.db2.gz IMWWICGVHZFKCC-UHFFFAOYSA-N -1 3 381.453 3.808 20 30 GHEDHM N#CC1(c2cccnc2-c2ccc(C(=O)[O-])nc2)CCN(Cc2ccccc2)CC1 ZINC001242333755 1035889119 /nfs/dbraw/zinc/88/91/19/1035889119.db2.gz MOIHLXJTKBGLJP-UHFFFAOYSA-N -1 3 398.466 3.899 20 30 GHEDHM CCCCN(CCC#N)Cc1cc(I)c(OC)cc1[O-] ZINC001248466007 1035894132 /nfs/dbraw/zinc/89/41/32/1035894132.db2.gz LOOZLTNTPZYKQY-UHFFFAOYSA-N -1 3 388.249 3.521 20 30 GHEDHM N#Cc1ccc(-c2ccc(-c3noc(CNC(=O)c4ccccc4[O-])n3)cc2)cc1 ZINC001248499940 1035917593 /nfs/dbraw/zinc/91/75/93/1035917593.db2.gz VUTVOTNSHNJRGB-UHFFFAOYSA-N -1 3 396.406 3.911 20 30 GHEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C(C)(C)C1 ZINC001234512211 1040090024 /nfs/dbraw/zinc/09/00/24/1040090024.db2.gz BAFINGGXNJUSOB-OAHLLOKOSA-N -1 3 398.463 3.621 20 30 GHEDHM CC#C[C@@H](CC)Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC ZINC001234756531 1040286477 /nfs/dbraw/zinc/28/64/77/1040286477.db2.gz COXDMXXSCOBFLN-GFCCVEGCSA-N -1 3 398.411 3.858 20 30 GHEDHM CC#C[C@@H](CC)Oc1c(OC)cc2c(=O)c3c([O-])cc(OC)cc3oc2c1OC ZINC001234756531 1040286488 /nfs/dbraw/zinc/28/64/88/1040286488.db2.gz COXDMXXSCOBFLN-GFCCVEGCSA-N -1 3 398.411 3.858 20 30 GHEDHM COc1c([O-])cc2c(c1OC1=C(C)O[C@H](C)C1=O)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759713 1040289368 /nfs/dbraw/zinc/28/93/68/1040289368.db2.gz STENNOXRGMNWQQ-BZNIZROVSA-N -1 3 396.395 3.705 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(F)c1 ZINC001259125238 1044971763 /nfs/dbraw/zinc/97/17/63/1044971763.db2.gz QKBMCQCCSNZAJK-UHFFFAOYSA-N -1 3 391.424 3.845 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)cc1Br ZINC001261040604 1045858531 /nfs/dbraw/zinc/85/85/31/1045858531.db2.gz UHIZHQZIHCZMIB-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM N#Cc1cc(Cl)nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC001262679253 1046304421 /nfs/dbraw/zinc/30/44/21/1046304421.db2.gz HTZBPAPPTVTENK-UHFFFAOYSA-N -1 3 391.258 3.821 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1coc(C=CC(=O)OC(C)(C)C)c1 ZINC001263616408 1046999503 /nfs/dbraw/zinc/99/95/03/1046999503.db2.gz WAMHQRHNQNQYOK-SZZPACECSA-N -1 3 375.812 3.511 20 30 GHEDHM CCCCCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC001463276726 1070957040 /nfs/dbraw/zinc/95/70/40/1070957040.db2.gz AXWCRCZXHBIXTH-UHFFFAOYSA-N -1 3 387.505 3.699 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001306897136 1048950612 /nfs/dbraw/zinc/95/06/12/1048950612.db2.gz ZZRZJGYIGNGDCF-ZDUSSCGKSA-N -1 3 383.286 3.600 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccc(C(C)C)cc2C1 ZINC001342386103 1053140951 /nfs/dbraw/zinc/14/09/51/1053140951.db2.gz SDZKQODLKGXHPZ-UHFFFAOYSA-N -1 3 390.491 3.621 20 30 GHEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N1CCC2(CCO2)CC1 ZINC001338829283 1058816364 /nfs/dbraw/zinc/81/63/64/1058816364.db2.gz GTUDEXDBUCQSDS-UHFFFAOYSA-N -1 3 380.492 3.715 20 30 GHEDHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Oc2cccnc2)cc1 ZINC001346865252 1061945820 /nfs/dbraw/zinc/94/58/20/1061945820.db2.gz BXFZIDSVLNUJBT-AWEZNQCLSA-N -1 3 379.441 3.674 20 30 GHEDHM C#CCCCCCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454925018 1061957223 /nfs/dbraw/zinc/95/72/23/1061957223.db2.gz IVABGZNCSBFOGS-HNNXBMFYSA-N -1 3 380.410 3.769 20 30 GHEDHM CCc1c(C(=O)N([O-])CCCCc2ccccc2)nnn1Cc1ccccc1 ZINC001458007732 1063503013 /nfs/dbraw/zinc/50/30/13/1063503013.db2.gz LFGSDLFXMZOEMR-UHFFFAOYSA-N -1 3 378.476 3.743 20 30 GHEDHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463866574 1064679620 /nfs/dbraw/zinc/67/96/20/1064679620.db2.gz SOCKRDAVDALJDW-OAHLLOKOSA-N -1 3 380.853 3.714 20 30 GHEDHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC001464339100 1064962049 /nfs/dbraw/zinc/96/20/49/1064962049.db2.gz LDMRDDUGTUTMGB-KRWDZBQOSA-N -1 3 396.390 3.733 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc3ccccc3c2)ccc1F ZINC001353208543 1065769690 /nfs/dbraw/zinc/76/96/90/1065769690.db2.gz JXSBPUBBJJBLMG-UHFFFAOYSA-N -1 3 385.416 3.662 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2scc3c2OCCO3)cc1 ZINC000847626283 1065783288 /nfs/dbraw/zinc/78/32/88/1065783288.db2.gz INPUOEBJDNLRJY-DOMZBBRYSA-N -1 3 384.457 3.994 20 30 GHEDHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccc(Br)cn1 ZINC001467661008 1067404699 /nfs/dbraw/zinc/40/46/99/1067404699.db2.gz HBZOAMSUUGEZRN-JTQLQIEISA-N -1 3 380.192 3.685 20 30 GHEDHM COc1nccc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)n1 ZINC001360227722 1068418328 /nfs/dbraw/zinc/41/83/28/1068418328.db2.gz FPNLMQXRNZVKFN-UHFFFAOYSA-N -1 3 382.367 3.762 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C#CC(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC001472620221 1073580879 /nfs/dbraw/zinc/58/08/79/1073580879.db2.gz UCBIXQLJNZVFOP-UHFFFAOYSA-N -1 3 392.883 3.708 20 30 GHEDHM COc1ccc([C@@H](CC(=O)N([O-])CCCCc2ccccc2)NC(C)=O)cc1 ZINC001472620052 1073580921 /nfs/dbraw/zinc/58/09/21/1073580921.db2.gz MNFAYGHQKDFQFL-OAQYLSRUSA-N -1 3 384.476 3.503 20 30 GHEDHM N#Cc1cccc(Oc2ccnc(N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)n2)c1 ZINC001472900559 1073718967 /nfs/dbraw/zinc/71/89/67/1073718967.db2.gz SOKAXJIMAOHNOW-WKILWMFISA-N -1 3 388.431 3.774 20 30 GHEDHM C#C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(Br)cc1 ZINC001474547281 1074458263 /nfs/dbraw/zinc/45/82/63/1074458263.db2.gz YAMVFDAYAILUPI-AWEZNQCLSA-N -1 3 391.221 3.536 20 30 GHEDHM N#Cc1ccc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c(OC(F)F)c1 ZINC001601101938 1126222072 /nfs/dbraw/zinc/22/20/72/1126222072.db2.gz RRQQFZOJJOIEKX-MRXNPFEDSA-N -1 3 386.354 3.691 20 30 GHEDHM Cc1cccc2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c(Cl)nc12 ZINC000822340954 607252672 /nfs/dbraw/zinc/25/26/72/607252672.db2.gz OIKMVCNYEVUVSJ-UHFFFAOYSA-N -1 3 377.839 3.500 20 30 GHEDHM Cc1cccc2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c(Cl)nc12 ZINC000822340954 607252673 /nfs/dbraw/zinc/25/26/73/607252673.db2.gz OIKMVCNYEVUVSJ-UHFFFAOYSA-N -1 3 377.839 3.500 20 30 GHEDHM N#Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737705080 598920060 /nfs/dbraw/zinc/92/00/60/598920060.db2.gz MKSRBKAUHIOKJL-UHFFFAOYSA-N -1 3 394.438 3.899 20 30 GHEDHM N#Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737705080 598920062 /nfs/dbraw/zinc/92/00/62/598920062.db2.gz MKSRBKAUHIOKJL-UHFFFAOYSA-N -1 3 394.438 3.899 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000737720076 598979552 /nfs/dbraw/zinc/97/95/52/598979552.db2.gz YGCMUYPBLDCTEB-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000737720076 598979553 /nfs/dbraw/zinc/97/95/53/598979553.db2.gz YGCMUYPBLDCTEB-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM CCCOc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OC ZINC000821128609 599112593 /nfs/dbraw/zinc/11/25/93/599112593.db2.gz XNDLUHFCFQCLPQ-WJDWOHSUSA-N -1 3 390.443 3.877 20 30 GHEDHM CCCOc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OC ZINC000821128609 599112595 /nfs/dbraw/zinc/11/25/95/599112595.db2.gz XNDLUHFCFQCLPQ-WJDWOHSUSA-N -1 3 390.443 3.877 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(N3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000737080798 599153592 /nfs/dbraw/zinc/15/35/92/599153592.db2.gz HNGGYXMGJVAHQJ-VZUCSPMQSA-N -1 3 389.459 3.762 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000737080798 599153594 /nfs/dbraw/zinc/15/35/94/599153594.db2.gz HNGGYXMGJVAHQJ-VZUCSPMQSA-N -1 3 389.459 3.762 20 30 GHEDHM CCc1ccc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)cc1 ZINC000736682660 599156966 /nfs/dbraw/zinc/15/69/66/599156966.db2.gz KKEJHASFASWOGM-JYRVWZFOSA-N -1 3 384.443 3.819 20 30 GHEDHM N#CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCCC1 ZINC000822801230 599219166 /nfs/dbraw/zinc/21/91/66/599219166.db2.gz GPDWZSWSQXBAES-UHFFFAOYSA-N -1 3 392.394 3.821 20 30 GHEDHM N#CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)CCCC1 ZINC000822801230 599219168 /nfs/dbraw/zinc/21/91/68/599219168.db2.gz GPDWZSWSQXBAES-UHFFFAOYSA-N -1 3 392.394 3.821 20 30 GHEDHM C[C@H](C#N)COC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819857998 607323100 /nfs/dbraw/zinc/32/31/00/607323100.db2.gz XSGRUMJMOZCPMX-LLVKDONJSA-N -1 3 383.795 3.629 20 30 GHEDHM C[C@H](C#N)COC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819857998 607323101 /nfs/dbraw/zinc/32/31/01/607323101.db2.gz XSGRUMJMOZCPMX-LLVKDONJSA-N -1 3 383.795 3.629 20 30 GHEDHM N#CCc1cccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737697691 598232178 /nfs/dbraw/zinc/23/21/78/598232178.db2.gz LFNZIWANKZTJOJ-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1cccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737697691 598232179 /nfs/dbraw/zinc/23/21/79/598232179.db2.gz LFNZIWANKZTJOJ-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM Oc1cccc(C=Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1O ZINC000738400017 598538559 /nfs/dbraw/zinc/53/85/59/598538559.db2.gz AIOZHNOHLUZKFY-UHFFFAOYSA-N -1 3 387.399 3.608 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1cccnc1 ZINC000737798593 598546761 /nfs/dbraw/zinc/54/67/61/598546761.db2.gz MSMUBVWTHUDAGT-KHPPLWFESA-N -1 3 383.411 3.737 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cccnc1 ZINC000737798593 598546763 /nfs/dbraw/zinc/54/67/63/598546763.db2.gz MSMUBVWTHUDAGT-KHPPLWFESA-N -1 3 383.411 3.737 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737727212 598547165 /nfs/dbraw/zinc/54/71/65/598547165.db2.gz GVZOHKYSPINGIK-CSKARUKUSA-N -1 3 380.411 3.883 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737727212 598547166 /nfs/dbraw/zinc/54/71/66/598547166.db2.gz GVZOHKYSPINGIK-CSKARUKUSA-N -1 3 380.411 3.883 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2OCC2CC2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203265 598640674 /nfs/dbraw/zinc/64/06/74/598640674.db2.gz STQQEBDOHBYEIO-KHPPLWFESA-N -1 3 389.459 3.608 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2OCC2CC2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203265 598640676 /nfs/dbraw/zinc/64/06/76/598640676.db2.gz STQQEBDOHBYEIO-KHPPLWFESA-N -1 3 389.459 3.608 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735504664 599329418 /nfs/dbraw/zinc/32/94/18/599329418.db2.gz NMPZPJIEYNVKJU-AWEZNQCLSA-N -1 3 380.477 3.609 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735504664 599329420 /nfs/dbraw/zinc/32/94/20/599329420.db2.gz NMPZPJIEYNVKJU-AWEZNQCLSA-N -1 3 380.477 3.609 20 30 GHEDHM CC(C)(C)CCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735602612 599616971 /nfs/dbraw/zinc/61/69/71/599616971.db2.gz DXPUQAPEICTSRF-AWEZNQCLSA-N -1 3 380.477 3.993 20 30 GHEDHM CC(C)(C)CCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735602612 599616973 /nfs/dbraw/zinc/61/69/73/599616973.db2.gz DXPUQAPEICTSRF-AWEZNQCLSA-N -1 3 380.477 3.993 20 30 GHEDHM CCc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)o2)cc1 ZINC000821475941 599631999 /nfs/dbraw/zinc/63/19/99/599631999.db2.gz DTQZSVMAGMUBRW-UHFFFAOYSA-N -1 3 384.399 3.813 20 30 GHEDHM CCc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)o2)cc1 ZINC000821475941 599632000 /nfs/dbraw/zinc/63/20/00/599632000.db2.gz DTQZSVMAGMUBRW-UHFFFAOYSA-N -1 3 384.399 3.813 20 30 GHEDHM C=CCC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734897 607405185 /nfs/dbraw/zinc/40/51/85/607405185.db2.gz WYRPSMQSTHLEEV-SFHVURJKSA-N -1 3 379.489 3.783 20 30 GHEDHM C=CCC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734897 607405187 /nfs/dbraw/zinc/40/51/87/607405187.db2.gz WYRPSMQSTHLEEV-SFHVURJKSA-N -1 3 379.489 3.783 20 30 GHEDHM O=C([O-])CCCN1CCC(=NN=C(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000739672752 600004435 /nfs/dbraw/zinc/00/44/35/600004435.db2.gz XNQJTKULRBSNCN-UHFFFAOYSA-N -1 3 391.471 3.675 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000736849531 600437278 /nfs/dbraw/zinc/43/72/78/600437278.db2.gz UCZLZLBAUUKVTD-QFBILLFUSA-N -1 3 388.851 3.945 20 30 GHEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000737949888 600591015 /nfs/dbraw/zinc/59/10/15/600591015.db2.gz PFYKLSSDJGGIOZ-GTNSWQLSSA-N -1 3 389.249 3.806 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)cc1F ZINC000822923761 607461794 /nfs/dbraw/zinc/46/17/94/607461794.db2.gz UAZSMKZVAUVQNP-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)cc1F ZINC000822923761 607461795 /nfs/dbraw/zinc/46/17/95/607461795.db2.gz UAZSMKZVAUVQNP-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@H](C)c1ccccc1 ZINC000823909496 607536716 /nfs/dbraw/zinc/53/67/16/607536716.db2.gz GNKVHYFSFLVMMN-KRWDZBQOSA-N -1 3 375.476 3.965 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@H](C)c1ccccc1 ZINC000823909496 607536718 /nfs/dbraw/zinc/53/67/18/607536718.db2.gz GNKVHYFSFLVMMN-KRWDZBQOSA-N -1 3 375.476 3.965 20 30 GHEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000833412252 605180362 /nfs/dbraw/zinc/18/03/62/605180362.db2.gz JGFRBTZEPWZKFQ-SFHVURJKSA-N -1 3 385.851 3.592 20 30 GHEDHM N#CC1(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCCC1 ZINC000822800900 606361718 /nfs/dbraw/zinc/36/17/18/606361718.db2.gz AMBXUVNWLCANKR-UHFFFAOYSA-N -1 3 375.388 3.648 20 30 GHEDHM N#CC1(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCCC1 ZINC000822800900 606361719 /nfs/dbraw/zinc/36/17/19/606361719.db2.gz AMBXUVNWLCANKR-UHFFFAOYSA-N -1 3 375.388 3.648 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC(=O)c3sccc3-c3nnn[n-]3)cc2)cc1 ZINC000822833891 606361975 /nfs/dbraw/zinc/36/19/75/606361975.db2.gz ZKBLMRQXAONSIF-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM N#Cc1csc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822845653 606499931 /nfs/dbraw/zinc/49/99/31/606499931.db2.gz AQCCXFWEKIMVJP-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1csc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822845653 606499933 /nfs/dbraw/zinc/49/99/33/606499933.db2.gz AQCCXFWEKIMVJP-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822836977 606533250 /nfs/dbraw/zinc/53/32/50/606533250.db2.gz CPXPMLZUHLYNNC-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822836977 606533252 /nfs/dbraw/zinc/53/32/52/606533252.db2.gz CPXPMLZUHLYNNC-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819898698 606640664 /nfs/dbraw/zinc/64/06/64/606640664.db2.gz IGAINYFPMITIDR-QGZVFWFLSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819898698 606640665 /nfs/dbraw/zinc/64/06/65/606640665.db2.gz IGAINYFPMITIDR-QGZVFWFLSA-N -1 3 392.488 3.686 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819722505 607019415 /nfs/dbraw/zinc/01/94/15/607019415.db2.gz KUDZDVHBPZZFCR-UHFFFAOYSA-N -1 3 393.447 3.618 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819722505 607019416 /nfs/dbraw/zinc/01/94/16/607019416.db2.gz KUDZDVHBPZZFCR-UHFFFAOYSA-N -1 3 393.447 3.618 20 30 GHEDHM CCC(=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)CC ZINC000820832680 607095477 /nfs/dbraw/zinc/09/54/77/607095477.db2.gz MUOLZGRGDKAZFK-OAHLLOKOSA-N -1 3 378.461 3.913 20 30 GHEDHM CCC(=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)CC ZINC000820832680 607095479 /nfs/dbraw/zinc/09/54/79/607095479.db2.gz MUOLZGRGDKAZFK-OAHLLOKOSA-N -1 3 378.461 3.913 20 30 GHEDHM CN(C)c1nc(-c2ccccc2)c(C=[NH+][N-]c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825884291 607885893 /nfs/dbraw/zinc/88/58/93/607885893.db2.gz YFLMMKFKUOBPGG-UHFFFAOYSA-N -1 3 390.476 3.502 20 30 GHEDHM C[C@@H](C#N)CN(C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824034025 608057338 /nfs/dbraw/zinc/05/73/38/608057338.db2.gz FTEFGCFMKLFOSC-LBPRGKRZSA-N -1 3 396.838 3.544 20 30 GHEDHM C[C@@H](C#N)CN(C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824034025 608057339 /nfs/dbraw/zinc/05/73/39/608057339.db2.gz FTEFGCFMKLFOSC-LBPRGKRZSA-N -1 3 396.838 3.544 20 30 GHEDHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000824722909 608185479 /nfs/dbraw/zinc/18/54/79/608185479.db2.gz KHWXKBKPJFWSFH-JTQLQIEISA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000824722909 608185480 /nfs/dbraw/zinc/18/54/80/608185480.db2.gz KHWXKBKPJFWSFH-JTQLQIEISA-N -1 3 387.321 3.675 20 30 GHEDHM N#Cc1ccc(C2=CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000826384590 608442312 /nfs/dbraw/zinc/44/23/12/608442312.db2.gz BMHFSDABWTZVHC-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1ccc(C2=CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000826384590 608442313 /nfs/dbraw/zinc/44/23/13/608442313.db2.gz BMHFSDABWTZVHC-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826476057 608884767 /nfs/dbraw/zinc/88/47/67/608884767.db2.gz ZUBBAULKIRTYHA-WZUFQYTHSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476057 608884770 /nfs/dbraw/zinc/88/47/70/608884770.db2.gz ZUBBAULKIRTYHA-WZUFQYTHSA-N -1 3 385.196 3.591 20 30 GHEDHM CC[C@H](C)[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825053038 609140354 /nfs/dbraw/zinc/14/03/54/609140354.db2.gz ZNBGGBSMKAFMPL-YWPYICTPSA-N -1 3 380.477 3.849 20 30 GHEDHM CC[C@H](C)[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825053038 609140355 /nfs/dbraw/zinc/14/03/55/609140355.db2.gz ZNBGGBSMKAFMPL-YWPYICTPSA-N -1 3 380.477 3.849 20 30 GHEDHM CC[C@H](C)[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825053036 609140660 /nfs/dbraw/zinc/14/06/60/609140660.db2.gz ZNBGGBSMKAFMPL-SLEUVZQESA-N -1 3 380.477 3.849 20 30 GHEDHM CC[C@H](C)[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825053036 609140661 /nfs/dbraw/zinc/14/06/61/609140661.db2.gz ZNBGGBSMKAFMPL-SLEUVZQESA-N -1 3 380.477 3.849 20 30 GHEDHM C=C(C)COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000823878219 609273173 /nfs/dbraw/zinc/27/31/73/609273173.db2.gz SXOFIVCPMQEKIV-XBXARRHUSA-N -1 3 394.406 3.865 20 30 GHEDHM C=C(C)COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000823878219 609273174 /nfs/dbraw/zinc/27/31/74/609273174.db2.gz SXOFIVCPMQEKIV-XBXARRHUSA-N -1 3 394.406 3.865 20 30 GHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401074 609274998 /nfs/dbraw/zinc/27/49/98/609274998.db2.gz OXRVCMYAMKRAJK-KTAJNNJTSA-N -1 3 378.285 3.642 20 30 GHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401074 609275000 /nfs/dbraw/zinc/27/50/00/609275000.db2.gz OXRVCMYAMKRAJK-KTAJNNJTSA-N -1 3 378.285 3.642 20 30 GHEDHM CC(=NNc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958446 609275746 /nfs/dbraw/zinc/27/57/46/609275746.db2.gz NKKLMSAHERELQH-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958446 609275748 /nfs/dbraw/zinc/27/57/48/609275748.db2.gz NKKLMSAHERELQH-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM Cc1cc(C)c(NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826263411 609306084 /nfs/dbraw/zinc/30/60/84/609306084.db2.gz ADDCEANAWKMTFJ-UHFFFAOYSA-N -1 3 386.463 3.638 20 30 GHEDHM Cc1cc(C)c(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826263411 609306085 /nfs/dbraw/zinc/30/60/85/609306085.db2.gz ADDCEANAWKMTFJ-UHFFFAOYSA-N -1 3 386.463 3.638 20 30 GHEDHM C=C(C)CNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823877615 609443057 /nfs/dbraw/zinc/44/30/57/609443057.db2.gz BMBRQLGNUZGPAF-CQSZACIVSA-N -1 3 378.505 3.635 20 30 GHEDHM C=C(C)CNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823877615 609443058 /nfs/dbraw/zinc/44/30/58/609443058.db2.gz BMBRQLGNUZGPAF-CQSZACIVSA-N -1 3 378.505 3.635 20 30 GHEDHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000512958109 844035434 /nfs/dbraw/zinc/03/54/34/844035434.db2.gz BHVRCLCDRSBIGE-UHFFFAOYSA-N -1 3 379.279 3.933 20 30 GHEDHM C=CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000472693353 839166567 /nfs/dbraw/zinc/16/65/67/839166567.db2.gz WXLIYWBTLRBPDH-UHFFFAOYSA-N -1 3 376.453 3.713 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000128550573 861195761 /nfs/dbraw/zinc/19/57/61/861195761.db2.gz OQMRLJQDOWFKJJ-SFHVURJKSA-N -1 3 376.391 3.535 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C(C)(C)C)n2)c1 ZINC000127189382 841806744 /nfs/dbraw/zinc/80/67/44/841806744.db2.gz JYVUMHGRLROCDK-INIZCTEOSA-N -1 3 382.464 3.731 20 30 GHEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392296 842493438 /nfs/dbraw/zinc/49/34/38/842493438.db2.gz AXQPNOROEVBDKR-SFHVURJKSA-N -1 3 384.443 3.566 20 30 GHEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431162537 843740389 /nfs/dbraw/zinc/74/03/89/843740389.db2.gz JHUWMUKWIAXGGG-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM CCCCCCCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000729283281 844829744 /nfs/dbraw/zinc/82/97/44/844829744.db2.gz KIGCDQPILVFJNP-UHFFFAOYSA-N -1 3 386.477 3.577 20 30 GHEDHM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000513563510 845671609 /nfs/dbraw/zinc/67/16/09/845671609.db2.gz SRFKLKIUDLIXNV-NRFANRHFSA-N -1 3 393.487 3.753 20 30 GHEDHM COc1cccc([C@@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])N(C)C)c1 ZINC000255491859 846468412 /nfs/dbraw/zinc/46/84/12/846468412.db2.gz XCVJYHSIIQSHDL-GTNUZRKBSA-N -1 3 377.828 3.684 20 30 GHEDHM C=CCn1c(=O)c2c3c(sc2nc1SCc1ncccc1[O-])CCCC3 ZINC000647914553 846505800 /nfs/dbraw/zinc/50/58/00/846505800.db2.gz NEMOLQXWNLXWPC-UHFFFAOYSA-N -1 3 385.514 3.916 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731547370 861708297 /nfs/dbraw/zinc/70/82/97/861708297.db2.gz ZQEFBZCRQHMRAR-QGZVFWFLSA-N -1 3 377.331 3.848 20 30 GHEDHM Cc1ncc(CO)c(/C=N\C[C@H](C)Sc2ccc(Br)cc2)c1[O-] ZINC000731562639 861713575 /nfs/dbraw/zinc/71/35/75/861713575.db2.gz DTQGYVVMDCJJIN-FBRGWYAUSA-N -1 3 395.322 3.950 20 30 GHEDHM COc1cc(/C=C2\COc3ccc(F)cc3C2=O)cc(Br)c1[O-] ZINC000731565497 861715579 /nfs/dbraw/zinc/71/55/79/861715579.db2.gz QZCQNYLFCWIWJG-ONNFQVAWSA-N -1 3 379.181 3.961 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1csnc1-c1ccccc1 ZINC000436717159 852239688 /nfs/dbraw/zinc/23/96/88/852239688.db2.gz FNYJNHHFCKEANH-UHFFFAOYSA-N -1 3 378.457 3.971 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](c1ccccc1)N1CCOCC1 ZINC000912961553 852921058 /nfs/dbraw/zinc/92/10/58/852921058.db2.gz BKIZTNIIRIQUNM-LANLRWRYSA-N -1 3 389.293 3.647 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000029330546 852993185 /nfs/dbraw/zinc/99/31/85/852993185.db2.gz XNAGXODMOCRTDD-UHFFFAOYSA-N -1 3 385.489 3.674 20 30 GHEDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000055595618 855051483 /nfs/dbraw/zinc/05/14/83/855051483.db2.gz CIGQEAOCJITMSB-UHFFFAOYSA-N -1 3 388.342 3.748 20 30 GHEDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055567511 855347272 /nfs/dbraw/zinc/34/72/72/855347272.db2.gz KSVUHWJXYZPQFA-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1F ZINC000029052868 856185086 /nfs/dbraw/zinc/18/50/86/856185086.db2.gz QZPRENSTLTYYTR-UHFFFAOYSA-N -1 3 382.844 3.504 20 30 GHEDHM COc1ccc(CN=Nc2ncnc3sccc32)c(Br)c1[O-] ZINC000761013677 857328559 /nfs/dbraw/zinc/32/85/59/857328559.db2.gz BJRZTWQQUAOKJP-UHFFFAOYSA-N -1 3 379.239 3.614 20 30 GHEDHM Cc1nsc([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)c1C#N ZINC001128421906 858338638 /nfs/dbraw/zinc/33/86/38/858338638.db2.gz OTRCXLQNNHMLDR-UHFFFAOYSA-N -1 3 386.868 3.933 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000184937333 859022618 /nfs/dbraw/zinc/02/26/18/859022618.db2.gz VSWQSYUPFXFHAQ-UHFFFAOYSA-N -1 3 397.456 3.831 20 30 GHEDHM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nccc2ccccc21 ZINC000483197105 859208178 /nfs/dbraw/zinc/20/81/78/859208178.db2.gz OUKFPNGZDOJYJK-IBGZPJMESA-N -1 3 383.367 3.819 20 30 GHEDHM CN(CC#Cc1ccccc1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000483589169 859469373 /nfs/dbraw/zinc/46/93/73/859469373.db2.gz FTTDXFLOVAYJCT-UHFFFAOYSA-N -1 3 390.508 3.971 20 30 GHEDHM CSc1ccc([O-])c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000597539753 859617816 /nfs/dbraw/zinc/61/78/16/859617816.db2.gz FEHHIEJBPHWIRM-UHFFFAOYSA-N -1 3 383.473 3.501 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)c(C)ccc2Cl)ccc1F ZINC000765180948 859820100 /nfs/dbraw/zinc/82/01/00/859820100.db2.gz CAVBPESPUSSYLH-UHFFFAOYSA-N -1 3 396.871 3.813 20 30 GHEDHM CCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC000904174247 860204001 /nfs/dbraw/zinc/20/40/01/860204001.db2.gz XVTQPRROFUPTJZ-UHFFFAOYSA-N -1 3 384.451 3.876 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N([O-])Cc1ccccc1Cl ZINC000904190539 860215802 /nfs/dbraw/zinc/21/58/02/860215802.db2.gz MUAUHXIEMCBKMR-LBPRGKRZSA-N -1 3 378.803 3.606 20 30 GHEDHM CC(C)(CC#N)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000184816155 864963493 /nfs/dbraw/zinc/96/34/93/864963493.db2.gz NAHLYKNGCRXVRL-UHFFFAOYSA-N -1 3 390.436 3.723 20 30 GHEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000172088710 865485443 /nfs/dbraw/zinc/48/54/43/865485443.db2.gz RKHWCVYAOGGCOF-KRWDZBQOSA-N -1 3 379.441 3.720 20 30 GHEDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000555128813 865544552 /nfs/dbraw/zinc/54/45/52/865544552.db2.gz DWZHSJZTEFSSBC-UHFFFAOYSA-N -1 3 383.404 3.994 20 30 GHEDHM CN(Cc1ccc(C#N)o1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127184520 866029794 /nfs/dbraw/zinc/02/97/94/866029794.db2.gz MQUZBLWHRPUXCK-UHFFFAOYSA-N -1 3 381.457 3.584 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCCCC1 ZINC000534403700 866725812 /nfs/dbraw/zinc/72/58/12/866725812.db2.gz LDWZJLKSKVUWHY-ZDUSSCGKSA-N -1 3 391.718 3.853 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccccc1OC ZINC000155893665 868170602 /nfs/dbraw/zinc/17/06/02/868170602.db2.gz PVAUSAICYYIWLH-ZDUSSCGKSA-N -1 3 383.477 3.797 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cncc2ccccc12 ZINC000772836823 882404880 /nfs/dbraw/zinc/40/48/80/882404880.db2.gz GVGYOFCOGZICAB-SFHVURJKSA-N -1 3 389.440 3.510 20 30 GHEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1ccc(OC(C)C)cc1 ZINC000122271969 882497300 /nfs/dbraw/zinc/49/73/00/882497300.db2.gz KIPROSZUSAFRLG-KRWDZBQOSA-N -1 3 375.432 3.502 20 30 GHEDHM C[Si](C)(C)C#Cc1cccc([N-]S(=O)(=O)Cc2noc3ccccc32)c1 ZINC001194100346 871505142 /nfs/dbraw/zinc/50/51/42/871505142.db2.gz CWMZMWQCFPVWDT-UHFFFAOYSA-N -1 3 384.533 3.999 20 30 GHEDHM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000619126645 872325290 /nfs/dbraw/zinc/32/52/90/872325290.db2.gz JUMAARVQNDGOMQ-UHFFFAOYSA-N -1 3 386.271 3.880 20 30 GHEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000130138882 872802717 /nfs/dbraw/zinc/80/27/17/872802717.db2.gz LYYDIKKUZJWWTR-GFCCVEGCSA-N -1 3 375.743 3.657 20 30 GHEDHM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196690432 873330025 /nfs/dbraw/zinc/33/00/25/873330025.db2.gz MNQRXCPPIICZFJ-UHFFFAOYSA-N -1 3 396.653 3.647 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)c(F)c1 ZINC000768763922 873534555 /nfs/dbraw/zinc/53/45/55/873534555.db2.gz RMNTYNGLMDDOIG-KRWDZBQOSA-N -1 3 396.418 3.698 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(SC)ccc2C)ccc1F ZINC000775809382 874165805 /nfs/dbraw/zinc/16/58/05/874165805.db2.gz UROGKPBOFQXPTB-UHFFFAOYSA-N -1 3 394.493 3.573 20 30 GHEDHM N#CC12CCC([N-]S(=O)(=O)c3ncccc3OCc3ccccc3)(CC1)CC2 ZINC001201902534 875918931 /nfs/dbraw/zinc/91/89/31/875918931.db2.gz ORFBZQPMVPYAGS-UHFFFAOYSA-N -1 3 397.500 3.555 20 30 GHEDHM CC(C)(C#N)CCOC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000776375948 876344863 /nfs/dbraw/zinc/34/48/63/876344863.db2.gz UXXDKKSDRDTNIV-LJQANCHMSA-N -1 3 380.444 3.736 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC000530043835 877023595 /nfs/dbraw/zinc/02/35/95/877023595.db2.gz OGTVKVAALFHYQC-UHFFFAOYSA-N -1 3 379.460 3.951 20 30 GHEDHM COc1cc(Br)ccc1[C@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000787142917 877192261 /nfs/dbraw/zinc/19/22/61/877192261.db2.gz YHCCSVQNIRUXMG-ZICXGBCOSA-N -1 3 379.254 3.539 20 30 GHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C#N)ccc2Cl)[nH][n-]1 ZINC000493671150 879591619 /nfs/dbraw/zinc/59/16/19/879591619.db2.gz XBBLTYDGFUPYSF-UHFFFAOYSA-N -1 3 387.226 3.938 20 30 GHEDHM N#CC1(c2ccc(CN3CCN(Cc4ccc([O-])c(Cl)c4)CC3)cc2)CC1 ZINC001183407170 912481883 /nfs/dbraw/zinc/48/18/83/912481883.db2.gz FPZYZFUUHTYNAA-UHFFFAOYSA-N -1 3 381.907 3.919 20 30 GHEDHM C[C@]1(C2CC2)NC(=O)N(c2cccc(CN=Cc3cc(Cl)ccc3[O-])c2)C1=O ZINC000790572885 879832326 /nfs/dbraw/zinc/83/23/26/879832326.db2.gz BVDJXKUNUOELID-IVZMSFFOSA-N -1 3 397.862 3.890 20 30 GHEDHM C[C@]1(C2CC2)NC(=O)N(c2ccc(CN=Cc3cc(Cl)ccc3[O-])cc2)C1=O ZINC000790575581 879863388 /nfs/dbraw/zinc/86/33/88/879863388.db2.gz UHDVLSPRYNXPAB-OVRHDEQLSA-N -1 3 397.862 3.890 20 30 GHEDHM C=CCCNC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000855380643 880488073 /nfs/dbraw/zinc/48/80/73/880488073.db2.gz FUDSIDDGGZXXSK-LLVKDONJSA-N -1 3 393.336 3.766 20 30 GHEDHM C=CCC(CC=C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170972 881009663 /nfs/dbraw/zinc/00/96/63/881009663.db2.gz PZOLYMGWWMPSHZ-QZTJIDSGSA-N -1 3 394.437 3.818 20 30 GHEDHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(F)cc1C ZINC000551383567 883768171 /nfs/dbraw/zinc/76/81/71/883768171.db2.gz JXICFTRJFMGCRU-UHFFFAOYSA-N -1 3 396.827 3.637 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)sc1Br ZINC000542517092 884051161 /nfs/dbraw/zinc/05/11/61/884051161.db2.gz HETVRWXROBRAQR-NOZJJQNGSA-N -1 3 377.329 3.570 20 30 GHEDHM C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000805782445 884064587 /nfs/dbraw/zinc/06/45/87/884064587.db2.gz LOWNQRRPEFEMSS-MRXNPFEDSA-N -1 3 387.277 3.589 20 30 GHEDHM C[C@@H]1C[C@@H](C)CN(c2ccc(C([O-])=C(C#N)c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000249523436 912878031 /nfs/dbraw/zinc/87/80/31/912878031.db2.gz PZZGBACKIKLIFA-BFYDXBDKSA-N -1 3 378.432 3.962 20 30 GHEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000487386847 885595792 /nfs/dbraw/zinc/59/57/92/885595792.db2.gz CQEYSTMGACYUOX-HNNXBMFYSA-N -1 3 385.272 3.531 20 30 GHEDHM CC(C)(C)OC(=O)c1cccnc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001131158271 886063177 /nfs/dbraw/zinc/06/31/77/886063177.db2.gz BEHNPAZTSARNFE-UHFFFAOYSA-N -1 3 390.399 3.816 20 30 GHEDHM N#Cc1cccc(OCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000053210857 886215602 /nfs/dbraw/zinc/21/56/02/886215602.db2.gz PCFSWWGTDKYUDB-UHFFFAOYSA-N -1 3 389.440 3.564 20 30 GHEDHM COc1ccc(-n2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)nn2)cc1 ZINC001184246521 913096776 /nfs/dbraw/zinc/09/67/76/913096776.db2.gz ITDQAPGULSQIJV-UHFFFAOYSA-N -1 3 393.230 3.614 20 30 GHEDHM Cc1cccc2c1ncn(CCC(=O)N([O-])Cc1cccc3ccccc31)c2=O ZINC001184340117 913158011 /nfs/dbraw/zinc/15/80/11/913158011.db2.gz KUMZLLLBJYFEQI-UHFFFAOYSA-N -1 3 387.439 3.666 20 30 GHEDHM CSc1ncc(C(=O)N([O-])Cc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC001184347883 913160077 /nfs/dbraw/zinc/16/00/77/913160077.db2.gz HYPLUAIOJARXNO-UHFFFAOYSA-N -1 3 375.400 3.904 20 30 GHEDHM COc1cc(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)c(OC)cc1[O-] ZINC000763104286 887665388 /nfs/dbraw/zinc/66/53/88/887665388.db2.gz CHBBUHWEANKKSJ-VMPITWQZSA-N -1 3 378.384 3.888 20 30 GHEDHM C=C(Cl)C[C@@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000864519747 887823660 /nfs/dbraw/zinc/82/36/60/887823660.db2.gz YFPRIHAEPKVYQY-LLVKDONJSA-N -1 3 384.604 3.736 20 30 GHEDHM Cc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 ZINC000763207461 888289746 /nfs/dbraw/zinc/28/97/46/888289746.db2.gz AFXWHKNDEDXTJC-ZDUSSCGKSA-N -1 3 388.518 3.757 20 30 GHEDHM COCCOc1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cc1OC ZINC000915993134 888612684 /nfs/dbraw/zinc/61/26/84/888612684.db2.gz KDDUWUQRXJIYMB-XQRVVYSFSA-N -1 3 392.835 3.984 20 30 GHEDHM N#Cc1ccnc(N2CCC[C@H](OC(=O)c3cc4cc(Cl)sc4[n-]3)C2)c1 ZINC000810715047 888789715 /nfs/dbraw/zinc/78/97/15/888789715.db2.gz VALXWCSOMGIATP-ZDUSSCGKSA-N -1 3 386.864 3.975 20 30 GHEDHM CC(=NNc1ccc2ccccc2n1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916286740 888892391 /nfs/dbraw/zinc/89/23/91/888892391.db2.gz SESSRHKEYKWLSP-UHFFFAOYSA-N -1 3 376.460 3.609 20 30 GHEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(OC)c1C(C)C ZINC000496733227 889041492 /nfs/dbraw/zinc/04/14/92/889041492.db2.gz CMWGPMNDVRAQOU-UHFFFAOYSA-N -1 3 397.475 3.988 20 30 GHEDHM C=CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000916611480 889183580 /nfs/dbraw/zinc/18/35/80/889183580.db2.gz NGOLZFVDDCWNLB-JTQLQIEISA-N -1 3 380.293 3.803 20 30 GHEDHM N#CCCCN1CCC2(CCN(Cc3cc(Cl)c([O-])c(Cl)c3)CC2)C1=O ZINC001275321415 913335365 /nfs/dbraw/zinc/33/53/65/913335365.db2.gz BKASKXFLDAQFHH-UHFFFAOYSA-N -1 3 396.318 3.817 20 30 GHEDHM C=CC[C@H](CC)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868575085 889509876 /nfs/dbraw/zinc/50/98/76/889509876.db2.gz YLBNFSHKXHCHSL-KGLIPLIRSA-N -1 3 383.414 3.723 20 30 GHEDHM CN(C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1)C1(C#N)CCCCC1 ZINC000811394544 889535649 /nfs/dbraw/zinc/53/56/49/889535649.db2.gz USPZMIHQKQYPNT-UHFFFAOYSA-N -1 3 379.869 3.724 20 30 GHEDHM Cc1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Br ZINC001132994263 889968303 /nfs/dbraw/zinc/96/83/03/889968303.db2.gz KFKXZADTMBSHMI-UHFFFAOYSA-N -1 3 389.249 3.885 20 30 GHEDHM Fc1ccc(C=CC=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000747747330 890016020 /nfs/dbraw/zinc/01/60/20/890016020.db2.gz RCUSUHKKCQLBNU-JPGUUKFISA-N -1 3 382.420 3.766 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c(C#N)cc1N(C)C ZINC000811833096 890018990 /nfs/dbraw/zinc/01/89/90/890018990.db2.gz LXTPHNNEKYFYCJ-BQYQJAHWSA-N -1 3 375.881 3.999 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000497075655 890113468 /nfs/dbraw/zinc/11/34/68/890113468.db2.gz BFKVVPOEQMARDJ-MRXNPFEDSA-N -1 3 383.879 3.878 20 30 GHEDHM Cc1nc([C@H]2CCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000870136991 890225922 /nfs/dbraw/zinc/22/59/22/890225922.db2.gz UIZQLDITAYLGCB-SMDDNHRTSA-N -1 3 389.864 3.570 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(SC)c([N+](=O)[O-])c1 ZINC000916922813 890394156 /nfs/dbraw/zinc/39/41/56/890394156.db2.gz ISIXYXQWWQHCOY-CYBMUJFWSA-N -1 3 399.428 3.677 20 30 GHEDHM CCSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000825674058 891567080 /nfs/dbraw/zinc/56/70/80/891567080.db2.gz HGUORLHTDGZVEV-RMKNXTFCSA-N -1 3 376.445 3.523 20 30 GHEDHM CCSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000825674058 891567093 /nfs/dbraw/zinc/56/70/93/891567093.db2.gz HGUORLHTDGZVEV-RMKNXTFCSA-N -1 3 376.445 3.523 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000729820285 892254314 /nfs/dbraw/zinc/25/43/14/892254314.db2.gz LAAIFROTDFIQAJ-BQYQJAHWSA-N -1 3 395.864 3.712 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000814859590 893241397 /nfs/dbraw/zinc/24/13/97/893241397.db2.gz WZMLIFQYDBJLKU-UHFFFAOYSA-N -1 3 385.514 3.696 20 30 GHEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC001137177186 896751722 /nfs/dbraw/zinc/75/17/22/896751722.db2.gz GVQOPBZDUDVJDS-UHFFFAOYSA-N -1 3 396.790 3.766 20 30 GHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)c(F)c1 ZINC000819773170 897001412 /nfs/dbraw/zinc/00/14/12/897001412.db2.gz QLSBNEHFNYTQTP-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)c(F)c1 ZINC000819773170 897001427 /nfs/dbraw/zinc/00/14/27/897001427.db2.gz QLSBNEHFNYTQTP-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000820471317 897348422 /nfs/dbraw/zinc/34/84/22/897348422.db2.gz SCWNIORSBFORBC-KRWDZBQOSA-N -1 3 390.892 3.742 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)cc1 ZINC000131235613 897375998 /nfs/dbraw/zinc/37/59/98/897375998.db2.gz RYCCWIZWIOWWMN-BEFAXECRSA-N -1 3 387.443 3.742 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1cccc(Cl)c1 ZINC000822016347 898170989 /nfs/dbraw/zinc/17/09/89/898170989.db2.gz YAQIFYUMNAXJOF-WAYWQWQTSA-N -1 3 396.863 3.972 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1-c1cccc(Cl)c1 ZINC000822016347 898171001 /nfs/dbraw/zinc/17/10/01/898171001.db2.gz YAQIFYUMNAXJOF-WAYWQWQTSA-N -1 3 396.863 3.972 20 30 GHEDHM N#C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000826380011 898810910 /nfs/dbraw/zinc/81/09/10/898810910.db2.gz KFHUAXVGWAGYAW-CQSZACIVSA-N -1 3 379.342 3.515 20 30 GHEDHM N#C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000826380011 898810923 /nfs/dbraw/zinc/81/09/23/898810923.db2.gz KFHUAXVGWAGYAW-CQSZACIVSA-N -1 3 379.342 3.515 20 30 GHEDHM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570813675 899611004 /nfs/dbraw/zinc/61/10/04/899611004.db2.gz GRJQOQAWNGOBGJ-LLVKDONJSA-N -1 3 390.365 3.633 20 30 GHEDHM Cc1coc(-c2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc2C)n1 ZINC000120699460 899871097 /nfs/dbraw/zinc/87/10/97/899871097.db2.gz VHZJBEWTOVGDNS-UHFFFAOYSA-N -1 3 390.443 3.707 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2c(Br)cccc21 ZINC000826475270 900804059 /nfs/dbraw/zinc/80/40/59/900804059.db2.gz ARKUBNJGSWPBEX-CMDGGOBGSA-N -1 3 387.262 3.903 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158181507 901095799 /nfs/dbraw/zinc/09/57/99/901095799.db2.gz IWQDYINLNGCTQR-QOJWJBQSSA-N -1 3 380.673 3.901 20 30 GHEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)n1ccc2ccccc2c1=O ZINC000845844564 902409573 /nfs/dbraw/zinc/40/95/73/902409573.db2.gz SEMMIPPYZFUUJJ-OXJNMPFZSA-N -1 3 384.435 3.572 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CSc1ccc2c(c1)OCCO2 ZINC000845842880 902409811 /nfs/dbraw/zinc/40/98/11/902409811.db2.gz WAKJBECQHRDDMZ-QGZVFWFLSA-N -1 3 393.464 3.560 20 30 GHEDHM N#CC(C(=O)CCOCC(F)(F)C(F)(F)F)=C([O-])C1(c2ccccc2)CC1 ZINC000845846409 902415792 /nfs/dbraw/zinc/41/57/92/902415792.db2.gz TYCIDKLCSUMYAS-CYBMUJFWSA-N -1 3 389.320 3.600 20 30 GHEDHM Cc1nc2cc(F)c(F)cc2n1CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845847068 902492558 /nfs/dbraw/zinc/49/25/58/902492558.db2.gz XWPFONHAIOZBSO-OAHLLOKOSA-N -1 3 393.393 3.633 20 30 GHEDHM Cc1nc2cc(F)c(F)cc2n1CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845847068 902492564 /nfs/dbraw/zinc/49/25/64/902492564.db2.gz XWPFONHAIOZBSO-OAHLLOKOSA-N -1 3 393.393 3.633 20 30 GHEDHM C=CCOc1ccc(C(=O)Nc2c(C)c([O-])c(C(=O)OCC)cc2C#N)cc1 ZINC001148464152 904078536 /nfs/dbraw/zinc/07/85/36/904078536.db2.gz YCEYEMAJCABZFL-UHFFFAOYSA-N -1 3 380.400 3.566 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001171369594 904366928 /nfs/dbraw/zinc/36/69/28/904366928.db2.gz VSWSEBCWQSAJKZ-KKSFZXQISA-N -1 3 386.455 3.899 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000174453843 905274769 /nfs/dbraw/zinc/27/47/69/905274769.db2.gz DPTCXWHKDIEQPX-ASSNKEHSSA-N -1 3 381.451 3.545 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000174490085 905281493 /nfs/dbraw/zinc/28/14/93/905281493.db2.gz UWZUEWBHXSUKHQ-UHFFFAOYSA-N -1 3 384.867 3.662 20 30 GHEDHM O=C([N-]CCCN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000801589724 921170667 /nfs/dbraw/zinc/17/06/67/921170667.db2.gz UUHGDHSOVCMWPD-CQSZACIVSA-N -1 3 386.311 3.645 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(cccc2Cl)s1 ZINC000192173876 907497328 /nfs/dbraw/zinc/49/73/28/907497328.db2.gz QADCJTWUAZPDGB-UHFFFAOYSA-N -1 3 386.864 3.698 20 30 GHEDHM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1ncccc1C(F)(F)F ZINC000633729498 908450631 /nfs/dbraw/zinc/45/06/31/908450631.db2.gz MXRZDKGFEOLCBI-UHFFFAOYSA-N -1 3 392.231 3.858 20 30 GHEDHM C=C(C)COc1cc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)ccc1OC ZINC000901871183 921665207 /nfs/dbraw/zinc/66/52/07/921665207.db2.gz MRCSWOXIUCFYNH-UHFFFAOYSA-N -1 3 399.491 3.690 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2SC[C@H](O)C(F)(F)F)ccc1[O-] ZINC001187803057 915523172 /nfs/dbraw/zinc/52/31/72/915523172.db2.gz LRIMNJJQXWSRFI-HNNXBMFYSA-N -1 3 382.363 3.531 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OCc2ccccc2)c1 ZINC001190612128 917447452 /nfs/dbraw/zinc/44/74/52/917447452.db2.gz ZHLZELGRGJOPGY-RTBURBONSA-N -1 3 388.464 3.504 20 30 GHEDHM C=CCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1cccnc1 ZINC000363375909 918172790 /nfs/dbraw/zinc/17/27/90/918172790.db2.gz FGIJRUBRSUTAMF-UHFFFAOYSA-N -1 3 392.444 3.574 20 30 GHEDHM COC(=O)c1sc2c(c1[N-]C(=O)c1c(F)cc(C#N)cc1F)CCCC2 ZINC001191906883 918265390 /nfs/dbraw/zinc/26/53/90/918265390.db2.gz FVKXZSHCFOHULC-UHFFFAOYSA-N -1 3 376.384 3.816 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1c(C)noc1C ZINC000119274683 919615194 /nfs/dbraw/zinc/61/51/94/919615194.db2.gz HWYGGWOGAXIHTH-CYBMUJFWSA-N -1 3 387.383 3.612 20 30 GHEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3cc(Cn4cccn4)on3)sc2CC[C@@H]1C ZINC000297915141 919955123 /nfs/dbraw/zinc/95/51/23/919955123.db2.gz RTNCXLZDIFWQFT-NWDGAFQWSA-N -1 3 381.461 3.791 20 30 GHEDHM O=C(c1cn(-c2ccc(Br)cc2)cn1)N([O-])Cc1ccc(F)cc1 ZINC000901372173 921047737 /nfs/dbraw/zinc/04/77/37/921047737.db2.gz TWIKQVLSEHJXHU-UHFFFAOYSA-N -1 3 390.212 3.806 20 30 GHEDHM O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N([O-])Cc1ccc(F)cc1 ZINC000901372932 921049480 /nfs/dbraw/zinc/04/94/80/921049480.db2.gz POGYKQKKXZFGFM-HYVNUMGLSA-N -1 3 376.225 3.892 20 30 GHEDHM C=CCOc1c(Br)cc(CN2CCCCC[C@H]2C(=O)[O-])cc1OC ZINC000902039001 921830457 /nfs/dbraw/zinc/83/04/57/921830457.db2.gz HSAHUYUEOMKUPA-HNNXBMFYSA-N -1 3 398.297 3.852 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2c(F)c(F)c(F)cc21 ZINC000411061961 926031624 /nfs/dbraw/zinc/03/16/24/926031624.db2.gz NIRAQENSLDEANR-UHFFFAOYSA-N -1 3 389.377 3.605 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nc(-c2ccccc2)cs1 ZINC000751075598 928014582 /nfs/dbraw/zinc/01/45/82/928014582.db2.gz RBUVFFDSEHCFHH-LBPRGKRZSA-N -1 3 387.461 3.860 20 30 GHEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000753413563 929340229 /nfs/dbraw/zinc/34/02/29/929340229.db2.gz BNICGQUQFIDAIM-UHFFFAOYSA-N -1 3 392.806 3.941 20 30 GHEDHM N#Cc1cc(F)c(C=Nn2c(SCc3ccccc3)n[n-]c2=S)c(F)c1 ZINC000782171191 931107993 /nfs/dbraw/zinc/10/79/93/931107993.db2.gz SEDIJCHTJKJPSD-UHFFFAOYSA-N -1 3 387.440 3.891 20 30 GHEDHM CC[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1cccc(C#N)c1[O-] ZINC000924589050 931432933 /nfs/dbraw/zinc/43/29/33/931432933.db2.gz XANTXYCRTDKVFK-AWEZNQCLSA-N -1 3 375.354 3.566 20 30 GHEDHM Fc1cc(Cl)ccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000783510411 931568709 /nfs/dbraw/zinc/56/87/09/931568709.db2.gz ZZRCTNZSAGVFLV-HNNXBMFYSA-N -1 3 390.827 3.754 20 30 GHEDHM C=CC[C@H](CCc1ccccc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000797565559 932329417 /nfs/dbraw/zinc/32/94/17/932329417.db2.gz WOZDNUIUPAQCDW-QGZVFWFLSA-N -1 3 391.464 3.932 20 30 GHEDHM CC(=NOCCC(F)(F)F)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799885515 933151584 /nfs/dbraw/zinc/15/15/84/933151584.db2.gz HWYMQTSYGQSBSO-UHFFFAOYSA-N -1 3 377.160 3.984 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC001122414472 934864825 /nfs/dbraw/zinc/86/48/25/934864825.db2.gz FNLOEHFAVFQIOZ-AWEZNQCLSA-N -1 3 391.399 3.756 20 30 GHEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573587199 947302917 /nfs/dbraw/zinc/30/29/17/947302917.db2.gz XSEIMOWZIRZAOK-LBPRGKRZSA-N -1 3 389.419 3.679 20 30 GHEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573587199 947302924 /nfs/dbraw/zinc/30/29/24/947302924.db2.gz XSEIMOWZIRZAOK-LBPRGKRZSA-N -1 3 389.419 3.679 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001573330036 947430195 /nfs/dbraw/zinc/43/01/95/947430195.db2.gz SMQQARDRRQJGSG-AAEUAGOBSA-N -1 3 392.410 3.725 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001573330036 947430203 /nfs/dbraw/zinc/43/02/03/947430203.db2.gz SMQQARDRRQJGSG-AAEUAGOBSA-N -1 3 392.410 3.725 20 30 GHEDHM C=CCCC1(CNC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CCCC1 ZINC001573335082 947472141 /nfs/dbraw/zinc/47/21/41/947472141.db2.gz WARBPIZJHMGXAR-UHFFFAOYSA-N -1 3 383.471 3.680 20 30 GHEDHM C=CCCC1(CNC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CCCC1 ZINC001573335082 947472146 /nfs/dbraw/zinc/47/21/46/947472146.db2.gz WARBPIZJHMGXAR-UHFFFAOYSA-N -1 3 383.471 3.680 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001573335179 947474313 /nfs/dbraw/zinc/47/43/13/947474313.db2.gz NLLRAEWXWVKMFG-HOTGVXAUSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001573335179 947474321 /nfs/dbraw/zinc/47/43/21/947474321.db2.gz NLLRAEWXWVKMFG-HOTGVXAUSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001573335997 947496254 /nfs/dbraw/zinc/49/62/54/947496254.db2.gz YKAKGUUPJRCZBD-INIZCTEOSA-N -1 3 391.475 3.920 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001573335997 947496259 /nfs/dbraw/zinc/49/62/59/947496259.db2.gz YKAKGUUPJRCZBD-INIZCTEOSA-N -1 3 391.475 3.920 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OCC)cc1F ZINC001573342144 947538231 /nfs/dbraw/zinc/53/82/31/947538231.db2.gz UPYBTUBXISZXQB-UHFFFAOYSA-N -1 3 396.426 3.625 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OCC)cc1F ZINC001573342144 947538238 /nfs/dbraw/zinc/53/82/38/947538238.db2.gz UPYBTUBXISZXQB-UHFFFAOYSA-N -1 3 396.426 3.625 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(F)cc1C ZINC001573342458 947541437 /nfs/dbraw/zinc/54/14/37/947541437.db2.gz YUSWDXIPPQFFES-HNNXBMFYSA-N -1 3 394.454 3.773 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(F)cc1C ZINC001573342458 947541449 /nfs/dbraw/zinc/54/14/49/947541449.db2.gz YUSWDXIPPQFFES-HNNXBMFYSA-N -1 3 394.454 3.773 20 30 GHEDHM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001575869082 949468791 /nfs/dbraw/zinc/46/87/91/949468791.db2.gz PHDBGRMSZUEHFN-XPUUQOCRSA-N -1 3 383.271 3.802 20 30 GHEDHM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001575869082 949468809 /nfs/dbraw/zinc/46/88/09/949468809.db2.gz PHDBGRMSZUEHFN-XPUUQOCRSA-N -1 3 383.271 3.802 20 30 GHEDHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000468367975 1015633798 /nfs/dbraw/zinc/63/37/98/1015633798.db2.gz LKYKCFGRLGHFFT-UHFFFAOYSA-N -1 3 397.500 3.633 20 30 GHEDHM C=CCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000468369820 1015636259 /nfs/dbraw/zinc/63/62/59/1015636259.db2.gz BEXDPQAKHVIZOS-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM Cc1cc(Oc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)n[nH]1 ZINC000469019886 1016344014 /nfs/dbraw/zinc/34/40/14/1016344014.db2.gz PXFKQUZZRMOLFD-UHFFFAOYSA-N -1 3 391.431 3.671 20 30 GHEDHM CCCC[C@H](CC)COCCCNC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154559323 1032181418 /nfs/dbraw/zinc/18/14/18/1032181418.db2.gz LGHUXWHBADHRFR-INIZCTEOSA-N -1 3 383.492 3.753 20 30 GHEDHM CN1[C@@H]2C[C@@H](Oc3nc(=S)[n-]c4scc(-c5ccccc5)c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227101964 1032271385 /nfs/dbraw/zinc/27/13/85/1032271385.db2.gz ZENGUCKOHMQDHW-BSTOKRDTSA-N -1 3 397.525 3.638 20 30 GHEDHM CC(C)(C)OC(=O)n1ncc2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cc21 ZINC001155327321 1032506246 /nfs/dbraw/zinc/50/62/46/1032506246.db2.gz JYSMZEHBSUPDCC-UHFFFAOYSA-N -1 3 378.388 3.649 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(OC(C)(C)C)c1 ZINC000834540000 1021256862 /nfs/dbraw/zinc/25/68/62/1021256862.db2.gz KAAOAWFIIUMZLN-UHFFFAOYSA-N -1 3 381.476 3.702 20 30 GHEDHM Cc1ccc(Br)c(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000839435637 1025925926 /nfs/dbraw/zinc/92/59/26/1025925926.db2.gz FNVUAWJXVVEKNW-UHFFFAOYSA-N -1 3 389.249 3.885 20 30 GHEDHM CN(C)c1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc2ccccc21 ZINC001163764864 1026307798 /nfs/dbraw/zinc/30/77/98/1026307798.db2.gz BYEGPRRXPUTBGK-UHFFFAOYSA-N -1 3 391.353 3.842 20 30 GHEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)OC ZINC001213385359 1028155018 /nfs/dbraw/zinc/15/50/18/1028155018.db2.gz RMHGBVLRDVOLCA-LJQANCHMSA-N -1 3 379.522 3.662 20 30 GHEDHM N#Cc1cccc(-c2noc(-c3cc([O-])ccc3I)n2)c1 ZINC001216943407 1030016173 /nfs/dbraw/zinc/01/61/73/1030016173.db2.gz UCCMITLGPNAGDY-UHFFFAOYSA-N -1 3 389.152 3.585 20 30 GHEDHM Cn1c(C(=O)N([O-])C(=N)c2ccccc2N)cc2cc(C(F)(F)F)ccc21 ZINC001157110295 1033417934 /nfs/dbraw/zinc/41/79/34/1033417934.db2.gz FIRNGNZGGSKGEG-UHFFFAOYSA-N -1 3 376.338 3.636 20 30 GHEDHM C=CCOC(=O)N1CCC2(CN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)CC1 ZINC001231524049 1034677479 /nfs/dbraw/zinc/67/74/79/1034677479.db2.gz LGJZGGURZZVLLA-UHFFFAOYSA-N -1 3 384.398 3.631 20 30 GHEDHM N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)c([O-])c3)CC2)cc1 ZINC001231735588 1034871269 /nfs/dbraw/zinc/87/12/69/1034871269.db2.gz QJYGVCZVZZYHAG-UHFFFAOYSA-N -1 3 384.867 3.703 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC001209344227 1035246894 /nfs/dbraw/zinc/24/68/94/1035246894.db2.gz ZCLWSVRQZOYLAA-GFCCVEGCSA-N -1 3 387.461 3.860 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC001209344230 1035246960 /nfs/dbraw/zinc/24/69/60/1035246960.db2.gz ZCLWSVRQZOYLAA-LBPRGKRZSA-N -1 3 387.461 3.860 20 30 GHEDHM O=C(c1ccccc1)N1CC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001161783011 1035301086 /nfs/dbraw/zinc/30/10/86/1035301086.db2.gz DIVSHKQKURPITB-HNNXBMFYSA-N -1 3 393.270 3.874 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(C#N)ccc2[O-])C[C@H]1C(F)(F)F ZINC001232677329 1038475838 /nfs/dbraw/zinc/47/58/38/1038475838.db2.gz AYGMVZLDUMRJAI-CABCVRRESA-N -1 3 399.413 3.541 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)CN(Cc2ccc(C#N)cc2[O-])C1 ZINC001233387118 1039210853 /nfs/dbraw/zinc/21/08/53/1039210853.db2.gz VOUYKHZDTINIJK-CABCVRRESA-N -1 3 399.413 3.541 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001233798854 1039623266 /nfs/dbraw/zinc/62/32/66/1039623266.db2.gz BCOKAFVJQGCYNY-MAETVRKBSA-N -1 3 376.453 3.672 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1F ZINC001233799416 1039625658 /nfs/dbraw/zinc/62/56/58/1039625658.db2.gz JMJJGUHJXLXRSM-OKXISJGUSA-N -1 3 382.432 3.620 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1Br ZINC001258282866 1044490013 /nfs/dbraw/zinc/49/00/13/1044490013.db2.gz CXONZZSFBFBEMI-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C3=CC(=O)CC(C)(C)C3)s2)cs1 ZINC001259985325 1045341888 /nfs/dbraw/zinc/34/18/88/1045341888.db2.gz CEYWSTVMGJQHNM-UHFFFAOYSA-N -1 3 382.532 3.731 20 30 GHEDHM Cc1c(Br)ccc([O-])c1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001298513218 1045844180 /nfs/dbraw/zinc/84/41/80/1045844180.db2.gz IXZJWROFAKWWTA-YWEYNIOJSA-N -1 3 378.197 3.823 20 30 GHEDHM O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N([O-])CCCCc1ccccc1 ZINC001306896089 1048949777 /nfs/dbraw/zinc/94/97/77/1048949777.db2.gz JLLMAIPOXOCBEP-LJQANCHMSA-N -1 3 386.879 3.934 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC(F)(F)CC2)cc1 ZINC001336093564 1052226684 /nfs/dbraw/zinc/22/66/84/1052226684.db2.gz GRZJIBYIMCFVKR-UHFFFAOYSA-N -1 3 382.354 3.541 20 30 GHEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1C ZINC001343364747 1053727855 /nfs/dbraw/zinc/72/78/55/1053727855.db2.gz DHCAPXBBFKHOEG-QGZVFWFLSA-N -1 3 388.427 3.736 20 30 GHEDHM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(CN2CCCCC2)o1)c1ccccc1 ZINC001345886829 1055313268 /nfs/dbraw/zinc/31/32/68/1055313268.db2.gz HUDDWSLHXHIBCP-UXHICEINSA-N -1 3 393.487 3.855 20 30 GHEDHM O=C(NCC(=O)N([O-])CCCCc1ccccc1)c1ccccc1C(F)(F)F ZINC001472619257 1056574296 /nfs/dbraw/zinc/57/42/96/1056574296.db2.gz DHFDKVRIEJFJTG-UHFFFAOYSA-N -1 3 394.393 3.676 20 30 GHEDHM C[C@@H]1CCc2nc([N-]C(=O)c3nscc3Br)c(C#N)cc2C1 ZINC001338375526 1058534951 /nfs/dbraw/zinc/53/49/51/1058534951.db2.gz DZHCDUGSPOOVML-MRVPVSSYSA-N -1 3 377.267 3.549 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(SC)CC1 ZINC001338790780 1058788460 /nfs/dbraw/zinc/78/84/60/1058788460.db2.gz QRKKETISGSKRAB-UHFFFAOYSA-N -1 3 387.534 3.778 20 30 GHEDHM N#Cc1ccc(OC2CN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C2)cc1 ZINC001447480053 1059969981 /nfs/dbraw/zinc/96/99/81/1059969981.db2.gz UJKRPWLJLJNLAV-UHFFFAOYSA-N -1 3 386.407 3.960 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC001450273785 1060567566 /nfs/dbraw/zinc/56/75/66/1060567566.db2.gz TYRKBHNAUMIHFZ-HNNXBMFYSA-N -1 3 394.855 3.740 20 30 GHEDHM N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc4sccc4c([O-])c3)C2)nc1 ZINC001456060921 1062457514 /nfs/dbraw/zinc/45/75/14/1062457514.db2.gz JXWGMFZLUULTPM-HNNXBMFYSA-N -1 3 378.457 3.590 20 30 GHEDHM CCCS(=O)(=O)Nc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001458002470 1063499596 /nfs/dbraw/zinc/49/95/96/1063499596.db2.gz MRKQTZCGWDZISN-UHFFFAOYSA-N -1 3 382.869 3.523 20 30 GHEDHM CCCCCCN([O-])C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC001458012422 1063507569 /nfs/dbraw/zinc/50/75/69/1063507569.db2.gz VGROWBRQQUBAAK-UHFFFAOYSA-N -1 3 389.265 3.506 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1scc2c1OCCO2 ZINC000847623495 1065774631 /nfs/dbraw/zinc/77/46/31/1065774631.db2.gz LCSFGNWUELZPKA-CQSZACIVSA-N -1 3 384.457 3.605 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c([O-])c1 ZINC001472589063 1073564322 /nfs/dbraw/zinc/56/43/22/1073564322.db2.gz LFUWLAUMMHWAAO-LJQANCHMSA-N -1 3 393.487 3.794 20 30 GHEDHM C[C@@H](CCCc1ccccc1)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001472618916 1073579753 /nfs/dbraw/zinc/57/97/53/1073579753.db2.gz OMOZGWLJVQJFQB-KRWDZBQOSA-N -1 3 394.471 3.550 20 30 GHEDHM CCCCN([O-])C(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC001472620665 1073580617 /nfs/dbraw/zinc/58/06/17/1073580617.db2.gz LARHIOYLQWLYIR-UHFFFAOYSA-N -1 3 381.523 3.527 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001476150021 1075095874 /nfs/dbraw/zinc/09/58/74/1075095874.db2.gz KKPVUTYWWSAIHI-CYBMUJFWSA-N -1 3 393.476 3.829 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001476150021 1075095878 /nfs/dbraw/zinc/09/58/78/1075095878.db2.gz KKPVUTYWWSAIHI-CYBMUJFWSA-N -1 3 393.476 3.829 20 30 GHEDHM N#Cc1ccc(CN[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c(OC(F)F)c1 ZINC001601101937 1126222044 /nfs/dbraw/zinc/22/20/44/1126222044.db2.gz RRQQFZOJJOIEKX-INIZCTEOSA-N -1 3 386.354 3.691 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)ccc1-c1nnn[n-]1 ZINC000737710051 598921917 /nfs/dbraw/zinc/92/19/17/598921917.db2.gz UTMRCPRPYFVOCO-UHFFFAOYSA-N -1 3 394.394 3.819 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)ccc1-c1nn[n-]n1 ZINC000737710051 598921919 /nfs/dbraw/zinc/92/19/19/598921919.db2.gz UTMRCPRPYFVOCO-UHFFFAOYSA-N -1 3 394.394 3.819 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706791 598926684 /nfs/dbraw/zinc/92/66/84/598926684.db2.gz ZTFRXKWVGBNMHB-KBPBESRZSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706791 598926685 /nfs/dbraw/zinc/92/66/85/598926685.db2.gz ZTFRXKWVGBNMHB-KBPBESRZSA-N -1 3 399.241 3.787 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)N[C@@H](CC)c1cccs1 ZINC000735421419 599013998 /nfs/dbraw/zinc/01/39/98/599013998.db2.gz ZCSNGRJWQRLJPY-INIZCTEOSA-N -1 3 398.561 3.942 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)N[C@@H](CC)c1cccs1 ZINC000735421419 599014000 /nfs/dbraw/zinc/01/40/00/599014000.db2.gz ZCSNGRJWQRLJPY-INIZCTEOSA-N -1 3 398.561 3.942 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(Br)s2)cc1-c1nnn[n-]1 ZINC000737080642 599150644 /nfs/dbraw/zinc/15/06/44/599150644.db2.gz FMHBCVBAXKUJNC-DUXPYHPUSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(Br)s2)cc1-c1nn[n-]n1 ZINC000737080642 599150646 /nfs/dbraw/zinc/15/06/46/599150646.db2.gz FMHBCVBAXKUJNC-DUXPYHPUSA-N -1 3 391.250 3.595 20 30 GHEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735963342 599199010 /nfs/dbraw/zinc/19/90/10/599199010.db2.gz DQNBFVKEBCKBIL-GFCCVEGCSA-N -1 3 396.838 3.687 20 30 GHEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735501992 599199080 /nfs/dbraw/zinc/19/90/80/599199080.db2.gz AZODOGPZPKDTMN-GFCCVEGCSA-N -1 3 396.838 3.544 20 30 GHEDHM CCC[C@@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736416089 599200199 /nfs/dbraw/zinc/20/01/99/599200199.db2.gz KJOAPRGQECKSJU-ZDUSSCGKSA-N -1 3 396.838 3.734 20 30 GHEDHM CCN(CCC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736534233 599214105 /nfs/dbraw/zinc/21/41/05/599214105.db2.gz ITTDRZBLIXWGDV-UHFFFAOYSA-N -1 3 396.838 3.688 20 30 GHEDHM CCN(CCC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736534233 599214107 /nfs/dbraw/zinc/21/41/07/599214107.db2.gz ITTDRZBLIXWGDV-UHFFFAOYSA-N -1 3 396.838 3.688 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc2ccsc2s1 ZINC000735420750 599279109 /nfs/dbraw/zinc/27/91/09/599279109.db2.gz SAAWYPADWSLVCV-UHFFFAOYSA-N -1 3 397.489 3.758 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc2ccsc2s1 ZINC000735420750 599279110 /nfs/dbraw/zinc/27/91/10/599279110.db2.gz SAAWYPADWSLVCV-UHFFFAOYSA-N -1 3 397.489 3.758 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737716559 598647092 /nfs/dbraw/zinc/64/70/92/598647092.db2.gz RWBGVAKHBYJPGY-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737716559 598647094 /nfs/dbraw/zinc/64/70/94/598647094.db2.gz RWBGVAKHBYJPGY-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM N#CC1(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCCC1 ZINC000737679531 598669221 /nfs/dbraw/zinc/66/92/21/598669221.db2.gz RGHDHUSWFVWMNF-UHFFFAOYSA-N -1 3 388.431 3.615 20 30 GHEDHM N#CC1(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCCC1 ZINC000737679531 598669223 /nfs/dbraw/zinc/66/92/23/598669223.db2.gz RGHDHUSWFVWMNF-UHFFFAOYSA-N -1 3 388.431 3.615 20 30 GHEDHM C=C1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CC1 ZINC000735403206 598808170 /nfs/dbraw/zinc/80/81/70/598808170.db2.gz RIBLWJKHTVDBJL-UHFFFAOYSA-N -1 3 377.473 3.810 20 30 GHEDHM C=C1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CC1 ZINC000735403206 598808171 /nfs/dbraw/zinc/80/81/71/598808171.db2.gz RIBLWJKHTVDBJL-UHFFFAOYSA-N -1 3 377.473 3.810 20 30 GHEDHM N#CCN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCCC1 ZINC000737694786 599552162 /nfs/dbraw/zinc/55/21/62/599552162.db2.gz XGWAHMSRBSIZOJ-UHFFFAOYSA-N -1 3 388.431 3.567 20 30 GHEDHM N#CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000737694786 599552165 /nfs/dbraw/zinc/55/21/65/599552165.db2.gz XGWAHMSRBSIZOJ-UHFFFAOYSA-N -1 3 388.431 3.567 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc(C#N)cc1 ZINC000825830276 607433990 /nfs/dbraw/zinc/43/39/90/607433990.db2.gz RIUAHKWGOPXDGT-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc(C#N)cc1 ZINC000825830276 607433992 /nfs/dbraw/zinc/43/39/92/607433992.db2.gz RIUAHKWGOPXDGT-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM N#Cc1ccc([C@@H](NCc2cccc(NC(=O)c3ccccc3)c2)C(=O)[O-])cc1 ZINC000739106485 600594109 /nfs/dbraw/zinc/59/41/09/600594109.db2.gz NEWICJXQTGSIJX-OAQYLSRUSA-N -1 3 385.423 3.726 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064256 601236968 /nfs/dbraw/zinc/23/69/68/601236968.db2.gz QJEBTOUORHGJET-MJVIPROJSA-N -1 3 396.415 3.540 20 30 GHEDHM N#Cc1cccc([C@H](NCc2ccc(COCC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833075560 601300105 /nfs/dbraw/zinc/30/01/05/601300105.db2.gz MFSBREIJQMNQFE-KRWDZBQOSA-N -1 3 378.350 3.553 20 30 GHEDHM COc1ccc(CNc2ccccc2S[C@H](C)CC#N)cc1-c1nnn[n-]1 ZINC000826204047 607550876 /nfs/dbraw/zinc/55/08/76/607550876.db2.gz USZZHKNAGFIKDE-CYBMUJFWSA-N -1 3 380.477 3.882 20 30 GHEDHM COc1ccc(CNc2ccccc2S[C@H](C)CC#N)cc1-c1nn[n-]n1 ZINC000826204047 607550878 /nfs/dbraw/zinc/55/08/78/607550878.db2.gz USZZHKNAGFIKDE-CYBMUJFWSA-N -1 3 380.477 3.882 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000819744172 606629350 /nfs/dbraw/zinc/62/93/50/606629350.db2.gz YXFAPKOAFYUAKZ-MRXNPFEDSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000819744172 606629351 /nfs/dbraw/zinc/62/93/51/606629351.db2.gz YXFAPKOAFYUAKZ-MRXNPFEDSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000819745965 606861766 /nfs/dbraw/zinc/86/17/66/606861766.db2.gz WVZPVSTZWGYQFM-UHFFFAOYSA-N -1 3 396.454 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000819745965 606861768 /nfs/dbraw/zinc/86/17/68/606861768.db2.gz WVZPVSTZWGYQFM-UHFFFAOYSA-N -1 3 396.454 3.757 20 30 GHEDHM C=CCn1c(SCc2cc(-c3nnn[n-]3)ccc2F)nnc1-c1cccs1 ZINC000819765751 607016706 /nfs/dbraw/zinc/01/67/06/607016706.db2.gz QZYKDYGBBVIODH-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C=CCn1c(SCc2cc(-c3nn[n-]n3)ccc2F)nnc1-c1cccs1 ZINC000819765751 607016707 /nfs/dbraw/zinc/01/67/07/607016707.db2.gz QZYKDYGBBVIODH-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM CC(=NNc1cc(C)ccc1F)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819772772 607110622 /nfs/dbraw/zinc/11/06/22/607110622.db2.gz LNDIFNWQYVQLLK-UHFFFAOYSA-N -1 3 390.426 3.644 20 30 GHEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c(OC(F)F)c1 ZINC000822825280 607126538 /nfs/dbraw/zinc/12/65/38/607126538.db2.gz ASVDVEBJAPRRMD-UHFFFAOYSA-N -1 3 376.754 3.605 20 30 GHEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819745676 607196217 /nfs/dbraw/zinc/19/62/17/607196217.db2.gz OVHXTUSHKVBRGE-UHFFFAOYSA-N -1 3 386.818 3.879 20 30 GHEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819745676 607196218 /nfs/dbraw/zinc/19/62/18/607196218.db2.gz OVHXTUSHKVBRGE-UHFFFAOYSA-N -1 3 386.818 3.879 20 30 GHEDHM Clc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000822573996 607252122 /nfs/dbraw/zinc/25/21/22/607252122.db2.gz MUCQCLBDRSURKR-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM Clc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000822573996 607252123 /nfs/dbraw/zinc/25/21/23/607252123.db2.gz MUCQCLBDRSURKR-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM O=C(C(=NN=Cc1ccccc1-c1nnn[n-]1)c1ccccc1)c1ccccc1 ZINC000826397135 607882221 /nfs/dbraw/zinc/88/22/21/607882221.db2.gz VFRDHDKSOQNRBN-UHFFFAOYSA-N -1 3 380.411 3.573 20 30 GHEDHM O=C(C(=NN=Cc1ccccc1-c1nn[n-]n1)c1ccccc1)c1ccccc1 ZINC000826397135 607882222 /nfs/dbraw/zinc/88/22/22/607882222.db2.gz VFRDHDKSOQNRBN-UHFFFAOYSA-N -1 3 380.411 3.573 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)Cc2c1c(Br)ccc2F ZINC000826475639 607982958 /nfs/dbraw/zinc/98/29/58/607982958.db2.gz MGGFUNHOYIHODG-YRNVUSSQSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)Cc2c1c(Br)ccc2F ZINC000826475639 607982959 /nfs/dbraw/zinc/98/29/59/607982959.db2.gz MGGFUNHOYIHODG-YRNVUSSQSA-N -1 3 385.196 3.591 20 30 GHEDHM C=C(Cl)CNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823883706 608058683 /nfs/dbraw/zinc/05/86/83/608058683.db2.gz YIYJPVJELFLEPD-UHFFFAOYSA-N -1 3 390.230 3.795 20 30 GHEDHM C=C(Cl)CNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823883706 608058684 /nfs/dbraw/zinc/05/86/84/608058684.db2.gz YIYJPVJELFLEPD-UHFFFAOYSA-N -1 3 390.230 3.795 20 30 GHEDHM N#Cc1ccc(SCCCCCSc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000826386164 608111166 /nfs/dbraw/zinc/11/11/66/608111166.db2.gz RRDVDKBMFRDUQX-UHFFFAOYSA-N -1 3 383.506 3.583 20 30 GHEDHM N#Cc1ccc(SCCCCCSc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000826386164 608111167 /nfs/dbraw/zinc/11/11/67/608111167.db2.gz RRDVDKBMFRDUQX-UHFFFAOYSA-N -1 3 383.506 3.583 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000823909759 608235776 /nfs/dbraw/zinc/23/57/76/608235776.db2.gz PTKAKZMBRMHJQT-CLFYSBASSA-N -1 3 384.443 3.576 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000823909759 608235778 /nfs/dbraw/zinc/23/57/78/608235778.db2.gz PTKAKZMBRMHJQT-CLFYSBASSA-N -1 3 384.443 3.576 20 30 GHEDHM C=CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1)C1CC1 ZINC000823903765 608278031 /nfs/dbraw/zinc/27/80/31/608278031.db2.gz JSXBNAPXHBLICU-UHFFFAOYSA-N -1 3 375.432 3.758 20 30 GHEDHM C=CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1)C1CC1 ZINC000823903765 608278032 /nfs/dbraw/zinc/27/80/32/608278032.db2.gz JSXBNAPXHBLICU-UHFFFAOYSA-N -1 3 375.432 3.758 20 30 GHEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000826304654 608441939 /nfs/dbraw/zinc/44/19/39/608441939.db2.gz TUCROKLWHFXLGJ-UHFFFAOYSA-N -1 3 393.454 3.889 20 30 GHEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000826304654 608441941 /nfs/dbraw/zinc/44/19/41/608441941.db2.gz TUCROKLWHFXLGJ-UHFFFAOYSA-N -1 3 393.454 3.889 20 30 GHEDHM C=C[C@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000823882632 608478990 /nfs/dbraw/zinc/47/89/90/608478990.db2.gz AQOZOTBZSRDOSX-QGZVFWFLSA-N -1 3 385.471 3.842 20 30 GHEDHM C=C[C@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000823882632 608478993 /nfs/dbraw/zinc/47/89/93/608478993.db2.gz AQOZOTBZSRDOSX-QGZVFWFLSA-N -1 3 385.471 3.842 20 30 GHEDHM N#CC1(c2ccccc2)CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000826380544 608540015 /nfs/dbraw/zinc/54/00/15/608540015.db2.gz DMDOURDKTQSLMW-UHFFFAOYSA-N -1 3 392.854 3.719 20 30 GHEDHM N#CC1(c2ccccc2)CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000826380544 608540017 /nfs/dbraw/zinc/54/00/17/608540017.db2.gz DMDOURDKTQSLMW-UHFFFAOYSA-N -1 3 392.854 3.719 20 30 GHEDHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826324523 608546320 /nfs/dbraw/zinc/54/63/20/608546320.db2.gz VJZYIGYQAPWUDE-UHFFFAOYSA-N -1 3 393.476 3.803 20 30 GHEDHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826324523 608546321 /nfs/dbraw/zinc/54/63/21/608546321.db2.gz VJZYIGYQAPWUDE-UHFFFAOYSA-N -1 3 393.476 3.803 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2ccc(Br)cc21 ZINC000826475372 608755421 /nfs/dbraw/zinc/75/54/21/608755421.db2.gz DDNFRGGMTUMGRC-YHYXMXQVSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2ccc(Br)cc21 ZINC000826475372 608755423 /nfs/dbraw/zinc/75/54/23/608755423.db2.gz DDNFRGGMTUMGRC-YHYXMXQVSA-N -1 3 387.262 3.903 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(F)c(-c2nnn[n-]2)c1)CC3 ZINC000826212236 608883724 /nfs/dbraw/zinc/88/37/24/608883724.db2.gz KRCPVTVBTOGNPV-XYOKQWHBSA-N -1 3 389.390 3.708 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(F)c(-c2nn[n-]n2)c1)CC3 ZINC000826212236 608883726 /nfs/dbraw/zinc/88/37/26/608883726.db2.gz KRCPVTVBTOGNPV-XYOKQWHBSA-N -1 3 389.390 3.708 20 30 GHEDHM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380064 609162646 /nfs/dbraw/zinc/16/26/46/609162646.db2.gz NNONEVDABGIDOV-OAHLLOKOSA-N -1 3 386.459 3.645 20 30 GHEDHM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380064 609162647 /nfs/dbraw/zinc/16/26/47/609162647.db2.gz NNONEVDABGIDOV-OAHLLOKOSA-N -1 3 386.459 3.645 20 30 GHEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826211009 609269825 /nfs/dbraw/zinc/26/98/25/609269825.db2.gz MFYMROFKTHAPHI-UTCJRWHESA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211009 609269826 /nfs/dbraw/zinc/26/98/26/609269826.db2.gz MFYMROFKTHAPHI-UTCJRWHESA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000826273481 609272136 /nfs/dbraw/zinc/27/21/36/609272136.db2.gz GHZVUSKNCHZPEJ-CLFYSBASSA-N -1 3 375.363 3.865 20 30 GHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000826273481 609272138 /nfs/dbraw/zinc/27/21/38/609272138.db2.gz GHZVUSKNCHZPEJ-CLFYSBASSA-N -1 3 375.363 3.865 20 30 GHEDHM CC(=NNc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958490 609275805 /nfs/dbraw/zinc/27/58/05/609275805.db2.gz OWNOJCMHQHHLNE-UHFFFAOYSA-N -1 3 393.195 3.744 20 30 GHEDHM CC(=NNc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958490 609275807 /nfs/dbraw/zinc/27/58/07/609275807.db2.gz OWNOJCMHQHHLNE-UHFFFAOYSA-N -1 3 393.195 3.744 20 30 GHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826293837 609309045 /nfs/dbraw/zinc/30/90/45/609309045.db2.gz CIVYVXUCMFCWEE-PDGQHHTCSA-N -1 3 396.454 3.788 20 30 GHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826293837 609309047 /nfs/dbraw/zinc/30/90/47/609309047.db2.gz CIVYVXUCMFCWEE-PDGQHHTCSA-N -1 3 396.454 3.788 20 30 GHEDHM C=C(C)CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823872908 609347486 /nfs/dbraw/zinc/34/74/86/609347486.db2.gz FOIQCIIUCNVRKX-UHFFFAOYSA-N -1 3 383.839 3.961 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824058841 609350385 /nfs/dbraw/zinc/35/03/85/609350385.db2.gz FCQXNDBYVVITJC-UHFFFAOYSA-N -1 3 377.404 3.756 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824058841 609350387 /nfs/dbraw/zinc/35/03/87/609350387.db2.gz FCQXNDBYVVITJC-UHFFFAOYSA-N -1 3 377.404 3.756 20 30 GHEDHM CC1(C)CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824796880 609400601 /nfs/dbraw/zinc/40/06/01/609400601.db2.gz TYCVXWGCJWQQNR-LSDHHAIUSA-N -1 3 392.488 3.993 20 30 GHEDHM CC1(C)CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824796880 609400602 /nfs/dbraw/zinc/40/06/02/609400602.db2.gz TYCVXWGCJWQQNR-LSDHHAIUSA-N -1 3 392.488 3.993 20 30 GHEDHM O=[N+]([O-])c1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1Cl ZINC000826497690 609472223 /nfs/dbraw/zinc/47/22/23/609472223.db2.gz QDRFECHVODJQBI-UHFFFAOYSA-N -1 3 378.179 3.528 20 30 GHEDHM O=[N+]([O-])c1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1Cl ZINC000826497690 609472226 /nfs/dbraw/zinc/47/22/26/609472226.db2.gz QDRFECHVODJQBI-UHFFFAOYSA-N -1 3 378.179 3.528 20 30 GHEDHM CC(C)Oc1ccc(NCc2cccc(OCCCC#N)c2)cc1-c1nnn[n-]1 ZINC000824329601 609492086 /nfs/dbraw/zinc/49/20/86/609492086.db2.gz SDQKJZDHCPNGOL-UHFFFAOYSA-N -1 3 392.463 3.949 20 30 GHEDHM CC(C)Oc1ccc(NCc2cccc(OCCCC#N)c2)cc1-c1nn[n-]n1 ZINC000824329601 609492088 /nfs/dbraw/zinc/49/20/88/609492088.db2.gz SDQKJZDHCPNGOL-UHFFFAOYSA-N -1 3 392.463 3.949 20 30 GHEDHM COc1ccc(N=Cc2cc(Br)ccc2[O-])cc1N1CCOC1=O ZINC000254955122 835386205 /nfs/dbraw/zinc/38/62/05/835386205.db2.gz PWJLFOJRTMMGBJ-UHFFFAOYSA-N -1 3 391.221 3.871 20 30 GHEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C ZINC000177601837 836872915 /nfs/dbraw/zinc/87/29/15/836872915.db2.gz VYWGKTHTXUSMAP-ZDUSSCGKSA-N -1 3 379.247 3.811 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000609187655 838258071 /nfs/dbraw/zinc/25/80/71/838258071.db2.gz RVYMMVTYSWBISF-IBGZPJMESA-N -1 3 395.478 3.971 20 30 GHEDHM O=C(Cc1ccccc1)Nc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1F ZINC000255147797 838494595 /nfs/dbraw/zinc/49/45/95/838494595.db2.gz BELVIVBVBGTKGJ-UHFFFAOYSA-N -1 3 380.375 3.874 20 30 GHEDHM C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1cccc(C#N)c1 ZINC000610362085 838684398 /nfs/dbraw/zinc/68/43/98/838684398.db2.gz KQOMGOGAKDLKCO-NSHDSACASA-N -1 3 396.244 3.653 20 30 GHEDHM CS(=O)(=O)c1csc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)c1 ZINC000155894244 840371467 /nfs/dbraw/zinc/37/14/67/840371467.db2.gz YKFCHMUBBQPGLT-UHFFFAOYSA-N -1 3 394.543 3.996 20 30 GHEDHM CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000121655273 844603049 /nfs/dbraw/zinc/60/30/49/844603049.db2.gz FFOWIFLGFBMDKJ-CYBMUJFWSA-N -1 3 384.457 3.778 20 30 GHEDHM Cc1noc([N-]C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1 ZINC000136556144 841408819 /nfs/dbraw/zinc/40/88/19/841408819.db2.gz IIKWLSWIBWEVOS-UHFFFAOYSA-N -1 3 397.460 3.969 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(CN3C(=O)CCC3=O)cc2)s1 ZINC000430614159 841735862 /nfs/dbraw/zinc/73/58/62/841735862.db2.gz YMTHWIHMOMUMET-OAHLLOKOSA-N -1 3 395.484 3.580 20 30 GHEDHM Cc1cc(N=Cc2cc(Br)ccc2[O-])ccc1N1C(=O)CCC1=O ZINC000255329456 841821173 /nfs/dbraw/zinc/82/11/73/841821173.db2.gz MNZHPTVFGIPBAM-UHFFFAOYSA-N -1 3 387.233 3.867 20 30 GHEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432304084 843003019 /nfs/dbraw/zinc/00/30/19/843003019.db2.gz ZYVPDQNMYZEJQK-HNNXBMFYSA-N -1 3 386.370 3.712 20 30 GHEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000513347292 845276515 /nfs/dbraw/zinc/27/65/15/845276515.db2.gz HRRBLTQPHWVYFC-QGZVFWFLSA-N -1 3 377.822 3.706 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N\C1CCC(O)(c2cccnc2)CC1 ZINC000588488854 845644005 /nfs/dbraw/zinc/64/40/05/845644005.db2.gz AXIHHVCPAYNIMG-NHDPSOOVSA-N -1 3 375.266 3.799 20 30 GHEDHM CCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1CCC(C)C ZINC000277636308 847380816 /nfs/dbraw/zinc/38/08/16/847380816.db2.gz SSMIRMLOZZDDBN-UHFFFAOYSA-N -1 3 383.496 3.652 20 30 GHEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cn1 ZINC000502499133 847960513 /nfs/dbraw/zinc/96/05/13/847960513.db2.gz FKSBBZQYXNBTEO-LLVKDONJSA-N -1 3 398.488 3.600 20 30 GHEDHM COc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC000436609803 852108432 /nfs/dbraw/zinc/10/84/32/852108432.db2.gz WJTGWOMHBLOURF-NRFANRHFSA-N -1 3 388.423 3.974 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c([O-])c1 ZINC000436984508 852594329 /nfs/dbraw/zinc/59/43/29/852594329.db2.gz FUNBZAAKYJRSNM-NRFANRHFSA-N -1 3 380.444 3.656 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)ccc1F ZINC000517935314 852631384 /nfs/dbraw/zinc/63/13/84/852631384.db2.gz RYILMWKHFRREDZ-UHFFFAOYSA-N -1 3 388.342 3.748 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1F ZINC000518328943 853213372 /nfs/dbraw/zinc/21/33/72/853213372.db2.gz NNHKGBPIESMOAP-UHFFFAOYSA-N -1 3 393.827 3.660 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000482204556 862804426 /nfs/dbraw/zinc/80/44/26/862804426.db2.gz DSWVBPJGINVULH-XJKSGUPXSA-N -1 3 383.414 3.693 20 30 GHEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508144430 856991307 /nfs/dbraw/zinc/99/13/07/856991307.db2.gz WCNISAAJCOGKNM-LBPRGKRZSA-N -1 3 386.848 3.672 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000172782984 857167498 /nfs/dbraw/zinc/16/74/98/857167498.db2.gz CHUMWDFISXKPSE-XCLFUZPHSA-N -1 3 381.451 3.545 20 30 GHEDHM CCn1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c(C)nc21 ZINC000442532917 857922276 /nfs/dbraw/zinc/92/22/76/857922276.db2.gz WFDZBZJTAWVNRZ-AWEZNQCLSA-N -1 3 394.385 3.995 20 30 GHEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000594694652 858270345 /nfs/dbraw/zinc/27/03/45/858270345.db2.gz NPUGWVJOCFEVDG-LJQANCHMSA-N -1 3 380.510 3.706 20 30 GHEDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000157668227 858907992 /nfs/dbraw/zinc/90/79/92/858907992.db2.gz JZDDNPFQTYXZRJ-UHFFFAOYSA-N -1 3 386.854 3.887 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)Cc2ccc(F)c(Br)c2)c1[O-] ZINC000764414302 859444208 /nfs/dbraw/zinc/44/42/08/859444208.db2.gz QKLSYQHTFCGREN-AUXCUJNGSA-N -1 3 381.245 3.540 20 30 GHEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OCC#N)cc2)c1Cl ZINC000727679164 860187297 /nfs/dbraw/zinc/18/72/97/860187297.db2.gz JGLQKZPYEKRUGK-UHFFFAOYSA-N -1 3 385.272 3.683 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Oc3ccccc3)nc2)c1 ZINC000733678736 863106809 /nfs/dbraw/zinc/10/68/09/863106809.db2.gz HUYHYOQGKWMCAO-LJQANCHMSA-N -1 3 387.395 3.844 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000130000769 863234400 /nfs/dbraw/zinc/23/44/00/863234400.db2.gz YKCIXUSAGKIXRG-CQSZACIVSA-N -1 3 382.464 3.731 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706745 863718429 /nfs/dbraw/zinc/71/84/29/863718429.db2.gz YRTJWUYCRNDZJZ-HZPDHXFCSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706745 863718433 /nfs/dbraw/zinc/71/84/33/863718433.db2.gz YRTJWUYCRNDZJZ-HZPDHXFCSA-N -1 3 399.241 3.787 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccc(OCC(F)(F)F)n1 ZINC000172545173 863721000 /nfs/dbraw/zinc/72/10/00/863721000.db2.gz DQTAYBQBEXHWPN-LBPRGKRZSA-N -1 3 397.740 3.637 20 30 GHEDHM COc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc2ccccc21 ZINC000734079657 863983663 /nfs/dbraw/zinc/98/36/63/863983663.db2.gz UBDDBOFYZYHZJK-AWEZNQCLSA-N -1 3 379.803 3.858 20 30 GHEDHM C=C(Cl)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000736245841 865156558 /nfs/dbraw/zinc/15/65/58/865156558.db2.gz ANDNQVABHXTTRW-UHFFFAOYSA-N -1 3 378.881 3.587 20 30 GHEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000172088706 865484376 /nfs/dbraw/zinc/48/43/76/865484376.db2.gz RKHWCVYAOGGCOF-QGZVFWFLSA-N -1 3 379.441 3.720 20 30 GHEDHM Cc1nn(-c2ccc(Br)cc2)cc1C([O-])=C(C#N)c1ccccn1 ZINC000153261846 866306284 /nfs/dbraw/zinc/30/62/84/866306284.db2.gz BBWNDBTXUPNRHV-HNNXBMFYSA-N -1 3 381.233 3.828 20 30 GHEDHM CCOc1cc(C=NNCCc2ccc(OC)cc2)cc(Br)c1[O-] ZINC000737440132 866705955 /nfs/dbraw/zinc/70/59/55/866705955.db2.gz DJNCSWHYXACPLM-UHFFFAOYSA-N -1 3 393.281 3.728 20 30 GHEDHM CCc1csc(-n2cc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)cn2)n1 ZINC000534972980 867855604 /nfs/dbraw/zinc/85/56/04/867855604.db2.gz ZODVGVNJTYSLJM-AWEZNQCLSA-N -1 3 376.445 3.566 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)cc1 ZINC000445173374 867921194 /nfs/dbraw/zinc/92/11/94/867921194.db2.gz OGXOSAUOCYLPDJ-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM Cc1ccc(-c2cnc(COC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)o2)cc1 ZINC000744590304 868941700 /nfs/dbraw/zinc/94/17/00/868941700.db2.gz RWUKCKGCFIOKRR-UHFFFAOYSA-N -1 3 391.427 3.915 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(Cl)c1 ZINC000443094711 869418499 /nfs/dbraw/zinc/41/84/99/869418499.db2.gz PDEYGBSJSXWXSW-CQSZACIVSA-N -1 3 379.825 3.549 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Cl)sc1Cl ZINC000540005522 870172890 /nfs/dbraw/zinc/17/28/90/870172890.db2.gz AJHPUIFCMNNZHC-UHFFFAOYSA-N -1 3 384.288 3.893 20 30 GHEDHM N#Cc1ccc([N-]C(=O)c2nc(Cc3ccccc3)no2)c(OC(F)(F)F)c1 ZINC001192270055 870254344 /nfs/dbraw/zinc/25/43/44/870254344.db2.gz PRKODYIUFBAZEU-UHFFFAOYSA-N -1 3 388.305 3.683 20 30 GHEDHM N#C[C@]1([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCc2ccccc2C1 ZINC000446775824 870332426 /nfs/dbraw/zinc/33/24/26/870332426.db2.gz ZFJSAEWXDVEPIT-SFHVURJKSA-N -1 3 395.311 3.864 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C(C)C)cc2[O-])C1=O ZINC000793986322 882522112 /nfs/dbraw/zinc/52/21/12/882522112.db2.gz JXVACJYSJGCUBZ-NRFANRHFSA-N -1 3 389.496 3.831 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1F ZINC001194491310 871745740 /nfs/dbraw/zinc/74/57/40/871745740.db2.gz ZXAAZEPSLGLHTJ-UHFFFAOYSA-N -1 3 379.775 3.839 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc2c(Cl)nccc21)c1ccc(F)cc1 ZINC001194511748 871760849 /nfs/dbraw/zinc/76/08/49/871760849.db2.gz MWRVCLYLUOVHQA-HNNXBMFYSA-N -1 3 375.812 3.570 20 30 GHEDHM Cc1nc(-c2ccccc2)sc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000182119854 871854570 /nfs/dbraw/zinc/85/45/70/871854570.db2.gz IISNITHFBRRQJZ-UHFFFAOYSA-N -1 3 392.484 3.867 20 30 GHEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000464416201 873803121 /nfs/dbraw/zinc/80/31/21/873803121.db2.gz ACQOAJMKICHHNE-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[n-]n1 ZINC000541905012 874526676 /nfs/dbraw/zinc/52/66/76/874526676.db2.gz LUGRFMQIOYDFKI-UHFFFAOYSA-N -1 3 390.399 3.697 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n[n-]1 ZINC000541905012 874526680 /nfs/dbraw/zinc/52/66/80/874526680.db2.gz LUGRFMQIOYDFKI-UHFFFAOYSA-N -1 3 390.399 3.697 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1C ZINC000775929443 874784124 /nfs/dbraw/zinc/78/41/24/874784124.db2.gz KNFNRMLFTCMBIM-UHFFFAOYSA-N -1 3 386.835 3.766 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775935807 874825244 /nfs/dbraw/zinc/82/52/44/874825244.db2.gz PFDDFUIMCWGMJB-AWEZNQCLSA-N -1 3 386.835 3.846 20 30 GHEDHM N#Cc1ccc(NC(=S)Nc2cc(=O)[n-]c(C3CC3)n2)c(Br)c1 ZINC001201115489 875507261 /nfs/dbraw/zinc/50/72/61/875507261.db2.gz PYMLTXHITOCZFG-UHFFFAOYSA-N -1 3 390.266 3.503 20 30 GHEDHM Cn1ncc2c1nc(N=NCc1ccc(SCc3ccccc3)cc1)[n-]c2=O ZINC000771884725 875514548 /nfs/dbraw/zinc/51/45/48/875514548.db2.gz PPAKYKLMRNVONF-UHFFFAOYSA-N -1 3 390.472 3.807 20 30 GHEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000771935363 875558218 /nfs/dbraw/zinc/55/82/18/875558218.db2.gz PORZKUWWIGBEBU-GOSISDBHSA-N -1 3 386.293 3.537 20 30 GHEDHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C#N)c(C)c3)n2)cc1 ZINC000443912644 876652521 /nfs/dbraw/zinc/65/25/21/876652521.db2.gz DKWCVYIBOBYMDV-AWEZNQCLSA-N -1 3 396.472 3.519 20 30 GHEDHM C#CCC(CC#C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000788276677 877989583 /nfs/dbraw/zinc/98/95/83/877989583.db2.gz CAKUANCHJCZGTQ-UHFFFAOYSA-N -1 3 398.459 3.536 20 30 GHEDHM CCc1cc2c(CN3CCC[C@@](C#N)(c4ccccn4)C3)cc(=O)oc2cc1[O-] ZINC000852330932 878248336 /nfs/dbraw/zinc/24/83/36/878248336.db2.gz UIEFFCZMLUBOCT-QHCPKHFHSA-N -1 3 389.455 3.513 20 30 GHEDHM CC(=NNc1cc(F)cc(Cl)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000853396443 879001707 /nfs/dbraw/zinc/00/17/07/879001707.db2.gz JMILTDHXONBGRB-UHFFFAOYSA-N -1 3 377.847 3.853 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000111990520 879603028 /nfs/dbraw/zinc/60/30/28/879603028.db2.gz SVDVCMCVNYNROZ-LBPRGKRZSA-N -1 3 398.850 3.630 20 30 GHEDHM N#CC(=C([O-])c1c[nH]nc1-c1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000184291864 880269681 /nfs/dbraw/zinc/26/96/81/880269681.db2.gz IPOPTMXYDTWYGQ-AWEZNQCLSA-N -1 3 380.839 3.538 20 30 GHEDHM CC(C)(C)CN(CCC#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000542504796 883757469 /nfs/dbraw/zinc/75/74/69/883757469.db2.gz ABMDCJCGFRJZRH-UHFFFAOYSA-N -1 3 390.281 3.693 20 30 GHEDHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)cc1C ZINC000556303713 884388086 /nfs/dbraw/zinc/38/80/86/884388086.db2.gz WYSSBAKQKPHZKJ-UHFFFAOYSA-N -1 3 396.827 3.637 20 30 GHEDHM N#Cc1cc(F)ccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000103140810 884783765 /nfs/dbraw/zinc/78/37/65/884783765.db2.gz RBODWOAUTIJGDO-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM CN(C)CCN1c2ccccc2C(=N[N-]c2nc(-c3ccccc3)cs2)C1=O ZINC000807958019 885896423 /nfs/dbraw/zinc/89/64/23/885896423.db2.gz HJZGXTPDBOMBMT-UHFFFAOYSA-N -1 3 391.500 3.535 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3nc2Br)cc1 ZINC000762502262 886297150 /nfs/dbraw/zinc/29/71/50/886297150.db2.gz MZAGQAZRFJDLPY-UHFFFAOYSA-N -1 3 388.246 3.670 20 30 GHEDHM CC(C)n1nccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000794506458 887005537 /nfs/dbraw/zinc/00/55/37/887005537.db2.gz PTBZVLNFXADNID-UHFFFAOYSA-N -1 3 383.477 3.711 20 30 GHEDHM C=C(C)CCc1noc([C@H](CCCC)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000809500877 887496898 /nfs/dbraw/zinc/49/68/98/887496898.db2.gz VSUPTWPHSPPHPJ-HNNXBMFYSA-N -1 3 388.493 3.548 20 30 GHEDHM CCCCc1ccc(N2C[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC001184349105 913161890 /nfs/dbraw/zinc/16/18/90/913161890.db2.gz VFAITHVQHPKUQB-SFHVURJKSA-N -1 3 384.451 3.939 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000194099416 888019897 /nfs/dbraw/zinc/01/98/97/888019897.db2.gz XEFSQZQIGZGCEY-NRFANRHFSA-N -1 3 377.488 3.940 20 30 GHEDHM CCOc1cccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000763168815 888037932 /nfs/dbraw/zinc/03/79/32/888037932.db2.gz NSJBXVZSVYTWMC-UHFFFAOYSA-N -1 3 396.472 3.727 20 30 GHEDHM CSc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000916320653 888922348 /nfs/dbraw/zinc/92/23/48/888922348.db2.gz FNGOOXCZGMQJQU-INIZCTEOSA-N -1 3 384.486 3.683 20 30 GHEDHM COC(=O)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000811185682 889272156 /nfs/dbraw/zinc/27/21/56/889272156.db2.gz REAHZNOVAGIQMC-OAHLLOKOSA-N -1 3 380.183 3.642 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000811187444 889274341 /nfs/dbraw/zinc/27/43/41/889274341.db2.gz RJWWHYRNHVKVLW-ZDUSSCGKSA-N -1 3 394.427 3.677 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000811187441 889275039 /nfs/dbraw/zinc/27/50/39/889275039.db2.gz RJWWHYRNHVKVLW-CYBMUJFWSA-N -1 3 394.427 3.677 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccc(Cn2cccn2)o1 ZINC000916919538 890390626 /nfs/dbraw/zinc/39/06/26/890390626.db2.gz XLWFPFGYNVABLM-SFHVURJKSA-N -1 3 384.395 3.639 20 30 GHEDHM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1[N+](=O)[O-] ZINC000123730933 890967975 /nfs/dbraw/zinc/96/79/75/890967975.db2.gz AQEBHTNWZWGBHO-UHFFFAOYSA-N -1 3 386.216 3.883 20 30 GHEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)s1 ZINC001170713288 892038206 /nfs/dbraw/zinc/03/82/06/892038206.db2.gz QQAGDHUVGIUBLD-UHFFFAOYSA-N -1 3 379.417 3.790 20 30 GHEDHM C=C[C@H](CC)CC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788505 893305386 /nfs/dbraw/zinc/30/53/86/893305386.db2.gz DOVWZLRFHWALHB-SECBINFHSA-N -1 3 380.242 3.653 20 30 GHEDHM CC[C@@H](C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000778298020 894147108 /nfs/dbraw/zinc/14/71/08/894147108.db2.gz OECOCTPABKJBAZ-ZWNOBZJWSA-N -1 3 376.819 3.916 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(Cl)cc(OC)c2)C1=O ZINC000816542628 894913438 /nfs/dbraw/zinc/91/34/38/894913438.db2.gz WFSUWQJPKRPONE-LJQANCHMSA-N -1 3 395.887 3.664 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc(Cl)c1[O-] ZINC000132686467 897875437 /nfs/dbraw/zinc/87/54/37/897875437.db2.gz YKKHMEUDJAEBDS-GQCTYLIASA-N -1 3 398.839 3.883 20 30 GHEDHM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000826386106 899105808 /nfs/dbraw/zinc/10/58/08/899105808.db2.gz PFUXUSBHFRZIIB-UHFFFAOYSA-N -1 3 392.322 3.817 20 30 GHEDHM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000826386106 899105816 /nfs/dbraw/zinc/10/58/16/899105816.db2.gz PFUXUSBHFRZIIB-UHFFFAOYSA-N -1 3 392.322 3.817 20 30 GHEDHM C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823883624 899304240 /nfs/dbraw/zinc/30/42/40/899304240.db2.gz VVDRSISLMKYMSC-ZDUSSCGKSA-N -1 3 382.855 3.646 20 30 GHEDHM C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823883624 899304252 /nfs/dbraw/zinc/30/42/52/899304252.db2.gz VVDRSISLMKYMSC-ZDUSSCGKSA-N -1 3 382.855 3.646 20 30 GHEDHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC001273515523 914338334 /nfs/dbraw/zinc/33/83/34/914338334.db2.gz XCHPPIVKWQFQMR-UHFFFAOYSA-N -1 3 386.820 3.564 20 30 GHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570738126 899548241 /nfs/dbraw/zinc/54/82/41/899548241.db2.gz UAFSNWWVEQFAOJ-ZDUSSCGKSA-N -1 3 379.707 3.709 20 30 GHEDHM C[C@@H](Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)c1cccc(C#N)c1 ZINC000824662105 899751438 /nfs/dbraw/zinc/75/14/38/899751438.db2.gz CPNUSVURDPQILB-GFCCVEGCSA-N -1 3 390.838 3.751 20 30 GHEDHM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403067 899826571 /nfs/dbraw/zinc/82/65/71/899826571.db2.gz JDCQZUZNPIVQSK-DAFODLJHSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403067 899826586 /nfs/dbraw/zinc/82/65/86/899826586.db2.gz JDCQZUZNPIVQSK-DAFODLJHSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCCN1Cc1ccccc1 ZINC000134506729 900075356 /nfs/dbraw/zinc/07/53/56/900075356.db2.gz NNQJKFKKBWYVNT-KKJJZKEWSA-N -1 3 387.277 3.765 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1cccs1 ZINC000885263065 900446720 /nfs/dbraw/zinc/44/67/20/900446720.db2.gz KIMQCYDXKQBSGT-NRFANRHFSA-N -1 3 383.517 3.894 20 30 GHEDHM Cn1cc(C=Nn2c(-c3ccccc3[O-])csc2=NC2CC2)c(C(F)F)n1 ZINC000844548298 901006180 /nfs/dbraw/zinc/00/61/80/901006180.db2.gz OWKRRLKIIGNCLP-UHFFFAOYSA-N -1 3 389.431 3.539 20 30 GHEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CCO1 ZINC000844653657 901114125 /nfs/dbraw/zinc/11/41/25/901114125.db2.gz CQVBXNFXYQKUHV-MRXNPFEDSA-N -1 3 399.516 3.514 20 30 GHEDHM CC1(C=CC(=O)C(C#N)=C([O-])c2sccc2Br)CCOCC1 ZINC000845843254 902409590 /nfs/dbraw/zinc/40/95/90/902409590.db2.gz BFYAWIWFOCJAHK-FWEMWIAWSA-N -1 3 382.279 3.775 20 30 GHEDHM CC1(C=CC([O-])=C(C#N)C(=O)c2sccc2Br)CCOCC1 ZINC000845843254 902409599 /nfs/dbraw/zinc/40/95/99/902409599.db2.gz BFYAWIWFOCJAHK-FWEMWIAWSA-N -1 3 382.279 3.775 20 30 GHEDHM N#CC(C(=O)Cc1ccc2c(c1)OC(F)(F)O2)=C([O-])C1(c2ccccc2)CC1 ZINC000845842811 902409632 /nfs/dbraw/zinc/40/96/32/902409632.db2.gz IVCCDHDQNLHZOJ-OAHLLOKOSA-N -1 3 383.350 3.560 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccc2c(c1)OC(F)(F)O2 ZINC000845842811 902409637 /nfs/dbraw/zinc/40/96/37/902409637.db2.gz IVCCDHDQNLHZOJ-OAHLLOKOSA-N -1 3 383.350 3.560 20 30 GHEDHM N#CC(C(=O)CCC(=O)c1ccc(F)cc1F)=C([O-])C1(c2ccccc2)CC1 ZINC000845840053 902457223 /nfs/dbraw/zinc/45/72/23/902457223.db2.gz YWTFGIBMGDNFIT-KRWDZBQOSA-N -1 3 381.378 3.937 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(=O)c1ccc(F)cc1F ZINC000845840053 902457230 /nfs/dbraw/zinc/45/72/30/902457230.db2.gz YWTFGIBMGDNFIT-KRWDZBQOSA-N -1 3 381.378 3.937 20 30 GHEDHM CCOc1cc(-c2noc([C@@H](N)CCCCC#N)n2)cc(Br)c1[O-] ZINC000846771621 903211435 /nfs/dbraw/zinc/21/14/35/903211435.db2.gz YEXSJWAFNBMYQF-LBPRGKRZSA-N -1 3 395.257 3.687 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1Cl ZINC001212844504 903726958 /nfs/dbraw/zinc/72/69/58/903726958.db2.gz XPPBKYMPZJBTQB-UHFFFAOYSA-N -1 3 378.131 3.591 20 30 GHEDHM C=CCN1c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2C2(CCOCC2)C1=O ZINC001148500393 904099599 /nfs/dbraw/zinc/09/95/99/904099599.db2.gz MZDGZYURBIGRCD-UHFFFAOYSA-N -1 3 392.455 3.534 20 30 GHEDHM C=CCOc1c(Cl)cc(CNCc2ccc(CC(=O)[O-])cc2)cc1OC ZINC000901540467 921338923 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397.438 3.905 20 30 GHEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c1 ZINC001573291123 946915594 /nfs/dbraw/zinc/91/55/94/946915594.db2.gz WVQUAAZEVPCTNY-UHFFFAOYSA-N -1 3 397.438 3.905 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@H](C)CC2 ZINC001573294290 946982900 /nfs/dbraw/zinc/98/29/00/946982900.db2.gz AMKCZPLPMXUZQW-YMEQNVIZSA-N -1 3 387.509 3.534 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@H](C)CC2 ZINC001573294290 946982906 /nfs/dbraw/zinc/98/29/06/946982906.db2.gz AMKCZPLPMXUZQW-YMEQNVIZSA-N -1 3 387.509 3.534 20 30 GHEDHM C=CCC1(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCCC1 ZINC001573329903 947428702 /nfs/dbraw/zinc/42/87/02/947428702.db2.gz QUHJQQRZXQMXHC-UHFFFAOYSA-N -1 3 393.447 3.657 20 30 GHEDHM C=CCCCCn1c(C(C)C)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573335187 947474575 /nfs/dbraw/zinc/47/45/75/947474575.db2.gz NUMGRAYOZIWWEY-UHFFFAOYSA-N -1 3 380.500 3.574 20 30 GHEDHM C=CCCCCn1c(C(C)C)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573335187 947474586 /nfs/dbraw/zinc/47/45/86/947474586.db2.gz NUMGRAYOZIWWEY-UHFFFAOYSA-N -1 3 380.500 3.574 20 30 GHEDHM C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])CC1 ZINC001573368230 963076969 /nfs/dbraw/zinc/07/69/69/963076969.db2.gz KHSWAMMXLRNDRG-UHFFFAOYSA-N -1 3 397.928 3.679 20 30 GHEDHM C=C(CCC(=O)[O-])C(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001588614922 983708955 /nfs/dbraw/zinc/70/89/55/983708955.db2.gz DWYGFYULHVMKPR-NRFANRHFSA-N -1 3 386.536 3.599 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C#N)c2Br)c1 ZINC001190972846 1014973993 /nfs/dbraw/zinc/97/39/93/1014973993.db2.gz MATWCHZSJJBPMR-UHFFFAOYSA-N -1 3 396.653 3.647 20 30 GHEDHM C[C@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593299331 994721274 /nfs/dbraw/zinc/72/12/74/994721274.db2.gz RQCGQYKYFMGUAX-GOSISDBHSA-N -1 3 379.243 3.985 20 30 GHEDHM C=CC(C)(C)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464772076 1065202478 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GHEDHM C=CC[C@@H]1[C@H](Oc2n[n-]c(-c3cccnc3)n2)CCCN1C(=O)OC(C)(C)C ZINC001228696998 1033052334 /nfs/dbraw/zinc/05/23/34/1033052334.db2.gz CVTUECNWOYYJSB-HZPDHXFCSA-N -1 3 385.468 3.590 20 30 GHEDHM C#C[C@@H](COc1cccc(Cl)c1)Oc1cc(O)cc([O-])c1Br ZINC001229097224 1033276644 /nfs/dbraw/zinc/27/66/44/1033276644.db2.gz QSWHBTLNDMGBGF-LBPRGKRZSA-N -1 3 383.625 3.973 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)n1 ZINC001166114988 1026921867 /nfs/dbraw/zinc/92/18/67/1026921867.db2.gz VGLXMWQVROMPFY-YVSHUHOVSA-N -1 3 396.944 3.692 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCc3c2ccc(F)c3Br)c1[O-] ZINC000840710395 1027750654 /nfs/dbraw/zinc/75/06/54/1027750654.db2.gz RXONIVHPPHPRBI-HMBXTHQTSA-N -1 3 379.229 3.596 20 30 GHEDHM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142109179 1028126793 /nfs/dbraw/zinc/12/67/93/1028126793.db2.gz IVHVLMJCVKZSIG-KRWDZBQOSA-N -1 3 397.306 3.612 20 30 GHEDHM COc1c([O-])cc(-c2nc(-c3cc(C#N)ccc3F)no2)cc1Br ZINC001216762093 1029923663 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CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001161848350 1035314496 /nfs/dbraw/zinc/31/44/96/1035314496.db2.gz BELDKWGGXBSTHM-HNNXBMFYSA-N -1 3 380.460 3.971 20 30 GHEDHM N#Cc1cccc(N2C[C@@]3(CCN(Cc4cccc([O-])c4Cl)C3)CC2=O)c1 ZINC001232788064 1038555682 /nfs/dbraw/zinc/55/56/82/1038555682.db2.gz ZAHNZQPCONBJAH-NRFANRHFSA-N -1 3 381.863 3.546 20 30 GHEDHM CCCCCCCC[C@@H](O)CNc1nc[n-]c(=O)c1CC(OCC)OCC ZINC001252121562 1038868458 /nfs/dbraw/zinc/86/84/58/1038868458.db2.gz IILKIVCFKBKSOM-MRXNPFEDSA-N -1 3 383.533 3.647 20 30 GHEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001277992481 1041799361 /nfs/dbraw/zinc/79/93/61/1041799361.db2.gz IBIRYBMULHXDEY-CQSZACIVSA-N -1 3 383.319 3.993 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2F)cc1 ZINC001258136330 1044420775 /nfs/dbraw/zinc/42/07/75/1044420775.db2.gz UPYGNNPVTCFJQM-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2F)ccc1F ZINC001259418786 1045137887 /nfs/dbraw/zinc/13/78/87/1045137887.db2.gz RNULKMBAFBWRLN-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)ccc1F ZINC001259417979 1045138337 /nfs/dbraw/zinc/13/83/37/1045138337.db2.gz XYEBLAXEALBCFI-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM O=S(=O)([N-]Cc1cc(C(F)(F)F)ccc1F)c1cc(F)c(F)c(F)c1 ZINC001259502882 1045208356 /nfs/dbraw/zinc/20/83/56/1045208356.db2.gz WXWMUCIDOCKLPN-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2cccc(Cl)c2)cc1C(F)(F)F ZINC001260828594 1045696170 /nfs/dbraw/zinc/69/61/70/1045696170.db2.gz QWABZFMFJBZZNY-UHFFFAOYSA-N -1 3 375.759 3.567 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)cc1Cl ZINC001260973273 1045790526 /nfs/dbraw/zinc/79/05/26/1045790526.db2.gz HNGQULNONOOSKY-UHFFFAOYSA-N -1 3 391.880 3.621 20 30 GHEDHM CCCCn1ncc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c1CC ZINC001263332427 1046718513 /nfs/dbraw/zinc/71/85/13/1046718513.db2.gz PIDYBBIITWEOQJ-GOSISDBHSA-N -1 3 375.476 3.980 20 30 GHEDHM N#Cc1cc(F)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC001463340581 1070996910 /nfs/dbraw/zinc/99/69/10/1070996910.db2.gz BUTXXUTUCHCCEC-OAHLLOKOSA-N -1 3 390.333 3.808 20 30 GHEDHM O=C(c1cc2cccc(Cl)c2o1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892455 1048948029 /nfs/dbraw/zinc/94/80/29/1048948029.db2.gz GJONGLXORXJBBZ-UHFFFAOYSA-N -1 3 398.802 3.604 20 30 GHEDHM CC(=O)N[C@@H](CC(=O)N([O-])CCCCc1ccccc1)c1c(F)cccc1F ZINC001306896495 1048949843 /nfs/dbraw/zinc/94/98/43/1048949843.db2.gz ZIIZFOFPHJZRRU-IBGZPJMESA-N -1 3 390.430 3.773 20 30 GHEDHM Cc1cc(I)cc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001306898484 1048950672 /nfs/dbraw/zinc/95/06/72/1048950672.db2.gz GCVINRIXABFBFB-UHFFFAOYSA-N -1 3 385.176 3.770 20 30 GHEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001290545671 1049875661 /nfs/dbraw/zinc/87/56/61/1049875661.db2.gz BXEGMLSHTVWAHS-UHFFFAOYSA-N -1 3 396.834 3.741 20 30 GHEDHM CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N([O-])Cc1ccccc1Cl ZINC001306894081 1049899179 /nfs/dbraw/zinc/89/91/79/1049899179.db2.gz FLCDEVDIOBYSMD-UHFFFAOYSA-N -1 3 378.803 3.608 20 30 GHEDHM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001309594995 1050846026 /nfs/dbraw/zinc/84/60/26/1050846026.db2.gz NRURZXWRUVEUIZ-CQSZACIVSA-N -1 3 382.272 3.616 20 30 GHEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC001309847438 1051003113 /nfs/dbraw/zinc/00/31/13/1051003113.db2.gz VOCWUTRYSODILX-CXAGYDPISA-N -1 3 388.445 3.523 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C(C)=O)CC1 ZINC001342379612 1053138069 /nfs/dbraw/zinc/13/80/69/1053138069.db2.gz FHKPBTMKQLYTPA-UHFFFAOYSA-N -1 3 397.504 3.642 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)Cc1ccc(Cl)s1 ZINC001342383543 1053140293 /nfs/dbraw/zinc/14/02/93/1053140293.db2.gz DDECMAXACIYBKP-UHFFFAOYSA-N -1 3 390.900 3.677 20 30 GHEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(C(C)(C)C)c1 ZINC001317941007 1054319131 /nfs/dbraw/zinc/31/91/31/1054319131.db2.gz QUKJCTUSWCCWQZ-UHFFFAOYSA-N -1 3 397.504 3.548 20 30 GHEDHM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001321162724 1056129178 /nfs/dbraw/zinc/12/91/78/1056129178.db2.gz LWVPAFOAVMQZEA-INIZCTEOSA-N -1 3 383.517 3.914 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001341956042 1060967951 /nfs/dbraw/zinc/96/79/51/1060967951.db2.gz UGAPTCNRYBJSBN-FZMZJTMJSA-N -1 3 392.381 3.914 20 30 GHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cc(Br)c(Br)s1 ZINC001452741067 1060998763 /nfs/dbraw/zinc/99/87/63/1060998763.db2.gz WQXKWVXFRMCTQM-SSDOTTSWSA-N -1 3 383.105 3.828 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1cccs1 ZINC001345973155 1061253795 /nfs/dbraw/zinc/25/37/95/1061253795.db2.gz GSIVXYUIRUZFRH-HNNXBMFYSA-N -1 3 382.493 3.728 20 30 GHEDHM Cc1cc(C)n(-c2ccc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)cc2)n1 ZINC001347064322 1062082659 /nfs/dbraw/zinc/08/26/59/1062082659.db2.gz WURRXMTUJCDCNS-SFHVURJKSA-N -1 3 382.427 3.505 20 30 GHEDHM O=C(c1cccc(N2CCOC2=O)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457981219 1063483005 /nfs/dbraw/zinc/48/30/05/1063483005.db2.gz KERKPEWLSRGCPX-UHFFFAOYSA-N -1 3 381.215 3.982 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001458010743 1063505732 /nfs/dbraw/zinc/50/57/32/1063505732.db2.gz KRQQBTKCQVTDHH-KURKYZTESA-N -1 3 398.544 3.979 20 30 GHEDHM CCCCN([O-])C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC001458026115 1063511799 /nfs/dbraw/zinc/51/17/99/1063511799.db2.gz XHFKBSUNTLRUHW-UHFFFAOYSA-N -1 3 395.253 3.855 20 30 GHEDHM C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1ccc(C#N)cc1 ZINC001349973194 1063956449 /nfs/dbraw/zinc/95/64/49/1063956449.db2.gz NWBZGWNMRBOATO-JTQLQIEISA-N -1 3 380.192 3.685 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C3CC3)cc2F)ccc1F ZINC001438743538 1064106466 /nfs/dbraw/zinc/10/64/66/1064106466.db2.gz AYPJQVVJNDXJBA-UHFFFAOYSA-N -1 3 392.427 3.559 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001352063167 1064802714 /nfs/dbraw/zinc/80/27/14/1064802714.db2.gz PGUFHHJIHMCBLF-BEFAXECRSA-N -1 3 390.491 3.708 20 30 GHEDHM C#C[C@@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC001460796466 1069185530 /nfs/dbraw/zinc/18/55/30/1069185530.db2.gz YLYQOFOLWYBNEQ-MRXNPFEDSA-N -1 3 386.789 3.639 20 30 GHEDHM CCCCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736451074 598915245 /nfs/dbraw/zinc/91/52/45/598915245.db2.gz GLZPBKNMROXKPU-UHFFFAOYSA-N -1 3 376.420 3.560 20 30 GHEDHM CCCCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736451074 598915247 /nfs/dbraw/zinc/91/52/47/598915247.db2.gz GLZPBKNMROXKPU-UHFFFAOYSA-N -1 3 376.420 3.560 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000735447084 598924582 /nfs/dbraw/zinc/92/45/82/598924582.db2.gz ILIZNYUONFOYHY-FLIBITNWSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000735447084 598924584 /nfs/dbraw/zinc/92/45/84/598924584.db2.gz ILIZNYUONFOYHY-FLIBITNWSA-N -1 3 398.348 3.799 20 30 GHEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1c(Cl)cccc1Cl ZINC000735551719 598929258 /nfs/dbraw/zinc/92/92/58/598929258.db2.gz RYXHOBAPFMWGHE-VIFPVBQESA-N -1 3 387.230 3.787 20 30 GHEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1c(Cl)cccc1Cl ZINC000735551719 598929260 /nfs/dbraw/zinc/92/92/60/598929260.db2.gz RYXHOBAPFMWGHE-VIFPVBQESA-N -1 3 387.230 3.787 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Br)cc1F ZINC000823504064 599112547 /nfs/dbraw/zinc/11/25/47/599112547.db2.gz LLWBDRKGBYYAHT-WQLSENKSSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Br)cc1F ZINC000823504064 599112550 /nfs/dbraw/zinc/11/25/50/599112550.db2.gz LLWBDRKGBYYAHT-WQLSENKSSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823504630 599115145 /nfs/dbraw/zinc/11/51/45/599115145.db2.gz SFLRPNMWSLCQDG-KPKJPENVSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823504630 599115148 /nfs/dbraw/zinc/11/51/48/599115148.db2.gz SFLRPNMWSLCQDG-KPKJPENVSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(OC(F)(F)F)c1 ZINC000823505037 599117269 /nfs/dbraw/zinc/11/72/69/599117269.db2.gz XCKAZTAGZNNQSV-MDWZMJQESA-N -1 3 386.333 3.978 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(OC(F)(F)F)c1 ZINC000823505037 599117271 /nfs/dbraw/zinc/11/72/71/599117271.db2.gz XCKAZTAGZNNQSV-MDWZMJQESA-N -1 3 386.333 3.978 20 30 GHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736645188 599156621 /nfs/dbraw/zinc/15/66/21/599156621.db2.gz XLHIDOUZNBQWNZ-QPJJXVBHSA-N -1 3 384.823 3.824 20 30 GHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736645188 599156622 /nfs/dbraw/zinc/15/66/22/599156622.db2.gz XLHIDOUZNBQWNZ-QPJJXVBHSA-N -1 3 384.823 3.824 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737204153 599157861 /nfs/dbraw/zinc/15/78/61/599157861.db2.gz YKGPJZZHMMZVPU-RUDMXATFSA-N -1 3 392.369 3.535 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737717070 599195466 /nfs/dbraw/zinc/19/54/66/599195466.db2.gz YJYNKWINFSFIJI-CABCVRRESA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737717070 599195470 /nfs/dbraw/zinc/19/54/70/599195470.db2.gz YJYNKWINFSFIJI-CABCVRRESA-N -1 3 399.241 3.787 20 30 GHEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735691775 599201123 /nfs/dbraw/zinc/20/11/23/599201123.db2.gz PRZRNTDSXOAWJE-OAHLLOKOSA-N -1 3 396.838 3.590 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1cccnc1 ZINC000735443436 599286529 /nfs/dbraw/zinc/28/65/29/599286529.db2.gz VLVDJJOZIOXCML-CYBMUJFWSA-N -1 3 390.476 3.560 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1cccnc1 ZINC000735443436 599286532 /nfs/dbraw/zinc/28/65/32/599286532.db2.gz VLVDJJOZIOXCML-CYBMUJFWSA-N -1 3 390.476 3.560 20 30 GHEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000735451439 598313664 /nfs/dbraw/zinc/31/36/64/598313664.db2.gz ZZBPMXFEWRZALE-UHFFFAOYSA-N -1 3 389.385 3.788 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2Br)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202378 598377191 /nfs/dbraw/zinc/37/71/91/598377191.db2.gz LUEXMJIASFNXEH-HJWRWDBZSA-N -1 3 398.264 3.581 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2Br)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202378 598377192 /nfs/dbraw/zinc/37/71/92/598377192.db2.gz LUEXMJIASFNXEH-HJWRWDBZSA-N -1 3 398.264 3.581 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2Br)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202375 598377455 /nfs/dbraw/zinc/37/74/55/598377455.db2.gz LUEXMJIASFNXEH-CMDGGOBGSA-N -1 3 398.264 3.581 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2Br)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202375 598377457 /nfs/dbraw/zinc/37/74/57/598377457.db2.gz LUEXMJIASFNXEH-CMDGGOBGSA-N -1 3 398.264 3.581 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451174 598439618 /nfs/dbraw/zinc/43/96/18/598439618.db2.gz RFPUWYUNMUNXNN-UHFFFAOYSA-N -1 3 376.342 3.644 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451174 598439620 /nfs/dbraw/zinc/43/96/20/598439620.db2.gz RFPUWYUNMUNXNN-UHFFFAOYSA-N -1 3 376.342 3.644 20 30 GHEDHM N#Cc1ccc(CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C2CC2)cc1 ZINC000737713437 598475968 /nfs/dbraw/zinc/47/59/68/598475968.db2.gz XOENNGGFXYRXMP-UHFFFAOYSA-N -1 3 393.838 3.588 20 30 GHEDHM N#Cc1ccc(CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C2CC2)cc1 ZINC000737713437 598475970 /nfs/dbraw/zinc/47/59/70/598475970.db2.gz XOENNGGFXYRXMP-UHFFFAOYSA-N -1 3 393.838 3.588 20 30 GHEDHM C#CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735379965 598493503 /nfs/dbraw/zinc/49/35/03/598493503.db2.gz AHJCGHVUCOHQOV-UHFFFAOYSA-N -1 3 395.422 3.798 20 30 GHEDHM C#CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735379965 598493505 /nfs/dbraw/zinc/49/35/05/598493505.db2.gz AHJCGHVUCOHQOV-UHFFFAOYSA-N -1 3 395.422 3.798 20 30 GHEDHM N#Cc1cccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737722474 598544002 /nfs/dbraw/zinc/54/40/02/598544002.db2.gz JRLHWYDLBBEHCP-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737722474 598544004 /nfs/dbraw/zinc/54/40/04/598544004.db2.gz JRLHWYDLBBEHCP-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM CCc1cccc2c(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)c[nH]c21 ZINC000736696153 598639259 /nfs/dbraw/zinc/63/92/59/598639259.db2.gz VVYLOAVFGHTKHE-KTKRTIGZSA-N -1 3 386.459 3.863 20 30 GHEDHM CCc1cccc2c(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)c[nH]c21 ZINC000736696153 598639260 /nfs/dbraw/zinc/63/92/60/598639260.db2.gz VVYLOAVFGHTKHE-KTKRTIGZSA-N -1 3 386.459 3.863 20 30 GHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000737246994 598644405 /nfs/dbraw/zinc/64/44/05/598644405.db2.gz WVJOWIYVUOWJIS-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000737246994 598644407 /nfs/dbraw/zinc/64/44/07/598644407.db2.gz WVJOWIYVUOWJIS-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735425656 598650812 /nfs/dbraw/zinc/65/08/12/598650812.db2.gz DJXBIFZPWKCVPN-UHFFFAOYSA-N -1 3 391.475 3.631 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735425656 598650814 /nfs/dbraw/zinc/65/08/14/598650814.db2.gz DJXBIFZPWKCVPN-UHFFFAOYSA-N -1 3 391.475 3.631 20 30 GHEDHM CN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1cccc(C#N)c1 ZINC000736740841 599564739 /nfs/dbraw/zinc/56/47/39/599564739.db2.gz GZGLQFYEUDIDAG-UHFFFAOYSA-N -1 3 395.426 3.759 20 30 GHEDHM CC(C)(C)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735602616 599617218 /nfs/dbraw/zinc/61/72/18/599617218.db2.gz DXPUQAPEICTSRF-CQSZACIVSA-N -1 3 380.477 3.993 20 30 GHEDHM CC(C)(C)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735602616 599617220 /nfs/dbraw/zinc/61/72/20/599617220.db2.gz DXPUQAPEICTSRF-CQSZACIVSA-N -1 3 380.477 3.993 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](c1ccccc1)C(C)C ZINC000819743535 599629970 /nfs/dbraw/zinc/62/99/70/599629970.db2.gz LJXKRQQXIUSDJM-FQEVSTJZSA-N -1 3 375.476 3.821 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](c1ccccc1)C(C)C ZINC000819743535 599629971 /nfs/dbraw/zinc/62/99/71/599629971.db2.gz LJXKRQQXIUSDJM-FQEVSTJZSA-N -1 3 375.476 3.821 20 30 GHEDHM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820831736 599689723 /nfs/dbraw/zinc/68/97/23/599689723.db2.gz BMIYXHXCJLEIOU-XFXZXTDPSA-N -1 3 378.823 3.824 20 30 GHEDHM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820831736 599689724 /nfs/dbraw/zinc/68/97/24/599689724.db2.gz BMIYXHXCJLEIOU-XFXZXTDPSA-N -1 3 378.823 3.824 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000736849532 600437988 /nfs/dbraw/zinc/43/79/88/600437988.db2.gz UCZLZLBAUUKVTD-VQIMIIECSA-N -1 3 388.851 3.945 20 30 GHEDHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000737949885 600590960 /nfs/dbraw/zinc/59/09/60/600590960.db2.gz PFYKLSSDJGGIOZ-DIFFPNOSSA-N -1 3 389.249 3.806 20 30 GHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000738217256 600598627 /nfs/dbraw/zinc/59/86/27/600598627.db2.gz QTPLSMZGLYLLJG-QLJPJBMISA-N -1 3 377.213 3.936 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000822923818 607457264 /nfs/dbraw/zinc/45/72/64/607457264.db2.gz VGGISKVEVUCHHA-FLIBITNWSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000822923818 607457265 /nfs/dbraw/zinc/45/72/65/607457265.db2.gz VGGISKVEVUCHHA-FLIBITNWSA-N -1 3 377.423 3.892 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740277697 602670253 /nfs/dbraw/zinc/67/02/53/602670253.db2.gz MFQHALLNOCQBHA-JKSUJKDBSA-N -1 3 376.416 3.539 20 30 GHEDHM N#Cc1cccc(CC(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822837161 606487357 /nfs/dbraw/zinc/48/73/57/606487357.db2.gz HTIOIHDQQNSXOB-UHFFFAOYSA-N -1 3 381.395 3.553 20 30 GHEDHM N#Cc1cccc(CC(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822837161 606487358 /nfs/dbraw/zinc/48/73/58/606487358.db2.gz HTIOIHDQQNSXOB-UHFFFAOYSA-N -1 3 381.395 3.553 20 30 GHEDHM N#Cc1c2c(sc1NC(=O)c1cc(-c3nnn[n-]3)cs1)CCCCCC2 ZINC000822818545 606495966 /nfs/dbraw/zinc/49/59/66/606495966.db2.gz CGKLRWURBJWDAO-UHFFFAOYSA-N -1 3 384.490 3.773 20 30 GHEDHM N#Cc1c2c(sc1NC(=O)c1cc(-c3nn[n-]n3)cs1)CCCCCC2 ZINC000822818545 606495968 /nfs/dbraw/zinc/49/59/68/606495968.db2.gz CGKLRWURBJWDAO-UHFFFAOYSA-N -1 3 384.490 3.773 20 30 GHEDHM C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819739720 606614112 /nfs/dbraw/zinc/61/41/12/606614112.db2.gz FEGSIDJVJOFBKC-INIZCTEOSA-N -1 3 389.459 3.502 20 30 GHEDHM C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819739720 606614114 /nfs/dbraw/zinc/61/41/14/606614114.db2.gz FEGSIDJVJOFBKC-INIZCTEOSA-N -1 3 389.459 3.502 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2sccc2c1 ZINC000819745472 606714877 /nfs/dbraw/zinc/71/48/77/606714877.db2.gz FLLLUVQVGIBCOQ-UHFFFAOYSA-N -1 3 375.457 3.910 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2sccc2c1 ZINC000819745472 606714879 /nfs/dbraw/zinc/71/48/79/606714879.db2.gz FLLLUVQVGIBCOQ-UHFFFAOYSA-N -1 3 375.457 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2OC(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822258831 606764022 /nfs/dbraw/zinc/76/40/22/606764022.db2.gz DMJAPSFBCRFUBN-SREVYHEPSA-N -1 3 399.401 3.729 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2OC(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822258831 606764024 /nfs/dbraw/zinc/76/40/24/606764024.db2.gz DMJAPSFBCRFUBN-SREVYHEPSA-N -1 3 399.401 3.729 20 30 GHEDHM C#CCN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCCC1 ZINC000819698340 606831142 /nfs/dbraw/zinc/83/11/42/606831142.db2.gz XGKFKZNYTGVBBG-UHFFFAOYSA-N -1 3 387.443 3.677 20 30 GHEDHM C#CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000819698340 606831143 /nfs/dbraw/zinc/83/11/43/606831143.db2.gz XGKFKZNYTGVBBG-UHFFFAOYSA-N -1 3 387.443 3.677 20 30 GHEDHM N#Cc1cccnc1Oc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822842449 606928013 /nfs/dbraw/zinc/92/80/13/606928013.db2.gz ITEFNCRFBMDAAP-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM N#Cc1cccnc1Oc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822842449 606928014 /nfs/dbraw/zinc/92/80/14/606928014.db2.gz ITEFNCRFBMDAAP-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Br)c(F)c1 ZINC000822922637 607122859 /nfs/dbraw/zinc/12/28/59/607122859.db2.gz IJBSRJZMKRFNMO-DJWKRKHSSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Br)c(F)c1 ZINC000822922297 607123034 /nfs/dbraw/zinc/12/30/34/607123034.db2.gz FGKCDFVSQPPYAR-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Br)c(F)c1 ZINC000822922297 607123035 /nfs/dbraw/zinc/12/30/35/607123035.db2.gz FGKCDFVSQPPYAR-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)OCC ZINC000823873124 607886051 /nfs/dbraw/zinc/88/60/51/607886051.db2.gz JAAWIYFXCGYPPR-LJQANCHMSA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)OCC ZINC000823873124 607886052 /nfs/dbraw/zinc/88/60/52/607886052.db2.gz JAAWIYFXCGYPPR-LJQANCHMSA-N -1 3 393.447 3.969 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000823909471 607888427 /nfs/dbraw/zinc/88/84/27/607888427.db2.gz FOVABWRRUZXCKL-HNNXBMFYSA-N -1 3 395.894 3.914 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000823909471 607888428 /nfs/dbraw/zinc/88/84/28/607888428.db2.gz FOVABWRRUZXCKL-HNNXBMFYSA-N -1 3 395.894 3.914 20 30 GHEDHM N#C[C@@H](OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000826379884 608075516 /nfs/dbraw/zinc/07/55/16/608075516.db2.gz GBNRFSHJYXEUAL-QGZVFWFLSA-N -1 3 395.806 3.771 20 30 GHEDHM N#C[C@@H](OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000826379884 608075517 /nfs/dbraw/zinc/07/55/17/608075517.db2.gz GBNRFSHJYXEUAL-QGZVFWFLSA-N -1 3 395.806 3.771 20 30 GHEDHM CCCCCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825271782 608080070 /nfs/dbraw/zinc/08/00/70/608080070.db2.gz OAUGTIGIWFWCSR-LJQANCHMSA-N -1 3 385.512 3.907 20 30 GHEDHM CCCCCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825271782 608080071 /nfs/dbraw/zinc/08/00/71/608080071.db2.gz OAUGTIGIWFWCSR-LJQANCHMSA-N -1 3 385.512 3.907 20 30 GHEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(Cl)c1O ZINC000825615864 608093426 /nfs/dbraw/zinc/09/34/26/608093426.db2.gz NTHXJCVOVKTOAT-ONEGZZNKSA-N -1 3 376.825 3.582 20 30 GHEDHM C[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824926061 608141769 /nfs/dbraw/zinc/14/17/69/608141769.db2.gz INXAPCLHMDFTLF-KCPJHIHWSA-N -1 3 378.461 3.603 20 30 GHEDHM C[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824926061 608141770 /nfs/dbraw/zinc/14/17/70/608141770.db2.gz INXAPCLHMDFTLF-KCPJHIHWSA-N -1 3 378.461 3.603 20 30 GHEDHM C=CCN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)C1CC1 ZINC000823904014 608264640 /nfs/dbraw/zinc/26/46/40/608264640.db2.gz RGOZSLRSJORPLK-UHFFFAOYSA-N -1 3 394.410 3.980 20 30 GHEDHM C=CCN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C1CC1 ZINC000823904014 608264641 /nfs/dbraw/zinc/26/46/41/608264641.db2.gz RGOZSLRSJORPLK-UHFFFAOYSA-N -1 3 394.410 3.980 20 30 GHEDHM CS[C@H](C)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826224377 608331740 /nfs/dbraw/zinc/33/17/40/608331740.db2.gz BRPVHELBQSUZIV-BXUZGUMPSA-N -1 3 398.517 3.698 20 30 GHEDHM CS[C@H](C)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826224377 608331742 /nfs/dbraw/zinc/33/17/42/608331742.db2.gz BRPVHELBQSUZIV-BXUZGUMPSA-N -1 3 398.517 3.698 20 30 GHEDHM Cc1cc(C)c2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCCO2 ZINC000826264023 608537403 /nfs/dbraw/zinc/53/74/03/608537403.db2.gz ZPCCGXJWLZRZMX-UHFFFAOYSA-N -1 3 383.843 3.521 20 30 GHEDHM Cc1cc(C)c2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCCO2 ZINC000826264023 608537404 /nfs/dbraw/zinc/53/74/04/608537404.db2.gz ZPCCGXJWLZRZMX-UHFFFAOYSA-N -1 3 383.843 3.521 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(-c2ccncc2)c1 ZINC000823958571 608539829 /nfs/dbraw/zinc/53/98/29/608539829.db2.gz RCNMGZJFVRCINE-UHFFFAOYSA-N -1 3 390.838 3.813 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(-c2ccncc2)c1 ZINC000823958571 608539831 /nfs/dbraw/zinc/53/98/31/608539831.db2.gz RCNMGZJFVRCINE-UHFFFAOYSA-N -1 3 390.838 3.813 20 30 GHEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826211173 609134225 /nfs/dbraw/zinc/13/42/25/609134225.db2.gz RXDPDYSATMSOHE-ZZXKWVIFSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826211173 609134227 /nfs/dbraw/zinc/13/42/27/609134227.db2.gz RXDPDYSATMSOHE-ZZXKWVIFSA-N -1 3 390.321 3.512 20 30 GHEDHM C=CCC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000823893939 609227659 /nfs/dbraw/zinc/22/76/59/609227659.db2.gz BSOSDSDTAYRFID-CQSZACIVSA-N -1 3 390.369 3.651 20 30 GHEDHM C=CCC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000823893939 609227660 /nfs/dbraw/zinc/22/76/60/609227660.db2.gz BSOSDSDTAYRFID-CQSZACIVSA-N -1 3 390.369 3.651 20 30 GHEDHM CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385842 609298132 /nfs/dbraw/zinc/29/81/32/609298132.db2.gz TZBYKUROUNUXIQ-GFCCVEGCSA-N -1 3 380.839 3.615 20 30 GHEDHM CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385842 609298133 /nfs/dbraw/zinc/29/81/33/609298133.db2.gz TZBYKUROUNUXIQ-GFCCVEGCSA-N -1 3 380.839 3.615 20 30 GHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305076 609309457 /nfs/dbraw/zinc/30/94/57/609309457.db2.gz JRYXIQZJCLQPCI-AXLWCPOOSA-N -1 3 396.454 3.959 20 30 GHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305076 609309459 /nfs/dbraw/zinc/30/94/59/609309459.db2.gz JRYXIQZJCLQPCI-AXLWCPOOSA-N -1 3 396.454 3.959 20 30 GHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305077 609309783 /nfs/dbraw/zinc/30/97/83/609309783.db2.gz JRYXIQZJCLQPCI-HIPSJFSSSA-N -1 3 396.454 3.959 20 30 GHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305077 609309784 /nfs/dbraw/zinc/30/97/84/609309784.db2.gz JRYXIQZJCLQPCI-HIPSJFSSSA-N -1 3 396.454 3.959 20 30 GHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000823873147 609380815 /nfs/dbraw/zinc/38/08/15/609380815.db2.gz JMXAGNGOFVPCCM-UHFFFAOYSA-N -1 3 394.435 3.707 20 30 GHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000823873147 609380818 /nfs/dbraw/zinc/38/08/18/609380818.db2.gz JMXAGNGOFVPCCM-UHFFFAOYSA-N -1 3 394.435 3.707 20 30 GHEDHM C=CCOc1ccc(CNc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)cc1 ZINC000823931792 609487630 /nfs/dbraw/zinc/48/76/30/609487630.db2.gz FFQMFMCWAUMMMP-UHFFFAOYSA-N -1 3 394.435 3.612 20 30 GHEDHM C=CCOc1ccc(CNc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)cc1 ZINC000823931792 609487633 /nfs/dbraw/zinc/48/76/33/609487633.db2.gz FFQMFMCWAUMMMP-UHFFFAOYSA-N -1 3 394.435 3.612 20 30 GHEDHM C#CCCCCCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000823841752 609527287 /nfs/dbraw/zinc/52/72/87/609527287.db2.gz SERSUFYCWNVYLI-UHFFFAOYSA-N -1 3 390.447 3.885 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(Cl)c1Cl ZINC000135374835 834568632 /nfs/dbraw/zinc/56/86/32/834568632.db2.gz GLXSMTRVBHQHKG-UHFFFAOYSA-N -1 3 375.208 3.814 20 30 GHEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCN1c1ccccc1F ZINC000255715930 835666594 /nfs/dbraw/zinc/66/65/94/835666594.db2.gz DCUQSGUVANLAQQ-IPZKOZABSA-N -1 3 377.213 3.518 20 30 GHEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000032627320 835746542 /nfs/dbraw/zinc/74/65/42/835746542.db2.gz VYPNLPHKCBARQD-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000032627320 835746549 /nfs/dbraw/zinc/74/65/49/835746549.db2.gz VYPNLPHKCBARQD-UHFFFAOYSA-N -1 3 387.321 3.526 20 30 GHEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cc(C)ccc1OC ZINC000179525582 835864481 /nfs/dbraw/zinc/86/44/81/835864481.db2.gz BGEPDJHHZYTAFB-IBGZPJMESA-N -1 3 382.460 3.808 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC000657129612 844142202 /nfs/dbraw/zinc/14/22/02/844142202.db2.gz VODSSNRBWFBXPW-UHFFFAOYSA-N -1 3 394.718 3.506 20 30 GHEDHM Cc1ccc(C2(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)c(C)c1 ZINC000452297652 838716567 /nfs/dbraw/zinc/71/65/67/838716567.db2.gz ODTPIRMDCXOLJU-UHFFFAOYSA-N -1 3 377.488 3.673 20 30 GHEDHM N#Cc1cccc(-c2cc(C(=O)Nc3cc(Br)ccc3[O-])on2)c1 ZINC000565697008 839286743 /nfs/dbraw/zinc/28/67/43/839286743.db2.gz QHSUSURGCFYMLU-UHFFFAOYSA-N -1 3 384.189 3.934 20 30 GHEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1 ZINC000584786603 840870397 /nfs/dbraw/zinc/87/03/97/840870397.db2.gz RLHFIVISSROVIO-LLVKDONJSA-N -1 3 389.255 3.927 20 30 GHEDHM N#CCCn1ncc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1-c1ccccc1 ZINC000430668716 842439940 /nfs/dbraw/zinc/43/99/40/842439940.db2.gz YFUCQLINUFKYLL-UHFFFAOYSA-N -1 3 382.427 3.528 20 30 GHEDHM N#Cc1cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000891709345 842712307 /nfs/dbraw/zinc/71/23/07/842712307.db2.gz QELMWOGDJGUQJH-UHFFFAOYSA-N -1 3 375.881 3.829 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)sc1Br ZINC000150005952 845374378 /nfs/dbraw/zinc/37/43/78/845374378.db2.gz GPNSUMAXQFZUQU-SNVBAGLBSA-N -1 3 385.308 3.730 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509780980 845390474 /nfs/dbraw/zinc/39/04/74/845390474.db2.gz GEFWTGOPDYUUGC-HZMBPMFUSA-N -1 3 383.819 3.618 20 30 GHEDHM Cc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c(C#N)c1C ZINC000182713180 845524118 /nfs/dbraw/zinc/52/41/18/845524118.db2.gz AOYGMSJECYONAS-UHFFFAOYSA-N -1 3 395.469 3.815 20 30 GHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000664293008 847289732 /nfs/dbraw/zinc/28/97/32/847289732.db2.gz SGPJXKVZONKVIQ-ZBFHGGJFSA-N -1 3 395.525 3.713 20 30 GHEDHM O=C([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000509171329 862172948 /nfs/dbraw/zinc/17/29/48/862172948.db2.gz MFQMWLFFTWKWMA-NSHDSACASA-N -1 3 392.702 3.693 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3nnc4ccccc4c3[O-])cn2)c1 ZINC000732284447 862191020 /nfs/dbraw/zinc/19/10/20/862191020.db2.gz QPSTVHNIOXBUKJ-UHFFFAOYSA-N -1 3 383.367 3.647 20 30 GHEDHM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000366591965 851550531 /nfs/dbraw/zinc/55/05/31/851550531.db2.gz XEQZJGYHJCIJSR-UHFFFAOYSA-N -1 3 375.432 3.546 20 30 GHEDHM Cc1cccn2c1ncc(C([O-])=C(C#N)c1nc(-c3ccccc3)cs1)c2=O ZINC000180740405 862309206 /nfs/dbraw/zinc/30/92/06/862309206.db2.gz LXLSELSPSZGDFX-HNNXBMFYSA-N -1 3 386.436 3.617 20 30 GHEDHM Cc1cccc(C)c1OCCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000733010462 862662636 /nfs/dbraw/zinc/66/26/36/862662636.db2.gz DGUYLMJZHICHDY-UHFFFAOYSA-N -1 3 382.460 3.837 20 30 GHEDHM C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000428047543 857058709 /nfs/dbraw/zinc/05/87/09/857058709.db2.gz FMOTYOOWJDGALF-INIZCTEOSA-N -1 3 388.464 3.807 20 30 GHEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCCC1 ZINC000594883793 858290673 /nfs/dbraw/zinc/29/06/73/858290673.db2.gz IHWNYMPDYKUBSL-UHFFFAOYSA-N -1 3 391.718 3.855 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(CSc4nccn4C)o3)nc21 ZINC000605363209 863008652 /nfs/dbraw/zinc/00/86/52/863008652.db2.gz OUNULRPQZMESFJ-AWEZNQCLSA-N -1 3 391.456 3.980 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)cc1[O-] ZINC000443041233 858327154 /nfs/dbraw/zinc/32/71/54/858327154.db2.gz AVDYNHNBJLCCJY-UHFFFAOYSA-N -1 3 381.395 3.968 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc1[O-] ZINC000443041233 858327157 /nfs/dbraw/zinc/32/71/57/858327157.db2.gz AVDYNHNBJLCCJY-UHFFFAOYSA-N -1 3 381.395 3.968 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cc1[O-] ZINC000443041233 858327161 /nfs/dbraw/zinc/32/71/61/858327161.db2.gz AVDYNHNBJLCCJY-UHFFFAOYSA-N -1 3 381.395 3.968 20 30 GHEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000443221416 858483973 /nfs/dbraw/zinc/48/39/73/858483973.db2.gz CJSHGLCPILISNR-UHFFFAOYSA-N -1 3 391.718 3.711 20 30 GHEDHM CCCCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000059889773 858737314 /nfs/dbraw/zinc/73/73/14/858737314.db2.gz DGTPYMQDFPCVEG-UHFFFAOYSA-N -1 3 381.476 3.922 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593219814 859047391 /nfs/dbraw/zinc/04/73/91/859047391.db2.gz ZJBXHNQNDFRXCU-JOCHJYFZSA-N -1 3 381.451 3.538 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)CSc1ccccc1 ZINC000593219759 859047519 /nfs/dbraw/zinc/04/75/19/859047519.db2.gz XTJMTNPNXIUAEL-CQSZACIVSA-N -1 3 383.517 3.848 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(OCC(C)C)cc1 ZINC000920007358 881386622 /nfs/dbraw/zinc/38/66/22/881386622.db2.gz RDXQGUWWQWWQQN-UHFFFAOYSA-N -1 3 382.460 3.987 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000593300034 859343702 /nfs/dbraw/zinc/34/37/02/859343702.db2.gz LVVKJWWEIUMLQT-SFHVURJKSA-N -1 3 397.450 3.766 20 30 GHEDHM N#CC1(CC(=O)Nc2cc(I)ccc2[O-])CCCCC1 ZINC000597441781 859552009 /nfs/dbraw/zinc/55/20/09/859552009.db2.gz OXBUYNYVHGSTAH-UHFFFAOYSA-N -1 3 384.217 3.799 20 30 GHEDHM COc1cccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000727058768 859911453 /nfs/dbraw/zinc/91/14/53/859911453.db2.gz UUBSYEFYLQZINE-UHFFFAOYSA-N -1 3 381.457 3.942 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000123357524 859934999 /nfs/dbraw/zinc/93/49/99/859934999.db2.gz LITWANWQACPFBA-NRFANRHFSA-N -1 3 377.488 3.626 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000124232536 860284895 /nfs/dbraw/zinc/28/48/95/860284895.db2.gz PPZIEJLDQPIELA-LLVKDONJSA-N -1 3 389.424 3.772 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)cc2)c1 ZINC000436677641 860546817 /nfs/dbraw/zinc/54/68/17/860546817.db2.gz YJYACLCATLEFTC-UHFFFAOYSA-N -1 3 388.379 3.824 20 30 GHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cn(-c4ccc(Cl)cc4)nn3)[nH]c21 ZINC000522829120 863507903 /nfs/dbraw/zinc/50/79/03/863507903.db2.gz PTYKYLFJAZHPER-AWEZNQCLSA-N -1 3 376.807 3.596 20 30 GHEDHM CC(C)(C)c1ccc(C(=O)C[N-]S(=O)(=O)CC2(C#N)CCCCC2)cc1 ZINC000444278693 863804209 /nfs/dbraw/zinc/80/42/09/863804209.db2.gz UOAHXQZJYIMIGT-UHFFFAOYSA-N -1 3 376.522 3.560 20 30 GHEDHM Cc1ccc2[nH]cc(C=Nn3c(=S)[n-]nc3[C@@H]3COc4ccccc4O3)c2c1 ZINC000735613095 864881532 /nfs/dbraw/zinc/88/15/32/864881532.db2.gz YUEHNBHSNIRGLJ-SFHVURJKSA-N -1 3 391.456 3.751 20 30 GHEDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736193933 865152311 /nfs/dbraw/zinc/15/23/11/865152311.db2.gz UYZKGSDZRYSWFW-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736193933 865152318 /nfs/dbraw/zinc/15/23/18/865152318.db2.gz UYZKGSDZRYSWFW-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736330839 865182166 /nfs/dbraw/zinc/18/21/66/865182166.db2.gz ZWQKJKZVNWDKPF-MARXPDLDSA-N -1 3 388.431 3.568 20 30 GHEDHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736330839 865182173 /nfs/dbraw/zinc/18/21/73/865182173.db2.gz ZWQKJKZVNWDKPF-MARXPDLDSA-N -1 3 388.431 3.568 20 30 GHEDHM CCOC(=O)[C@@H](Cc1ccccc1)/N=C/c1cc(Br)ccc1[O-] ZINC000920173360 881882081 /nfs/dbraw/zinc/88/20/81/881882081.db2.gz CSOARCXWLRPZPN-DDLUMYACSA-N -1 3 376.250 3.748 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1N1CCSCC1 ZINC000740811623 866029491 /nfs/dbraw/zinc/02/94/91/866029491.db2.gz QFHRPBNPERDTMT-UHFFFAOYSA-N -1 3 387.530 3.529 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Oc2ccccc2Cl)nc1 ZINC000747106026 881984015 /nfs/dbraw/zinc/98/40/15/881984015.db2.gz JOCNYZBODBVDQM-CQSZACIVSA-N -1 3 392.802 3.883 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000535094082 868154661 /nfs/dbraw/zinc/15/46/61/868154661.db2.gz FMJIIIGASRKVSV-AWEZNQCLSA-N -1 3 378.215 3.652 20 30 GHEDHM O=C1C(=N[N-]c2nc(C(F)(F)F)nc3ccccc32)CCN1Cc1ccccc1 ZINC000743429836 868179483 /nfs/dbraw/zinc/17/94/83/868179483.db2.gz BKUKJNITZYOHRK-UHFFFAOYSA-N -1 3 399.376 3.849 20 30 GHEDHM COc1ccc2oc(C(C)=N[N-]S(=O)(=O)CCc3ccccc3)c(C)c2c1 ZINC000743449017 868196697 /nfs/dbraw/zinc/19/66/97/868196697.db2.gz KEBSULKKQJWPMM-UHFFFAOYSA-N -1 3 386.473 3.636 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(OCC(C)C)c1 ZINC000793403741 882179011 /nfs/dbraw/zinc/17/90/11/882179011.db2.gz GADJNIAQPUATKN-UHFFFAOYSA-N -1 3 382.460 3.987 20 30 GHEDHM CC(C)(C)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC001192335609 870296123 /nfs/dbraw/zinc/29/61/23/870296123.db2.gz LDMGWBAABSXYBI-UHFFFAOYSA-N -1 3 391.515 3.978 20 30 GHEDHM C=CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccncc1 ZINC000767018149 872175456 /nfs/dbraw/zinc/17/54/56/872175456.db2.gz GOARZBPIFZJTRA-OAHLLOKOSA-N -1 3 376.254 3.666 20 30 GHEDHM CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000768006019 873014973 /nfs/dbraw/zinc/01/49/73/873014973.db2.gz UWOBNCPSDQZQLJ-IBGZPJMESA-N -1 3 392.455 3.541 20 30 GHEDHM Cc1cc(Br)oc1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001197317530 873704071 /nfs/dbraw/zinc/70/40/71/873704071.db2.gz CTEOINRNBGGWJK-UHFFFAOYSA-N -1 3 383.205 3.932 20 30 GHEDHM N#Cc1cnc2ccccc2c1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769196343 873877466 /nfs/dbraw/zinc/87/74/66/873877466.db2.gz VBVVTOUBNHWGPA-UHFFFAOYSA-N -1 3 378.863 3.788 20 30 GHEDHM CCC[C@@]1(C(F)(F)F)CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000494669849 882783161 /nfs/dbraw/zinc/78/31/61/882783161.db2.gz CYXNMEMZWIMWPM-SFHVURJKSA-N -1 3 383.414 3.932 20 30 GHEDHM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1cccc(OC(F)F)c1 ZINC000769810797 874302154 /nfs/dbraw/zinc/30/21/54/874302154.db2.gz SWRLGVAUNJBBKF-UHFFFAOYSA-N -1 3 390.394 3.724 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC(C)(C)C)c1 ZINC000770098097 874457251 /nfs/dbraw/zinc/45/72/51/874457251.db2.gz BWAFSGQGWCWWCS-MRXNPFEDSA-N -1 3 394.427 3.612 20 30 GHEDHM C=CCCCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000770275180 874561391 /nfs/dbraw/zinc/56/13/91/874561391.db2.gz KGZUKWJDCIRWNV-UHFFFAOYSA-N -1 3 391.320 3.520 20 30 GHEDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c2ccccn2)c1 ZINC000129874322 874922641 /nfs/dbraw/zinc/92/26/41/874922641.db2.gz SDTPIMAWTHLDMX-HXUWFJFHSA-N -1 3 397.887 3.983 20 30 GHEDHM COc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323046 875633796 /nfs/dbraw/zinc/63/37/96/875633796.db2.gz XTCNWRBWJMNVPD-UHFFFAOYSA-N -1 3 399.241 3.578 20 30 GHEDHM CCOC(=O)[C@@H](CCOC(C)(C)C)/N=C/c1cc(Br)ccc1[O-] ZINC000776256080 876067134 /nfs/dbraw/zinc/06/71/34/876067134.db2.gz ALYVZVLPPIQTGN-HIPSJFSSSA-N -1 3 386.286 3.711 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)c(F)c1 ZINC000610081041 877372262 /nfs/dbraw/zinc/37/22/62/877372262.db2.gz HQRCVOFALBXRSG-GOSISDBHSA-N -1 3 390.436 3.966 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccnc2ccccc12 ZINC000851301948 877578859 /nfs/dbraw/zinc/57/88/59/877578859.db2.gz LHKIMJDOHKNOKS-UHFFFAOYSA-N -1 3 375.428 3.542 20 30 GHEDHM N#Cc1ccccc1C1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001183294058 912400922 /nfs/dbraw/zinc/40/09/22/912400922.db2.gz YYBRLTXZCSYXNI-UHFFFAOYSA-N -1 3 377.831 3.813 20 30 GHEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCN1c1ccccc1F ZINC000112224137 879799990 /nfs/dbraw/zinc/79/99/90/879799990.db2.gz DCUQSGUVANLAQQ-DGURAOSJSA-N -1 3 377.213 3.518 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOc1ccc(Cl)c(F)c1 ZINC000791302652 880312202 /nfs/dbraw/zinc/31/22/02/880312202.db2.gz QQEBLWLXSLUFKV-UHFFFAOYSA-N -1 3 392.814 3.623 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC(C)C)C2CCCC2)ccc1F ZINC000914511294 883960176 /nfs/dbraw/zinc/96/01/76/883960176.db2.gz DJZSDMXCYGZFGS-UHFFFAOYSA-N -1 3 396.528 3.721 20 30 GHEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000805782444 884065218 /nfs/dbraw/zinc/06/52/18/884065218.db2.gz LOWNQRRPEFEMSS-INIZCTEOSA-N -1 3 387.277 3.589 20 30 GHEDHM Cc1ccc2c(Cc3noc(CCc4c(C)[n-]c(=O)c(C#N)c4C)n3)c[nH]c2c1 ZINC000761902415 884959959 /nfs/dbraw/zinc/95/99/59/884959959.db2.gz SBQBFDSSKZSCQR-UHFFFAOYSA-N -1 3 387.443 3.824 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nc(C)cs1 ZINC000104760056 885605062 /nfs/dbraw/zinc/60/50/62/885605062.db2.gz AYRMSJUSSQYDFW-GFCCVEGCSA-N -1 3 389.424 3.772 20 30 GHEDHM [O-]c1ccc(F)c(C=NN2C(=S)N=NC2c2ccc(OC(F)F)cc2)c1F ZINC000794482512 886844755 /nfs/dbraw/zinc/84/47/55/886844755.db2.gz QIBUAEHEGHFIFX-UHFFFAOYSA-N -1 3 398.341 3.701 20 30 GHEDHM CCC[C@H](C)c1noc([C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000809361116 887367020 /nfs/dbraw/zinc/36/70/20/887367020.db2.gz KFNRCLGTHGUYDT-ZFWWWQNUSA-N -1 3 390.509 3.799 20 30 GHEDHM COc1cc([N-]C(=O)c2cc(COc3ccccc3F)on2)c(F)cc1C#N ZINC001131704932 887389509 /nfs/dbraw/zinc/38/95/09/887389509.db2.gz PQELTGXHAAEZJN-UHFFFAOYSA-N -1 3 385.326 3.664 20 30 GHEDHM CC(C)(C)c1ccc(C(=O)NCC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001184293016 913143580 /nfs/dbraw/zinc/14/35/80/913143580.db2.gz BGOIPIGADIABII-UHFFFAOYSA-N -1 3 382.504 3.955 20 30 GHEDHM COc1ccc(OC(F)F)c(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000763103519 887665238 /nfs/dbraw/zinc/66/52/38/887665238.db2.gz DHEMSNICOBOFCK-GQCTYLIASA-N -1 3 380.343 3.916 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000120105628 887844674 /nfs/dbraw/zinc/84/46/74/887844674.db2.gz ZGEIGPUAYRFILM-OAHLLOKOSA-N -1 3 380.297 3.814 20 30 GHEDHM C[C@H](N[C@H](CCO)c1ccccc1Br)c1cccc(C#N)c1[O-] ZINC000866335098 888835342 /nfs/dbraw/zinc/83/53/42/888835342.db2.gz DNECHLPBQYINOI-YVEFUNNKSA-N -1 3 375.266 3.801 20 30 GHEDHM CCOC(=O)CCOc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794935593 888952742 /nfs/dbraw/zinc/95/27/42/888952742.db2.gz SGMIFTXQLKFLCG-VQHVLOKHSA-N -1 3 376.355 3.899 20 30 GHEDHM O=C(c1ccccc1)N1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000016703052 889127246 /nfs/dbraw/zinc/12/72/46/889127246.db2.gz QIPASNRPCYVHQE-FYJGNVAPSA-N -1 3 387.277 3.878 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000811186324 889272937 /nfs/dbraw/zinc/27/29/37/889272937.db2.gz KQPKWSZAHKGLBY-NRFANRHFSA-N -1 3 396.418 3.607 20 30 GHEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCSc2ccccc21 ZINC000811187932 889273676 /nfs/dbraw/zinc/27/36/76/889273676.db2.gz QAPSUXQFVIFQRO-LJQANCHMSA-N -1 3 396.468 3.584 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)sc1Br ZINC000123598522 889342179 /nfs/dbraw/zinc/34/21/79/889342179.db2.gz HNXYBNYICCHJSF-LLVKDONJSA-N -1 3 377.329 3.570 20 30 GHEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cccc(OC)c1 ZINC000124217460 889551723 /nfs/dbraw/zinc/55/17/23/889551723.db2.gz IUBDTQIWYIXAPO-CYBMUJFWSA-N -1 3 383.477 3.797 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c(C#N)cc1N(C)C ZINC000811833115 890018945 /nfs/dbraw/zinc/01/89/45/890018945.db2.gz MQVXIWOFYQCYHX-CMDGGOBGSA-N -1 3 375.881 3.999 20 30 GHEDHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000173616570 890199746 /nfs/dbraw/zinc/19/97/46/890199746.db2.gz LAWFIBUUAPEYDZ-XOBRGWDASA-N -1 3 395.503 3.951 20 30 GHEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)C[C@@H](C)O1 ZINC000870314001 890309013 /nfs/dbraw/zinc/30/90/13/890309013.db2.gz CWLQEERNBJYMPX-GPMSIDNRSA-N -1 3 386.455 3.733 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916911440 890412792 /nfs/dbraw/zinc/41/27/92/890412792.db2.gz MCHVKGQWLJSIHL-GFCCVEGCSA-N -1 3 383.747 3.956 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cc2ccccc2o1 ZINC000812422338 890613341 /nfs/dbraw/zinc/61/33/41/890613341.db2.gz CKCHTLPOMCTVIK-QGZVFWFLSA-N -1 3 378.413 3.708 20 30 GHEDHM CCOc1c(C)cc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000067643883 891589124 /nfs/dbraw/zinc/58/91/24/891589124.db2.gz AHQHECUSIRSWEX-UHFFFAOYSA-N -1 3 382.460 3.555 20 30 GHEDHM CC(C)(C)C[C@@H]([N-]C(=O)C(=O)Nc1cc(F)c(F)c(F)c1F)C(F)(F)F ZINC000873794130 891810850 /nfs/dbraw/zinc/81/08/50/891810850.db2.gz MVPNYCAIXCILSE-MRVPVSSYSA-N -1 3 388.283 3.665 20 30 GHEDHM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n2n1 ZINC000917431099 891990948 /nfs/dbraw/zinc/99/09/48/891990948.db2.gz YXHXAIQQBCPQCW-LBPRGKRZSA-N -1 3 380.358 3.581 20 30 GHEDHM COC(=O)COc1ccc(N=Cc2cc(Br)ccc2[O-])c(C)c1 ZINC000917558781 892166836 /nfs/dbraw/zinc/16/68/36/892166836.db2.gz YEFZTVKMUAMXMX-UHFFFAOYSA-N -1 3 378.222 3.766 20 30 GHEDHM Cc1cc(Cl)cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000814741514 893135149 /nfs/dbraw/zinc/13/51/49/893135149.db2.gz FIGAUKOADARNKZ-MRXNPFEDSA-N -1 3 386.864 3.923 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=C2COc3ccccc32)cc1 ZINC000814829758 893211542 /nfs/dbraw/zinc/21/15/42/893211542.db2.gz JDRWYSJBYQHHEM-UHFFFAOYSA-N -1 3 379.441 3.696 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nsc3ccc(C)cc32)cc1OC ZINC000815909242 894285922 /nfs/dbraw/zinc/28/59/22/894285922.db2.gz VNOVNXMCMUZSNE-CQSZACIVSA-N -1 3 395.440 3.583 20 30 GHEDHM N#CC(=C([O-])c1ccc(Cn2cncn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000041522668 896366907 /nfs/dbraw/zinc/36/69/07/896366907.db2.gz QBOUBWWZRNZTNI-SFHVURJKSA-N -1 3 385.452 3.940 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccc(Cl)c1)C(F)F ZINC000882733996 896942406 /nfs/dbraw/zinc/94/24/06/896942406.db2.gz PTWAWXCNOIRTED-KRWDZBQOSA-N -1 3 393.821 3.984 20 30 GHEDHM N#C[C@@H](NC(=O)CCCCCCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001185930604 914210593 /nfs/dbraw/zinc/21/05/93/914210593.db2.gz XYWRVMYDIZOCJV-HXUWFJFHSA-N -1 3 393.487 3.844 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC000103050532 898064314 /nfs/dbraw/zinc/06/43/14/898064314.db2.gz UOQNVOXNXKSNNY-GOSISDBHSA-N -1 3 391.393 3.558 20 30 GHEDHM COc1nn(C)cc1C(=O)[N-]c1cc(C(F)(F)F)ccc1SCCC#N ZINC000883960636 898270342 /nfs/dbraw/zinc/27/03/42/898270342.db2.gz BKQDOIBQOLZEOQ-UHFFFAOYSA-N -1 3 384.383 3.706 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccc1N(C)C ZINC000800038109 898525951 /nfs/dbraw/zinc/52/59/51/898525951.db2.gz YNVCKILTDULAFQ-UHFFFAOYSA-N -1 3 383.395 3.752 20 30 GHEDHM N#C[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CC1 ZINC000822801227 898633955 /nfs/dbraw/zinc/63/39/55/898633955.db2.gz GNHCRFZFTJIYNM-MRXNPFEDSA-N -1 3 395.806 3.771 20 30 GHEDHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824522392 899656974 /nfs/dbraw/zinc/65/69/74/899656974.db2.gz RTRVJZMRDGCJMT-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824522392 899656978 /nfs/dbraw/zinc/65/69/78/899656978.db2.gz RTRVJZMRDGCJMT-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(Cl)c1 ZINC000573837467 900651843 /nfs/dbraw/zinc/65/18/43/900651843.db2.gz RVAAFUJHWPNGHM-HNNXBMFYSA-N -1 3 385.272 3.531 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@H](C#N)c2ccccc2)CC1 ZINC001186417534 914542015 /nfs/dbraw/zinc/54/20/15/914542015.db2.gz VOIQKVXFSMRONS-MRXNPFEDSA-N -1 3 393.434 3.650 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)nc2)cc1 ZINC000845443175 902154769 /nfs/dbraw/zinc/15/47/69/902154769.db2.gz UYBDVSBOQOKQAH-QGZVFWFLSA-N -1 3 393.443 3.560 20 30 GHEDHM N#CC(C(=O)CCOCC(F)(F)C(F)(F)F)=C([O-])C1(c2ccccc2)CC1 ZINC000845846413 902415701 /nfs/dbraw/zinc/41/57/01/902415701.db2.gz TYCIDKLCSUMYAS-ZDUSSCGKSA-N -1 3 389.320 3.600 20 30 GHEDHM CC(=O)c1cccc(O[C@@H](C)C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1 ZINC000845836717 902447284 /nfs/dbraw/zinc/44/72/84/902447284.db2.gz BVHDBDXIRUXCPG-OXJNMPFZSA-N -1 3 375.424 3.666 20 30 GHEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845836717 902447292 /nfs/dbraw/zinc/44/72/92/902447292.db2.gz BVHDBDXIRUXCPG-OXJNMPFZSA-N -1 3 375.424 3.666 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1CC(F)(F)F ZINC000600799290 902933747 /nfs/dbraw/zinc/93/37/47/902933747.db2.gz ZCAHCDPQKQETCK-UHFFFAOYSA-N -1 3 391.393 3.630 20 30 GHEDHM COc1cccc(-c2noc([C@H](C)[N-]C(=O)C(F)(F)c3ccccc3C#N)n2)c1 ZINC001148588796 904129246 /nfs/dbraw/zinc/12/92/46/904129246.db2.gz KSGYGDUPCFACHW-LBPRGKRZSA-N -1 3 398.369 3.586 20 30 GHEDHM N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1[N-]c1nccnc1CN ZINC001171449586 904700150 /nfs/dbraw/zinc/70/01/50/904700150.db2.gz IRUMRXDJQCKHCP-UHFFFAOYSA-N -1 3 378.745 3.771 20 30 GHEDHM N#CC(=C([O-])c1cccc(NC(=O)c2ccco2)c1)c1cnc2ccccc2n1 ZINC000190979257 906498930 /nfs/dbraw/zinc/49/89/30/906498930.db2.gz RQXIULPEHWSEGA-INIZCTEOSA-N -1 3 382.379 3.965 20 30 GHEDHM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)c1cnc2ccccc2n1 ZINC000190976915 906499453 /nfs/dbraw/zinc/49/94/53/906499453.db2.gz WPQKPVPFEPAISU-MRXNPFEDSA-N -1 3 397.438 3.878 20 30 GHEDHM C=CCN1C(=O)C2(CCOCC2)c2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175264750 907476150 /nfs/dbraw/zinc/47/61/50/907476150.db2.gz GEJSSFVOANFBRV-UHFFFAOYSA-N -1 3 386.398 3.995 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185901498 907849718 /nfs/dbraw/zinc/84/97/18/907849718.db2.gz GXMBRPBFRDUBRR-UHFFFAOYSA-N -1 3 397.906 3.856 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000186020275 907866691 /nfs/dbraw/zinc/86/66/91/907866691.db2.gz GFVWAJDHADZMEF-UHFFFAOYSA-N -1 3 395.793 3.690 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000193403365 908334140 /nfs/dbraw/zinc/33/41/40/908334140.db2.gz CEMFYCHCDSQMIN-CQSZACIVSA-N -1 3 382.782 3.626 20 30 GHEDHM CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001180572458 910220243 /nfs/dbraw/zinc/22/02/43/910220243.db2.gz GWRUOTRYGVLVAW-UHFFFAOYSA-N -1 3 375.222 3.822 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(F)c1F ZINC001187004275 914970961 /nfs/dbraw/zinc/97/09/61/914970961.db2.gz QPWZFYCCSBZQHR-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1cc(NC(=O)c2sc(Br)nc2C(F)(F)F)ccc1[O-] ZINC001189661776 916822066 /nfs/dbraw/zinc/82/20/66/916822066.db2.gz OMCKZQTUJFOONT-UHFFFAOYSA-N -1 3 392.156 3.754 20 30 GHEDHM COc1cc(Br)c(C(=O)Nc2ccc(F)c(C#N)c2F)cc1[O-] ZINC001149062446 919352427 /nfs/dbraw/zinc/35/24/27/919352427.db2.gz WGCKJAAMYPUACA-UHFFFAOYSA-N -1 3 383.148 3.565 20 30 GHEDHM C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N([O-])Cc2ccc(F)cc2)cs1 ZINC000900678080 920508665 /nfs/dbraw/zinc/50/86/65/920508665.db2.gz GHGITBXHQRZRFH-LLVKDONJSA-N -1 3 395.456 3.900 20 30 GHEDHM O=C(CN1C(=O)CSc2ccccc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379963 921058534 /nfs/dbraw/zinc/05/85/34/921058534.db2.gz JJFRPIJRCPANQL-UHFFFAOYSA-N -1 3 397.283 3.850 20 30 GHEDHM N#Cc1ccc(NC(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])cc1Cl ZINC000748479704 923666836 /nfs/dbraw/zinc/66/68/36/923666836.db2.gz RSOGXBMXWJFBTN-UHFFFAOYSA-N -1 3 383.162 3.505 20 30 GHEDHM COC(=O)c1cc2c(o1)c(OC)ccc2/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000748997636 923978513 /nfs/dbraw/zinc/97/85/13/923978513.db2.gz GFNINCUPFWQYKN-QPJJXVBHSA-N -1 3 382.368 3.838 20 30 GHEDHM N#CCCCN1CC[C@@]2(CCCN2Cc2c(Cl)cc([O-])cc2Cl)C1=O ZINC001276164937 926403147 /nfs/dbraw/zinc/40/31/47/926403147.db2.gz LNSPLHBNLILEJU-SFHVURJKSA-N -1 3 382.291 3.570 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(Oc3ccccc3)c2)c1 ZINC000749338036 927058693 /nfs/dbraw/zinc/05/86/93/927058693.db2.gz MWDSNFXAPHFAAM-LJQANCHMSA-N -1 3 387.395 3.844 20 30 GHEDHM CC(C)c1ncc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000758364060 930022655 /nfs/dbraw/zinc/02/26/55/930022655.db2.gz GNOXKVDSFDOJGH-CQSZACIVSA-N -1 3 387.490 3.541 20 30 GHEDHM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796744100 932050467 /nfs/dbraw/zinc/05/04/67/932050467.db2.gz DAMMVSGOQJRYMW-GDBMZVCRSA-N -1 3 383.473 3.615 20 30 GHEDHM C=CCN(CC=C)C(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000798082364 932521987 /nfs/dbraw/zinc/52/19/87/932521987.db2.gz OWGQYCVDGWPURQ-UHFFFAOYSA-N -1 3 397.431 3.735 20 30 GHEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000798466963 932658283 /nfs/dbraw/zinc/65/82/83/932658283.db2.gz CHTNDUFRIXHICA-SNVBAGLBSA-N -1 3 382.707 3.744 20 30 GHEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC001121146166 934574782 /nfs/dbraw/zinc/57/47/82/934574782.db2.gz CIJKTLWMVHFSIZ-UHFFFAOYSA-N -1 3 397.835 3.614 20 30 GHEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)s1 ZINC001121146166 934574785 /nfs/dbraw/zinc/57/47/85/934574785.db2.gz CIJKTLWMVHFSIZ-UHFFFAOYSA-N -1 3 397.835 3.614 20 30 GHEDHM C=C[C@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573315630 947254969 /nfs/dbraw/zinc/25/49/69/947254969.db2.gz DAZRWIYTUKSOPM-OAHLLOKOSA-N -1 3 377.448 3.952 20 30 GHEDHM C=C[C@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573315630 947254977 /nfs/dbraw/zinc/25/49/77/947254977.db2.gz DAZRWIYTUKSOPM-OAHLLOKOSA-N -1 3 377.448 3.952 20 30 GHEDHM C=CCC1(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573330548 947434653 /nfs/dbraw/zinc/43/46/53/947434653.db2.gz YUIJOQFTPZEERK-UHFFFAOYSA-N -1 3 383.496 3.669 20 30 GHEDHM C=CCC1(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573330548 947434660 /nfs/dbraw/zinc/43/46/60/947434660.db2.gz YUIJOQFTPZEERK-UHFFFAOYSA-N -1 3 383.496 3.669 20 30 GHEDHM C=CCCCn1c([C@H](C)CC)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573334965 947466459 /nfs/dbraw/zinc/46/64/59/947466459.db2.gz KGJYPYRLHPGHHT-OAHLLOKOSA-N -1 3 380.500 3.574 20 30 GHEDHM C=CCCCn1c([C@H](C)CC)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573334965 947466470 /nfs/dbraw/zinc/46/64/70/947466470.db2.gz KGJYPYRLHPGHHT-OAHLLOKOSA-N -1 3 380.500 3.574 20 30 GHEDHM CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC001574099157 949168485 /nfs/dbraw/zinc/16/84/85/949168485.db2.gz IOGZFXHQIAGWDE-CQSZACIVSA-N -1 3 392.488 3.813 20 30 GHEDHM CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001574099157 949168494 /nfs/dbraw/zinc/16/84/94/949168494.db2.gz IOGZFXHQIAGWDE-CQSZACIVSA-N -1 3 392.488 3.813 20 30 GHEDHM CC(C)(C)OC(=O)n1nc(C(=O)Nc2ccc([O-])c(C#N)c2)c2cc(F)ccc21 ZINC001154358385 1032063097 /nfs/dbraw/zinc/06/30/97/1032063097.db2.gz OYBKHLUYGYCMEA-UHFFFAOYSA-N -1 3 396.378 3.788 20 30 GHEDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3onc4ccccc43)c(C#N)c21 ZINC001154371158 1032068131 /nfs/dbraw/zinc/06/81/31/1032068131.db2.gz FATFLYBRAWOLDM-LBPRGKRZSA-N -1 3 395.440 3.996 20 30 GHEDHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC001603609802 973877569 /nfs/dbraw/zinc/87/75/69/973877569.db2.gz NZQONQCEXIAVMW-PGRDOPGGSA-N -1 3 385.508 3.515 20 30 GHEDHM C=C(CCC(=O)[O-])C(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC001588614925 983708936 /nfs/dbraw/zinc/70/89/36/983708936.db2.gz DWYGFYULHVMKPR-OAQYLSRUSA-N -1 3 386.536 3.599 20 30 GHEDHM COc1ccc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cc1C#N ZINC001599559090 998155369 /nfs/dbraw/zinc/15/53/69/998155369.db2.gz UJBBKVWAEIWLJS-UHFFFAOYSA-N -1 3 378.350 3.672 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cc21 ZINC001155035930 1032388779 /nfs/dbraw/zinc/38/87/79/1032388779.db2.gz IMZBZIIYTXXPDN-UHFFFAOYSA-N -1 3 379.416 3.814 20 30 GHEDHM C#C[C@H](Oc1cc(OC)cc2c1C(=O)c1c([O-])cc(C)cc1C2=O)c1ccncc1 ZINC001227391835 1032400550 /nfs/dbraw/zinc/40/05/50/1032400550.db2.gz BIPNIKUFKSLNCN-IBGZPJMESA-N -1 3 399.402 3.633 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCc2ccc(C(F)(F)F)n2C)n1 ZINC001155242639 1032468571 /nfs/dbraw/zinc/46/85/71/1032468571.db2.gz IWJBKHWCDJNQEA-KPSZGOFPSA-N -1 3 379.795 3.629 20 30 GHEDHM CCOC(=O)C=Cc1cccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155909013 1032783276 /nfs/dbraw/zinc/78/32/76/1032783276.db2.gz FOBFRNPXTQPPMW-JXMROGBWSA-N -1 3 395.337 3.804 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(-c2cnn(C)c2)o1 ZINC000835063520 1021841700 /nfs/dbraw/zinc/84/17/00/1021841700.db2.gz LTIVWFLKAHNFIL-QGZVFWFLSA-N -1 3 390.443 3.766 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2c1CCCC2 ZINC000835066189 1021848361 /nfs/dbraw/zinc/84/83/61/1021848361.db2.gz UOKWXFYIRRBELB-LBPRGKRZSA-N -1 3 391.258 3.567 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCN(Cc3ccc([O-])c(F)c3F)CC2)CC1 ZINC001140889851 1022808303 /nfs/dbraw/zinc/80/83/03/1022808303.db2.gz MZQJQLWSBACNAI-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM C=CCN(C(=O)c1cc([O-])ccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001138239323 1024442656 /nfs/dbraw/zinc/44/26/56/1024442656.db2.gz XYRBWARTIPCQPB-IBGZPJMESA-N -1 3 387.863 3.848 20 30 GHEDHM COc1cc(C=NOCc2ccccc2)cc(I)c1[O-] ZINC000839420118 1025908141 /nfs/dbraw/zinc/90/81/41/1025908141.db2.gz WGBWRKOMYBWKMK-UHFFFAOYSA-N -1 3 383.185 3.556 20 30 GHEDHM COc1ccc2nc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cnc2c1 ZINC001163765509 1026308757 /nfs/dbraw/zinc/30/87/57/1026308757.db2.gz UOSHOGNARAAYDK-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM CCOC(=O)CCc1cccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765972 1026308834 /nfs/dbraw/zinc/30/88/34/1026308834.db2.gz PQXPJPZRJYLOEK-UHFFFAOYSA-N -1 3 397.353 3.724 20 30 GHEDHM COc1ccccc1[C@@H]1CCN(c2nc(SC)nc(Cl)c2/C=N/[O-])C1 ZINC001163807138 1026320613 /nfs/dbraw/zinc/32/06/13/1026320613.db2.gz SOCYAPRYEMTDRS-YXZFXQPTSA-N -1 3 378.885 3.663 20 30 GHEDHM COc1ccc(C#N)cc1NC(=O)c1cnc2ccc(C(F)(F)F)cc2c1[O-] ZINC001150476695 1030540129 /nfs/dbraw/zinc/54/01/29/1030540129.db2.gz VVRPUAULUUFSFK-UHFFFAOYSA-N -1 3 387.317 3.679 20 30 GHEDHM Cc1cccc2[nH]c(C(=O)NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc21 ZINC001151079450 1030766567 /nfs/dbraw/zinc/76/65/67/1030766567.db2.gz PGTUAODJEINKSU-UHFFFAOYSA-N -1 3 377.322 3.941 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3c[nH]c(Cl)cc-3n2)c(C)c1[O-] ZINC001151416063 1030903591 /nfs/dbraw/zinc/90/35/91/1030903591.db2.gz OLFVWXBPRVTXRC-UHFFFAOYSA-N -1 3 398.806 3.531 20 30 GHEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)[n-]1 ZINC001225468170 1031428815 /nfs/dbraw/zinc/42/88/15/1031428815.db2.gz LTMCZAYVPUPITI-GOSISDBHSA-N -1 3 381.432 3.838 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c[nH]c3nccc(Cl)c23)c(C)c1[O-] ZINC001153101457 1031461973 /nfs/dbraw/zinc/46/19/73/1031461973.db2.gz DFVVCIGFTIXZPR-UHFFFAOYSA-N -1 3 398.806 3.531 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001229337957 1033422920 /nfs/dbraw/zinc/42/29/20/1033422920.db2.gz POXGPPADNLMUHC-KRWDZBQOSA-N -1 3 378.508 3.876 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001229337957 1033422929 /nfs/dbraw/zinc/42/29/29/1033422929.db2.gz POXGPPADNLMUHC-KRWDZBQOSA-N -1 3 378.508 3.876 20 30 GHEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(OC2CCN(C)CC2)c1OC ZINC001230441047 1034058054 /nfs/dbraw/zinc/05/80/54/1034058054.db2.gz XVICRSHJXWSRNM-MDZDMXLPSA-N -1 3 397.471 3.779 20 30 GHEDHM C=CC[C@@H]1[C@H](Oc2cccc(-c3nnn[n-]3)c2)CCCN1C(=O)OC(C)(C)C ZINC001231122200 1034412234 /nfs/dbraw/zinc/41/22/34/1034412234.db2.gz RNHJMNSTQVHERW-IAGOWNOFSA-N -1 3 385.468 3.590 20 30 GHEDHM C=CC[C@@H]1[C@H](Oc2cccc(-c3nn[n-]n3)c2)CCCN1C(=O)OC(C)(C)C ZINC001231122200 1034412239 /nfs/dbraw/zinc/41/22/39/1034412239.db2.gz RNHJMNSTQVHERW-IAGOWNOFSA-N -1 3 385.468 3.590 20 30 GHEDHM CCOC(=O)n1nc2c(c1[N-]c1nc(Cl)c(Cl)cc1C#N)CNC2(C)C ZINC001159659609 1034706021 /nfs/dbraw/zinc/70/60/21/1034706021.db2.gz KETFLOQMKQHXRJ-UHFFFAOYSA-N -1 3 395.250 3.543 20 30 GHEDHM N#Cc1ccnc(N2CCN(Cc3ccccc3-c3ccccc3C(=O)[O-])CC2)c1 ZINC001231678260 1034828831 /nfs/dbraw/zinc/82/88/31/1034828831.db2.gz GHAQMEBQMWAKAE-UHFFFAOYSA-N -1 3 398.466 3.641 20 30 GHEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277550749 1034834624 /nfs/dbraw/zinc/83/46/24/1034834624.db2.gz FNQMTHKAHUESAR-LJQANCHMSA-N -1 3 393.325 3.688 20 30 GHEDHM N#Cc1cccc(N2C[C@@]3(CCN(Cc4ccc(Cl)c([O-])c4)C3)CC2=O)c1 ZINC001231738693 1034871800 /nfs/dbraw/zinc/87/18/00/1034871800.db2.gz SPQZAANGMGFJSI-NRFANRHFSA-N -1 3 381.863 3.546 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001160176537 1034890386 /nfs/dbraw/zinc/89/03/86/1034890386.db2.gz WQTGVUCQVXJYCI-XPTSAGLGSA-N -1 3 386.502 3.557 20 30 GHEDHM CCN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC001160789961 1035067457 /nfs/dbraw/zinc/06/74/57/1035067457.db2.gz UISAUDRTZANIRX-GFCCVEGCSA-N -1 3 381.382 3.901 20 30 GHEDHM Cc1ccccc1-n1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1 ZINC001161783548 1035301117 /nfs/dbraw/zinc/30/11/17/1035301117.db2.gz HYNHZZDMDHEPLE-UHFFFAOYSA-N -1 3 377.231 3.914 20 30 GHEDHM CCCCCCN([O-])C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC001161819172 1035308362 /nfs/dbraw/zinc/30/83/62/1035308362.db2.gz OEWIKBGZQCPXMJ-UHFFFAOYSA-N -1 3 396.553 3.502 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc2ncccc2c1 ZINC001248509359 1035921726 /nfs/dbraw/zinc/92/17/26/1035921726.db2.gz LVLOZAOBXOZMOO-UHFFFAOYSA-N -1 3 376.441 3.589 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cc(Br)cnc1F ZINC001243077758 1036024186 /nfs/dbraw/zinc/02/41/86/1036024186.db2.gz MUQURDUEAHPTIE-DNTJNYDQSA-N -1 3 395.232 3.838 20 30 GHEDHM COC(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)c([O-])c1 ZINC001245770789 1036992597 /nfs/dbraw/zinc/99/25/97/1036992597.db2.gz PXGDJMGAFQCZLH-UHFFFAOYSA-N -1 3 395.362 3.878 20 30 GHEDHM COC(=O)[C@H](Oc1ccc(C(C)=N[O-])cc1)c1cccc(Br)c1 ZINC001234084424 1039820860 /nfs/dbraw/zinc/82/08/60/1039820860.db2.gz ZMWDRLSTAQUVGS-MRXNPFEDSA-N -1 3 378.222 3.940 20 30 GHEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001234511521 1040089791 /nfs/dbraw/zinc/08/97/91/1040089791.db2.gz QVQQUBSAGLBMLP-ZDUSSCGKSA-N -1 3 398.463 3.621 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1F ZINC001255801943 1041309221 /nfs/dbraw/zinc/30/92/21/1041309221.db2.gz AXCAFRWSBBEQCN-UHFFFAOYSA-N -1 3 378.278 3.536 20 30 GHEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236794822 1041899455 /nfs/dbraw/zinc/89/94/55/1041899455.db2.gz VEMKYBHPMWPXLT-UHFFFAOYSA-N -1 3 385.291 3.919 20 30 GHEDHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nc(-c2ccncc2)no1 ZINC001292546980 1043782582 /nfs/dbraw/zinc/78/25/82/1043782582.db2.gz WYYLFJRKZYKWDU-MRXNPFEDSA-N -1 3 397.385 3.609 20 30 GHEDHM N#Cc1ccccc1OCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257785724 1044170140 /nfs/dbraw/zinc/17/01/40/1044170140.db2.gz PWAGYVJZXNBEGJ-UHFFFAOYSA-N -1 3 385.272 3.612 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2c(O)cc(C(F)(F)F)cc2Cl)ccc1F ZINC001259418620 1045137870 /nfs/dbraw/zinc/13/78/70/1045137870.db2.gz IELPJBVXGFFJBY-UHFFFAOYSA-N -1 3 394.733 3.876 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl ZINC001260028283 1045361953 /nfs/dbraw/zinc/36/19/53/1045361953.db2.gz IBNCDDOJXKFGNC-UHFFFAOYSA-N -1 3 375.759 3.567 20 30 GHEDHM O=S(=O)([N-]c1cc(F)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1 ZINC001260499590 1045518592 /nfs/dbraw/zinc/51/85/92/1045518592.db2.gz FBNUUILMXZBLDO-UHFFFAOYSA-N -1 3 389.248 3.942 20 30 GHEDHM O=C(c1ccc(-c2cccs2)o1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892992 1048947931 /nfs/dbraw/zinc/94/79/31/1048947931.db2.gz PVYQEOFKRSIAIA-UHFFFAOYSA-N -1 3 396.424 3.526 20 30 GHEDHM CC(C)(C)OC(=O)N1[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC[C@@H]1C1CC1 ZINC001306898656 1048950717 /nfs/dbraw/zinc/95/07/17/1048950717.db2.gz MDIPIQKRWGHLLX-IAGOWNOFSA-N -1 3 378.444 3.722 20 30 GHEDHM CCCCCCC[C@H](C)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001311642422 1052295465 /nfs/dbraw/zinc/29/54/65/1052295465.db2.gz BDMBJFDQTHRWEN-SFHVURJKSA-N -1 3 389.540 3.856 20 30 GHEDHM COc1cc(O)ccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001318210972 1054502367 /nfs/dbraw/zinc/50/23/67/1054502367.db2.gz WGSDMUYEHCGWNJ-UHFFFAOYSA-N -1 3 397.456 3.648 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001355958678 1057333675 /nfs/dbraw/zinc/33/36/75/1057333675.db2.gz RKERFCYZLRBSFT-KRWDZBQOSA-N -1 3 390.491 3.628 20 30 GHEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](c2ccccc2OC)CC1 ZINC001340500296 1059953838 /nfs/dbraw/zinc/95/38/38/1059953838.db2.gz FNNRDQGOKNSJHF-HNNXBMFYSA-N -1 3 395.463 3.607 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1c(C)cccc1C ZINC001340715709 1060072616 /nfs/dbraw/zinc/07/26/16/1060072616.db2.gz LOVXFGSRSZYHOV-SFHVURJKSA-N -1 3 390.491 3.893 20 30 GHEDHM C=CC[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001452996748 1061062191 /nfs/dbraw/zinc/06/21/91/1061062191.db2.gz BJXMZEKOBKXXAV-GFCCVEGCSA-N -1 3 375.266 3.719 20 30 GHEDHM Cn1ccnc1C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)nc1C1CC1 ZINC001342168270 1061101671 /nfs/dbraw/zinc/10/16/71/1061101671.db2.gz ZUNQVUZITWCPJI-CQSZACIVSA-N -1 3 377.835 3.898 20 30 GHEDHM Cc1c(Br)cc(F)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001342258952 1061181351 /nfs/dbraw/zinc/18/13/51/1061181351.db2.gz IFKJOWLNZBYHAZ-ZDUSSCGKSA-N -1 3 391.244 3.705 20 30 GHEDHM COC(=O)[C@]1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)C[C@H]1c1ccccc1 ZINC001346146853 1061402339 /nfs/dbraw/zinc/40/23/39/1061402339.db2.gz BCDIIIFAUHKRHH-ZRGWGRIASA-N -1 3 388.345 3.624 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001455225740 1062060157 /nfs/dbraw/zinc/06/01/57/1062060157.db2.gz NDDPRGIKXLJZPC-HNNXBMFYSA-N -1 3 384.304 3.519 20 30 GHEDHM CC1(C#N)CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2CC2CC2)CC1 ZINC001347039598 1062065661 /nfs/dbraw/zinc/06/56/61/1062065661.db2.gz BSJUKZUQPUDHFP-UHFFFAOYSA-N -1 3 399.926 3.962 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2csc(N3CCCCC3)n2)c(Cl)c([N+](=O)[O-])c1 ZINC001435634335 1062798329 /nfs/dbraw/zinc/79/83/29/1062798329.db2.gz YYIBOGYVULNJQV-UHFFFAOYSA-N -1 3 391.840 3.819 20 30 GHEDHM O=C(c1cc[nH]c(=O)c1Br)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457998483 1063496410 /nfs/dbraw/zinc/49/64/10/1063496410.db2.gz VXULOMBSQPUCKI-UHFFFAOYSA-N -1 3 392.036 3.888 20 30 GHEDHM C[C@H]1CCc2sc([N-]C(=O)c3coc4c3C(=O)NCCC4)c(C#N)c2[C@H]1C ZINC001436548927 1063522126 /nfs/dbraw/zinc/52/21/26/1063522126.db2.gz ZRHFRHJFSWICDF-QWRGUYRKSA-N -1 3 383.473 3.827 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC23CCCCC3)ccc1F ZINC001437636406 1063910533 /nfs/dbraw/zinc/91/05/33/1063910533.db2.gz XQMYDBHMRSFERK-GOSISDBHSA-N -1 3 394.512 3.523 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCSc1ccc(F)cc1F ZINC000849662009 1067930952 /nfs/dbraw/zinc/93/09/52/1067930952.db2.gz CSKIOOSOQMHFHQ-UHFFFAOYSA-N -1 3 392.427 3.822 20 30 GHEDHM N#Cc1ccc(-c2cccc(C[N-]S(=O)(=O)c3ccsc3C#N)c2)s1 ZINC001474992528 1074673141 /nfs/dbraw/zinc/67/31/41/1074673141.db2.gz VRVILKVAUWMNRQ-UHFFFAOYSA-N -1 3 385.495 3.698 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)ccc1OC ZINC000736310380 598829757 /nfs/dbraw/zinc/82/97/57/598829757.db2.gz YKKFNRCZFMRSIX-CQSZACIVSA-N -1 3 398.854 3.822 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)ccc1OC ZINC000736310380 598829759 /nfs/dbraw/zinc/82/97/59/598829759.db2.gz YKKFNRCZFMRSIX-CQSZACIVSA-N -1 3 398.854 3.822 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735408918 598838412 /nfs/dbraw/zinc/83/84/12/598838412.db2.gz VCMQEQKTXZTTIK-UHFFFAOYSA-N -1 3 395.463 3.857 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735408918 598838414 /nfs/dbraw/zinc/83/84/14/598838414.db2.gz VCMQEQKTXZTTIK-UHFFFAOYSA-N -1 3 395.463 3.857 20 30 GHEDHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1C(C)C ZINC000737278208 598915188 /nfs/dbraw/zinc/91/51/88/598915188.db2.gz GNCWCVACXLLNQR-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1C(C)C ZINC000737278208 598915189 /nfs/dbraw/zinc/91/51/89/598915189.db2.gz GNCWCVACXLLNQR-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM N#Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737703843 598915889 /nfs/dbraw/zinc/91/58/89/598915889.db2.gz FZMHJTCNICYYMU-UHFFFAOYSA-N -1 3 394.394 3.615 20 30 GHEDHM N#Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737703843 598915890 /nfs/dbraw/zinc/91/58/90/598915890.db2.gz FZMHJTCNICYYMU-UHFFFAOYSA-N -1 3 394.394 3.615 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000735446646 598924859 /nfs/dbraw/zinc/92/48/59/598924859.db2.gz CSDLJBSTILSTGN-DHZHZOJOSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000735446646 598924861 /nfs/dbraw/zinc/92/48/61/598924861.db2.gz CSDLJBSTILSTGN-DHZHZOJOSA-N -1 3 398.348 3.799 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706795 598926831 /nfs/dbraw/zinc/92/68/31/598926831.db2.gz ZTFRXKWVGBNMHB-ZIAGYGMSSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706795 598926833 /nfs/dbraw/zinc/92/68/33/598926833.db2.gz ZTFRXKWVGBNMHB-ZIAGYGMSSA-N -1 3 399.241 3.787 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2nccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737632030 598937154 /nfs/dbraw/zinc/93/71/54/598937154.db2.gz IWIJJTYHKQIINF-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2nccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737632030 598937155 /nfs/dbraw/zinc/93/71/55/598937155.db2.gz IWIJJTYHKQIINF-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM COc1cc(C#N)ccc1OCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737035579 599010335 /nfs/dbraw/zinc/01/03/35/599010335.db2.gz UIBLXIIRKWRQGZ-CYBMUJFWSA-N -1 3 381.461 3.620 20 30 GHEDHM COc1cc(C#N)ccc1OCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737035579 599010338 /nfs/dbraw/zinc/01/03/38/599010338.db2.gz UIBLXIIRKWRQGZ-CYBMUJFWSA-N -1 3 381.461 3.620 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000735419941 599147280 /nfs/dbraw/zinc/14/72/80/599147280.db2.gz KUWIFJFZNXVCEA-DLBZAZTESA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000735419941 599147282 /nfs/dbraw/zinc/14/72/82/599147282.db2.gz KUWIFJFZNXVCEA-DLBZAZTESA-N -1 3 382.512 3.781 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(SC)c(OC)c2)cc1-c1nnn[n-]1 ZINC000737035882 599154095 /nfs/dbraw/zinc/15/40/95/599154095.db2.gz XQMBMIJVRJALGF-DAXSKMNVSA-N -1 3 382.445 3.502 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(SC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000737035882 599154097 /nfs/dbraw/zinc/15/40/97/599154097.db2.gz XQMBMIJVRJALGF-DAXSKMNVSA-N -1 3 382.445 3.502 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737119801 599155710 /nfs/dbraw/zinc/15/57/10/599155710.db2.gz GRXAIWPSGOSMLR-QPJJXVBHSA-N -1 3 390.399 3.835 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737119801 599155712 /nfs/dbraw/zinc/15/57/12/599155712.db2.gz GRXAIWPSGOSMLR-QPJJXVBHSA-N -1 3 390.399 3.835 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(-c3ccncc3)c2)cc1-c1nnn[n-]1 ZINC000737081227 599156979 /nfs/dbraw/zinc/15/69/79/599156979.db2.gz LTBNVOYVEWWXET-FNORWQNLSA-N -1 3 383.411 3.833 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(-c3ccncc3)c2)cc1-c1nn[n-]n1 ZINC000737081227 599156981 /nfs/dbraw/zinc/15/69/81/599156981.db2.gz LTBNVOYVEWWXET-FNORWQNLSA-N -1 3 383.411 3.833 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716194 599195572 /nfs/dbraw/zinc/19/55/72/599195572.db2.gz MBJJKWAAEWJDCB-HOCLYGCPSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716194 599195574 /nfs/dbraw/zinc/19/55/74/599195574.db2.gz MBJJKWAAEWJDCB-HOCLYGCPSA-N -1 3 399.241 3.787 20 30 GHEDHM N#CCCCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737688340 599195782 /nfs/dbraw/zinc/19/57/82/599195782.db2.gz RNCUZGIJQZGCLP-UHFFFAOYSA-N -1 3 396.838 3.736 20 30 GHEDHM N#CCCCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737688340 599195783 /nfs/dbraw/zinc/19/57/83/599195783.db2.gz RNCUZGIJQZGCLP-UHFFFAOYSA-N -1 3 396.838 3.736 20 30 GHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735409726 599217782 /nfs/dbraw/zinc/21/77/82/599217782.db2.gz JMIPBTJAWWWZLB-CYBMUJFWSA-N -1 3 396.426 3.671 20 30 GHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735409726 599217786 /nfs/dbraw/zinc/21/77/86/599217786.db2.gz JMIPBTJAWWWZLB-CYBMUJFWSA-N -1 3 396.426 3.671 20 30 GHEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(F)(F)F)ccc1C#N ZINC000821109584 607305268 /nfs/dbraw/zinc/30/52/68/607305268.db2.gz MLFOFYLXRFKPQW-UHFFFAOYSA-N -1 3 387.369 3.569 20 30 GHEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(F)(F)F)ccc1C#N ZINC000821109584 607305269 /nfs/dbraw/zinc/30/52/69/607305269.db2.gz MLFOFYLXRFKPQW-UHFFFAOYSA-N -1 3 387.369 3.569 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(C)ccc1O ZINC000735451034 598313724 /nfs/dbraw/zinc/31/37/24/598313724.db2.gz NAVJBIKALLNPJA-UHFFFAOYSA-N -1 3 376.342 3.736 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(C)ccc1O ZINC000735451034 598313725 /nfs/dbraw/zinc/31/37/25/598313725.db2.gz NAVJBIKALLNPJA-UHFFFAOYSA-N -1 3 376.342 3.736 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nc(C)sc1C ZINC000735451166 598315442 /nfs/dbraw/zinc/31/54/42/598315442.db2.gz QXSVNBCQWXYDGY-UHFFFAOYSA-N -1 3 381.387 3.795 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nc(C)sc1C ZINC000735451166 598315444 /nfs/dbraw/zinc/31/54/44/598315444.db2.gz QXSVNBCQWXYDGY-UHFFFAOYSA-N -1 3 381.387 3.795 20 30 GHEDHM N#Cc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737722279 598555473 /nfs/dbraw/zinc/55/54/73/598555473.db2.gz GZEWWPWJWMSEGN-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737722279 598555475 /nfs/dbraw/zinc/55/54/75/598555475.db2.gz GZEWWPWJWMSEGN-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CC(C)(C)O3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204303 598640967 /nfs/dbraw/zinc/64/09/67/598640967.db2.gz ZBGRMLOWIGNDSR-VURMDHGXSA-N -1 3 389.459 3.532 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CC(C)(C)O3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204303 598640969 /nfs/dbraw/zinc/64/09/69/598640969.db2.gz ZBGRMLOWIGNDSR-VURMDHGXSA-N -1 3 389.459 3.532 20 30 GHEDHM CC(C)CN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819454 598651695 /nfs/dbraw/zinc/65/16/95/598651695.db2.gz VWFQEWSCCXWBBQ-UHFFFAOYSA-N -1 3 392.488 3.520 20 30 GHEDHM CC(C)CN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819454 598651697 /nfs/dbraw/zinc/65/16/97/598651697.db2.gz VWFQEWSCCXWBBQ-UHFFFAOYSA-N -1 3 392.488 3.520 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000735420776 598726969 /nfs/dbraw/zinc/72/69/69/598726969.db2.gz UCPNRGIOCBYGEH-OALUTQOASA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000735420776 598726971 /nfs/dbraw/zinc/72/69/71/598726971.db2.gz UCPNRGIOCBYGEH-OALUTQOASA-N -1 3 382.512 3.779 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735977664 599329948 /nfs/dbraw/zinc/32/99/48/599329948.db2.gz WLLWUHOKYRTDPF-AWEZNQCLSA-N -1 3 380.477 3.752 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735977664 599329950 /nfs/dbraw/zinc/32/99/50/599329950.db2.gz WLLWUHOKYRTDPF-AWEZNQCLSA-N -1 3 380.477 3.752 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)CSc2ccccc2-c2nnn[n-]2)c1C ZINC000822309158 599347948 /nfs/dbraw/zinc/34/79/48/599347948.db2.gz OBOTVSCRCFMLPI-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)CSc2ccccc2-c2nn[n-]n2)c1C ZINC000822309158 599347951 /nfs/dbraw/zinc/34/79/51/599347951.db2.gz OBOTVSCRCFMLPI-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064923 601237085 /nfs/dbraw/zinc/23/70/85/601237085.db2.gz YFTCXJNYJXPBBW-BHDSKKPTSA-N -1 3 383.231 3.532 20 30 GHEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000833074288 601312884 /nfs/dbraw/zinc/31/28/84/601312884.db2.gz UGDNWGRPYJQWFN-LJQANCHMSA-N -1 3 382.847 3.932 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000832935540 601870317 /nfs/dbraw/zinc/87/03/17/601870317.db2.gz NEEAPHVVBCFIQL-PGRDOPGGSA-N -1 3 393.487 3.602 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833063632 604882104 /nfs/dbraw/zinc/88/21/04/604882104.db2.gz KMQAJKMDTGKOBU-NSHDSACASA-N -1 3 395.173 3.792 20 30 GHEDHM N#CC1(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCCC1 ZINC000822801391 606257151 /nfs/dbraw/zinc/25/71/51/606257151.db2.gz IIVNBMTYWPHVBT-UHFFFAOYSA-N -1 3 390.472 3.584 20 30 GHEDHM N#CC1(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCCC1 ZINC000822801391 606257152 /nfs/dbraw/zinc/25/71/52/606257152.db2.gz IIVNBMTYWPHVBT-UHFFFAOYSA-N -1 3 390.472 3.584 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)c(Br)c1 ZINC000822923355 606304422 /nfs/dbraw/zinc/30/44/22/606304422.db2.gz QLKGOPABIBOWJW-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)c(Br)c1 ZINC000822923355 606304424 /nfs/dbraw/zinc/30/44/24/606304424.db2.gz QLKGOPABIBOWJW-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000822923339 606306392 /nfs/dbraw/zinc/30/63/92/606306392.db2.gz PZXNGURYXJJKIJ-WAYWQWQTSA-N -1 3 380.351 3.765 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000822923339 606306394 /nfs/dbraw/zinc/30/63/94/606306394.db2.gz PZXNGURYXJJKIJ-WAYWQWQTSA-N -1 3 380.351 3.765 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823505140 606390128 /nfs/dbraw/zinc/39/01/28/606390128.db2.gz XVCNIZYAARGHIW-FECSTBLZSA-N -1 3 379.401 3.666 20 30 GHEDHM Cc1cc2cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)oc2cc1C ZINC000822212964 606429266 /nfs/dbraw/zinc/42/92/66/606429266.db2.gz ORFWXUVOCNVGQW-PLNGDYQASA-N -1 3 384.399 3.774 20 30 GHEDHM Cc1cc2cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)oc2cc1C ZINC000822212964 606429268 /nfs/dbraw/zinc/42/92/68/606429268.db2.gz ORFWXUVOCNVGQW-PLNGDYQASA-N -1 3 384.399 3.774 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)c1 ZINC000822837187 606515689 /nfs/dbraw/zinc/51/56/89/606515689.db2.gz IUDAEYXPCXNGBG-UHFFFAOYSA-N -1 3 392.488 3.640 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)c1 ZINC000822837187 606515691 /nfs/dbraw/zinc/51/56/91/606515691.db2.gz IUDAEYXPCXNGBG-UHFFFAOYSA-N -1 3 392.488 3.640 20 30 GHEDHM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC000819765016 607004362 /nfs/dbraw/zinc/00/43/62/607004362.db2.gz MGONWJMRXPBLKN-UHFFFAOYSA-N -1 3 393.451 3.743 20 30 GHEDHM C=CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC000819765016 607004363 /nfs/dbraw/zinc/00/43/63/607004363.db2.gz MGONWJMRXPBLKN-UHFFFAOYSA-N -1 3 393.451 3.743 20 30 GHEDHM CCc1noc(C)c1C(C)=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821554828 607251776 /nfs/dbraw/zinc/25/17/76/607251776.db2.gz STJYWQMUWQYWRF-UHFFFAOYSA-N -1 3 379.346 3.580 20 30 GHEDHM CCc1noc(C)c1C(C)=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821554828 607251777 /nfs/dbraw/zinc/25/17/77/607251777.db2.gz STJYWQMUWQYWRF-UHFFFAOYSA-N -1 3 379.346 3.580 20 30 GHEDHM C#CC[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823837847 607930542 /nfs/dbraw/zinc/93/05/42/607930542.db2.gz HESYDWYATSGYNY-MRXNPFEDSA-N -1 3 382.880 3.571 20 30 GHEDHM C#CC[C@@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823837847 607930543 /nfs/dbraw/zinc/93/05/43/607930543.db2.gz HESYDWYATSGYNY-MRXNPFEDSA-N -1 3 382.880 3.571 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000826382180 607982221 /nfs/dbraw/zinc/98/22/21/607982221.db2.gz RNDRWPBSRHVWFN-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826382180 607982222 /nfs/dbraw/zinc/98/22/22/607982222.db2.gz RNDRWPBSRHVWFN-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Cc2c1c(Br)ccc2F ZINC000826475567 607983102 /nfs/dbraw/zinc/98/31/02/607983102.db2.gz KDCRBRUNVBUQAR-ALCCZGGFSA-N -1 3 391.225 3.652 20 30 GHEDHM C=C[C@@H](CC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823882917 608000522 /nfs/dbraw/zinc/00/05/22/608000522.db2.gz GDVUNPKKEDWRCK-LBPRGKRZSA-N -1 3 384.823 3.794 20 30 GHEDHM C=C[C@@H](CC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823882917 608000523 /nfs/dbraw/zinc/00/05/23/608000523.db2.gz GDVUNPKKEDWRCK-LBPRGKRZSA-N -1 3 384.823 3.794 20 30 GHEDHM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(Cl)c1 ZINC000826230230 608229158 /nfs/dbraw/zinc/22/91/58/608229158.db2.gz KKGHARSSTHKCQL-UTCJRWHESA-N -1 3 396.863 3.786 20 30 GHEDHM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(Cl)c1 ZINC000826230230 608229160 /nfs/dbraw/zinc/22/91/60/608229160.db2.gz KKGHARSSTHKCQL-UTCJRWHESA-N -1 3 396.863 3.786 20 30 GHEDHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824928152 608307527 /nfs/dbraw/zinc/30/75/27/608307527.db2.gz RMERPTVPMXSKPI-CRAIPNDOSA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824928152 608307529 /nfs/dbraw/zinc/30/75/29/608307529.db2.gz RMERPTVPMXSKPI-CRAIPNDOSA-N -1 3 396.495 3.833 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C(F)(F)F)cc1 ZINC000823953759 608536589 /nfs/dbraw/zinc/53/65/89/608536589.db2.gz OUOMINMADHVASW-UHFFFAOYSA-N -1 3 381.749 3.770 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C(F)(F)F)cc1 ZINC000823953759 608536590 /nfs/dbraw/zinc/53/65/90/608536590.db2.gz OUOMINMADHVASW-UHFFFAOYSA-N -1 3 381.749 3.770 20 30 GHEDHM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962305 609157730 /nfs/dbraw/zinc/15/77/30/609157730.db2.gz JDNGBMKGMWXEDW-UHFFFAOYSA-N -1 3 399.739 3.909 20 30 GHEDHM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962305 609157731 /nfs/dbraw/zinc/15/77/31/609157731.db2.gz JDNGBMKGMWXEDW-UHFFFAOYSA-N -1 3 399.739 3.909 20 30 GHEDHM CC1(C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@@H]1OCc1ccccc1 ZINC000824783385 609160870 /nfs/dbraw/zinc/16/08/70/609160870.db2.gz GCICXIQBLSVQLP-HNNXBMFYSA-N -1 3 397.870 3.698 20 30 GHEDHM CC1(C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@@H]1OCc1ccccc1 ZINC000824783385 609160871 /nfs/dbraw/zinc/16/08/71/609160871.db2.gz GCICXIQBLSVQLP-HNNXBMFYSA-N -1 3 397.870 3.698 20 30 GHEDHM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403514 609271377 /nfs/dbraw/zinc/27/13/77/609271377.db2.gz UOSOFLUOEZDRPG-SOFGYWHQSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403514 609271378 /nfs/dbraw/zinc/27/13/78/609271378.db2.gz UOSOFLUOEZDRPG-SOFGYWHQSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401458 609274613 /nfs/dbraw/zinc/27/46/13/609274613.db2.gz ZMKIJPNJELAILN-IZZDOVSWSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401458 609274615 /nfs/dbraw/zinc/27/46/15/609274615.db2.gz ZMKIJPNJELAILN-IZZDOVSWSA-N -1 3 377.423 3.892 20 30 GHEDHM CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000825379178 609298116 /nfs/dbraw/zinc/29/81/16/609298116.db2.gz BIVIBIGHLFTNAQ-GFCCVEGCSA-N -1 3 380.839 3.615 20 30 GHEDHM CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000825379178 609298117 /nfs/dbraw/zinc/29/81/17/609298117.db2.gz BIVIBIGHLFTNAQ-GFCCVEGCSA-N -1 3 380.839 3.615 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826281415 609308084 /nfs/dbraw/zinc/30/80/84/609308084.db2.gz QHCVNPBAMDMYHG-ZHACJKMWSA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826281415 609308086 /nfs/dbraw/zinc/30/80/86/609308086.db2.gz QHCVNPBAMDMYHG-ZHACJKMWSA-N -1 3 384.443 3.780 20 30 GHEDHM CC1(C)CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824796877 609400719 /nfs/dbraw/zinc/40/07/19/609400719.db2.gz TYCVXWGCJWQQNR-CABCVRRESA-N -1 3 392.488 3.993 20 30 GHEDHM CC1(C)CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824796877 609400720 /nfs/dbraw/zinc/40/07/20/609400720.db2.gz TYCVXWGCJWQQNR-CABCVRRESA-N -1 3 392.488 3.993 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000823958486 609470278 /nfs/dbraw/zinc/47/02/78/609470278.db2.gz OUINRQSPYNNVLH-UHFFFAOYSA-N -1 3 378.827 3.542 20 30 GHEDHM Cc1c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)sc2nc(C)nc(C)c12 ZINC000826324635 609471654 /nfs/dbraw/zinc/47/16/54/609471654.db2.gz YUVXJYVITUARRK-UHFFFAOYSA-N -1 3 398.883 3.896 20 30 GHEDHM Cc1c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)sc2nc(C)nc(C)c12 ZINC000826324635 609471656 /nfs/dbraw/zinc/47/16/56/609471656.db2.gz YUVXJYVITUARRK-UHFFFAOYSA-N -1 3 398.883 3.896 20 30 GHEDHM N#CCCn1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC000826382120 609472243 /nfs/dbraw/zinc/47/22/43/609472243.db2.gz PCIXRHBCTXXZLC-UHFFFAOYSA-N -1 3 390.838 3.834 20 30 GHEDHM N#CCCn1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC000826382120 609472245 /nfs/dbraw/zinc/47/22/45/609472245.db2.gz PCIXRHBCTXXZLC-UHFFFAOYSA-N -1 3 390.838 3.834 20 30 GHEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Sc2ccccc2C#N)cc1 ZINC000414386501 837571655 /nfs/dbraw/zinc/57/16/55/837571655.db2.gz UQJLNFNDXGSKCC-UHFFFAOYSA-N -1 3 376.503 3.876 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCCCC1 ZINC000584145683 835690982 /nfs/dbraw/zinc/69/09/82/835690982.db2.gz LJGXBQXUFYMPPU-LBPRGKRZSA-N -1 3 391.718 3.853 20 30 GHEDHM N#CCc1ccc(OCc2cccc(NC([O-])=NO[C@H]3CCCCO3)c2)cc1 ZINC000274893645 835778538 /nfs/dbraw/zinc/77/85/38/835778538.db2.gz JWEOCKVKTXAODU-FQEVSTJZSA-N -1 3 381.432 3.911 20 30 GHEDHM N#CCc1ccc(OCc2cccc(NC(=O)[N-]O[C@H]3CCCCO3)c2)cc1 ZINC000274893645 835778555 /nfs/dbraw/zinc/77/85/55/835778555.db2.gz JWEOCKVKTXAODU-FQEVSTJZSA-N -1 3 381.432 3.911 20 30 GHEDHM N#C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCc2ccccc2C1 ZINC000588944723 835922484 /nfs/dbraw/zinc/92/24/84/835922484.db2.gz IAQMOIDGFQCOTA-QGZVFWFLSA-N -1 3 381.284 3.723 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCOCC1 ZINC000657129341 844153384 /nfs/dbraw/zinc/15/33/84/844153384.db2.gz KVPRICHHSAZLHM-UHFFFAOYSA-N -1 3 394.718 3.506 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(F)cc1Br ZINC000319044435 836494325 /nfs/dbraw/zinc/49/43/25/836494325.db2.gz DIILIPOOHQHXJB-UHFFFAOYSA-N -1 3 383.242 3.878 20 30 GHEDHM CCc1ccc(C2=CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)cc1 ZINC000180072892 837067786 /nfs/dbraw/zinc/06/77/86/837067786.db2.gz PZKLBWYTNXGIAT-UHFFFAOYSA-N -1 3 389.499 3.674 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCN(c2ncccc2Cl)C1 ZINC000255215306 839815038 /nfs/dbraw/zinc/81/50/38/839815038.db2.gz IWQDYINLNGCTQR-CCSWUNFSSA-N -1 3 380.673 3.901 20 30 GHEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCCN1Cc1ccccc1 ZINC000255218535 840061929 /nfs/dbraw/zinc/06/19/29/840061929.db2.gz NNQJKFKKBWYVNT-CTPANLQCSA-N -1 3 387.277 3.765 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cccc3)c(F)c2)n1 ZINC000511748703 840625680 /nfs/dbraw/zinc/62/56/80/840625680.db2.gz SGXYXMPWWMVCMH-ZDUSSCGKSA-N -1 3 383.404 3.740 20 30 GHEDHM Cc1ccc(C[C@H]2CCCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 ZINC000050768786 840773966 /nfs/dbraw/zinc/77/39/66/840773966.db2.gz UZBKXRPEVLFMIM-HXUWFJFHSA-N -1 3 391.515 3.586 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000045489369 841695313 /nfs/dbraw/zinc/69/53/13/841695313.db2.gz KNZADEFJVWUHCG-UHFFFAOYSA-N -1 3 385.895 3.887 20 30 GHEDHM Cc1cc(C)n2nc(C(=O)[N-]c3sc4c(c3C#N)CCCCCC4)nc2n1 ZINC000097016838 841698056 /nfs/dbraw/zinc/69/80/56/841698056.db2.gz NVMTYLIYRKKRBJ-UHFFFAOYSA-N -1 3 380.477 3.586 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(N3CCCNC3=O)c2)s1 ZINC000430613465 841709064 /nfs/dbraw/zinc/70/90/64/841709064.db2.gz VQYXXUDPISGUGU-HNNXBMFYSA-N -1 3 382.489 3.850 20 30 GHEDHM Cc1cc(Br)cc2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)oc21 ZINC000123468309 841776171 /nfs/dbraw/zinc/77/61/71/841776171.db2.gz VXXIDTKIISWYQQ-CYBMUJFWSA-N -1 3 398.216 3.860 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000657037095 842663518 /nfs/dbraw/zinc/66/35/18/842663518.db2.gz UQXOEEHIJUIGGM-WFASDCNBSA-N -1 3 388.892 3.851 20 30 GHEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc(C(F)(F)F)c1 ZINC000473166110 842899098 /nfs/dbraw/zinc/89/90/98/842899098.db2.gz JRGGHCXFLNDSBE-OAHLLOKOSA-N -1 3 376.338 3.561 20 30 GHEDHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C#N)cc3C)n2)cc1 ZINC000471878801 843190397 /nfs/dbraw/zinc/19/03/97/843190397.db2.gz VROXHZCFQHCUAW-AWEZNQCLSA-N -1 3 396.472 3.519 20 30 GHEDHM Cc1ccc(N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CCCCC2)nc1 ZINC000108204066 843946373 /nfs/dbraw/zinc/94/63/73/843946373.db2.gz TYDGYDJFEXXEJR-UHFFFAOYSA-N -1 3 392.503 3.865 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1Cl ZINC000135506386 846502174 /nfs/dbraw/zinc/50/21/74/846502174.db2.gz KYEYNGVBFUNRPZ-UHFFFAOYSA-N -1 3 382.779 3.826 20 30 GHEDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1)OC ZINC000421158897 847793876 /nfs/dbraw/zinc/79/38/76/847793876.db2.gz SOEUBSASIWKQBH-OAHLLOKOSA-N -1 3 378.425 3.656 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)cc1 ZINC000158724755 848018572 /nfs/dbraw/zinc/01/85/72/848018572.db2.gz JPZTWWRSDPERQM-SFHVURJKSA-N -1 3 381.480 3.628 20 30 GHEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(-c3ccc4c(c3)CCO4)no1)CCCC2 ZINC000121885938 848238925 /nfs/dbraw/zinc/23/89/25/848238925.db2.gz JIMBRBNNMMWZOK-UHFFFAOYSA-N -1 3 386.411 3.674 20 30 GHEDHM C=CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000135657764 848299837 /nfs/dbraw/zinc/29/98/37/848299837.db2.gz CYGQSIRNYHSTPO-UHFFFAOYSA-N -1 3 390.480 3.973 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2)cc1 ZINC000518971279 850425684 /nfs/dbraw/zinc/42/56/84/850425684.db2.gz AHXJGRCMOKGCMH-UHFFFAOYSA-N -1 3 387.321 3.934 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2)cc1 ZINC000518971279 850425693 /nfs/dbraw/zinc/42/56/93/850425693.db2.gz AHXJGRCMOKGCMH-UHFFFAOYSA-N -1 3 387.321 3.934 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccc3Cl)no2)ccc1F ZINC000504996829 850501530 /nfs/dbraw/zinc/50/15/30/850501530.db2.gz UAXRLVCQXIEJJP-UHFFFAOYSA-N -1 3 393.827 3.660 20 30 GHEDHM C[C@@H]([N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1noc(C(F)(F)F)n1 ZINC000910751982 851366244 /nfs/dbraw/zinc/36/62/44/851366244.db2.gz DWVUPHCPOWUSSN-MUWHJKNJSA-N -1 3 385.239 3.995 20 30 GHEDHM N#Cc1ccc(CSCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1 ZINC000604522048 862243931 /nfs/dbraw/zinc/24/39/31/862243931.db2.gz MIZCSRDYAWEZCT-UHFFFAOYSA-N -1 3 382.876 3.896 20 30 GHEDHM C=C[C@@H]1CCCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436821494 852390767 /nfs/dbraw/zinc/39/07/67/852390767.db2.gz KWXBSZJWXXYXNY-TZIWHRDSSA-N -1 3 378.472 3.821 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)c2ccccc21 ZINC000520279362 854022427 /nfs/dbraw/zinc/02/24/27/854022427.db2.gz YRRKFZGUXXBNSJ-GFCCVEGCSA-N -1 3 399.403 3.798 20 30 GHEDHM N#Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cnc1C(F)(F)F ZINC000504893370 855562505 /nfs/dbraw/zinc/56/25/05/855562505.db2.gz DUSOFONDOFWTHW-UHFFFAOYSA-N -1 3 391.227 3.829 20 30 GHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000060951282 855705393 /nfs/dbraw/zinc/70/53/93/855705393.db2.gz CYUQKOAVKHLZMP-UHFFFAOYSA-N -1 3 389.908 3.726 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3nccc3C(F)(F)F)cc2)c1 ZINC000057122242 855787822 /nfs/dbraw/zinc/78/78/22/855787822.db2.gz PUVRIECILOCQPR-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C2CC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000573178942 855914302 /nfs/dbraw/zinc/91/43/02/855914302.db2.gz WUHHMAMKKWIZEH-OAHLLOKOSA-N -1 3 394.374 3.527 20 30 GHEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])OCc1ccccc1Cl ZINC000733205059 862778319 /nfs/dbraw/zinc/77/83/19/862778319.db2.gz IZTLSSZFUNGAJE-UFWORHAWSA-N -1 3 382.641 3.970 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(OC)c1OC ZINC000592973924 857144146 /nfs/dbraw/zinc/14/41/46/857144146.db2.gz LFMNBCIXEIVPFR-GFCCVEGCSA-N -1 3 386.404 3.951 20 30 GHEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c(Br)c1O ZINC000761010586 857243962 /nfs/dbraw/zinc/24/39/62/857243962.db2.gz JYBKFPUCXQSQIF-ZZXKWVIFSA-N -1 3 379.206 3.774 20 30 GHEDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000593947753 857826310 /nfs/dbraw/zinc/82/63/10/857826310.db2.gz NHHCDWQTQIRJLJ-SFHVURJKSA-N -1 3 382.460 3.811 20 30 GHEDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000121040724 858072936 /nfs/dbraw/zinc/07/29/36/858072936.db2.gz GMDCZJSNTOGMMG-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM N#Cc1cnccc1[N-]C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000521604902 858150808 /nfs/dbraw/zinc/15/08/08/858150808.db2.gz RRQBBWPCQHQCMR-UHFFFAOYSA-N -1 3 390.403 3.654 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000114673889 858159286 /nfs/dbraw/zinc/15/92/86/858159286.db2.gz UETLZMLHSSFMLE-UHFFFAOYSA-N -1 3 387.530 3.529 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594814644 858285362 /nfs/dbraw/zinc/28/53/62/858285362.db2.gz WZXROGOSBGMWRY-UHFFFAOYSA-N -1 3 399.335 3.904 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1ccc(C(C)C)cc1 ZINC000116657205 859082783 /nfs/dbraw/zinc/08/27/83/859082783.db2.gz DIUIOAJWDMCKCI-UHFFFAOYSA-N -1 3 379.504 3.668 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138692082 859366861 /nfs/dbraw/zinc/36/68/61/859366861.db2.gz BKPSOUDTBWKGJG-ZDUSSCGKSA-N -1 3 382.782 3.626 20 30 GHEDHM CC(C)(C)n1cc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000727058286 859910916 /nfs/dbraw/zinc/91/09/16/859910916.db2.gz KBDYJHMCWPUQCI-UHFFFAOYSA-N -1 3 397.504 3.885 20 30 GHEDHM Cc1cccc(N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CCOCC2)c1 ZINC000602402692 859999967 /nfs/dbraw/zinc/99/99/67/859999967.db2.gz YVSKVFKZVXPXPL-UHFFFAOYSA-N -1 3 393.487 3.729 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC000598578444 860424320 /nfs/dbraw/zinc/42/43/20/860424320.db2.gz QOFCJXYUKKOETP-HSZRJFAPSA-N -1 3 377.488 3.692 20 30 GHEDHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21 ZINC000593586544 860461132 /nfs/dbraw/zinc/46/11/32/860461132.db2.gz QVAALLPCERUIIK-CYBMUJFWSA-N -1 3 397.319 3.657 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)N=Nc3ccc(C)nn3)cc2)cc1 ZINC000729936365 860467578 /nfs/dbraw/zinc/46/75/78/860467578.db2.gz RBSCGKVMVFLJIY-UHFFFAOYSA-N -1 3 395.488 3.730 20 30 GHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000494344028 881566547 /nfs/dbraw/zinc/56/65/47/881566547.db2.gz BNAMYWICJAAKBK-ZDUSSCGKSA-N -1 3 379.707 3.709 20 30 GHEDHM N#Cc1cc(Cl)ccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000186337404 864862075 /nfs/dbraw/zinc/86/20/75/864862075.db2.gz OLQCMMRAQCCECA-UHFFFAOYSA-N -1 3 393.859 3.926 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1-c1nnn[n-]1 ZINC000737703343 865427947 /nfs/dbraw/zinc/42/79/47/865427947.db2.gz BFDCLRNSSXNUEF-GJZGRUSLSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1-c1nn[n-]n1 ZINC000737703343 865427952 /nfs/dbraw/zinc/42/79/52/865427952.db2.gz BFDCLRNSSXNUEF-GJZGRUSLSA-N -1 3 399.241 3.787 20 30 GHEDHM C/C(=N\C#N)N(C)Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168527162 865460286 /nfs/dbraw/zinc/46/02/86/865460286.db2.gz DTROKTONDSKDEJ-LGJNPRDNSA-N -1 3 394.866 3.932 20 30 GHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000620305685 866665831 /nfs/dbraw/zinc/66/58/31/866665831.db2.gz QJPDWIGVICGSDN-VWPQPMDRSA-N -1 3 390.483 3.963 20 30 GHEDHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1 ZINC000479306136 867512333 /nfs/dbraw/zinc/51/23/33/867512333.db2.gz BAQLMZNATWMRPG-UHFFFAOYSA-N -1 3 378.453 3.681 20 30 GHEDHM O=C1C[C@H](/N=C/c2cc(Br)ccc2[O-])CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000743045200 867779125 /nfs/dbraw/zinc/77/91/25/867779125.db2.gz ZFBSMVSWFUYYBC-LMEIKPJCSA-N -1 3 399.288 3.731 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1-c1ccccn1 ZINC000535117099 868198733 /nfs/dbraw/zinc/19/87/33/868198733.db2.gz PKYGADOWVAZFKU-MRXNPFEDSA-N -1 3 383.411 3.827 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1sc(C(C)(C)C)nc1C ZINC000743449438 868198970 /nfs/dbraw/zinc/19/89/70/868198970.db2.gz WTZNXMCUNYIHDJ-UHFFFAOYSA-N -1 3 379.551 3.635 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(CNC(=O)OC(C)(C)C)o3)nc21 ZINC000744162318 868618801 /nfs/dbraw/zinc/61/88/01/868618801.db2.gz YXPRCFQJPUDWNE-AWEZNQCLSA-N -1 3 394.431 3.979 20 30 GHEDHM Cc1cc(C=NN2CC(=O)[N-]C2=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000744810463 869079212 /nfs/dbraw/zinc/07/92/12/869079212.db2.gz PXBSMSTYYKNGSR-UHFFFAOYSA-N -1 3 398.772 3.652 20 30 GHEDHM Cc1ccc(CS(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000446767030 870320487 /nfs/dbraw/zinc/32/04/87/870320487.db2.gz UGYGGCKMXVWOLF-MRXNPFEDSA-N -1 3 386.370 3.837 20 30 GHEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)C2CC2)cn1 ZINC001193281795 871001929 /nfs/dbraw/zinc/00/19/29/871001929.db2.gz FAGRQQKCNAKKKS-GOSISDBHSA-N -1 3 399.497 3.606 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c1 ZINC001193680711 871232577 /nfs/dbraw/zinc/23/25/77/871232577.db2.gz BJDMVGILBRBYAH-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM COC(=O)c1cc([N+](=O)[O-])c([N-][C@](C)(C#N)c2ccccc2Cl)cc1OC ZINC001169388052 871460900 /nfs/dbraw/zinc/46/09/00/871460900.db2.gz BTVQJHZHERCGEO-GOSISDBHSA-N -1 3 389.795 3.894 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2ncco2)c1C ZINC000552234046 872280002 /nfs/dbraw/zinc/28/00/02/872280002.db2.gz YFXVJUOLAVIPAM-UHFFFAOYSA-N -1 3 376.416 3.810 20 30 GHEDHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c2ccccc21 ZINC000447935551 872572254 /nfs/dbraw/zinc/57/22/54/872572254.db2.gz HWLFCCOKMADXMO-NVXWUHKLSA-N -1 3 385.445 3.629 20 30 GHEDHM COC(=O)c1cc(F)cc([N-]C(=O)c2c(C)oc(-n3cccc3)c2C#N)c1F ZINC000794237104 882643443 /nfs/dbraw/zinc/64/34/43/882643443.db2.gz FBJPYKFDWKCBNI-UHFFFAOYSA-N -1 3 385.326 3.568 20 30 GHEDHM Fc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC000767754313 872810203 /nfs/dbraw/zinc/81/02/03/872810203.db2.gz DZHPXLKSLTXREI-OAHLLOKOSA-N -1 3 390.827 3.754 20 30 GHEDHM CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000768120425 873076868 /nfs/dbraw/zinc/07/68/68/873076868.db2.gz KOEHIRGEZKNUNV-UHFFFAOYSA-N -1 3 388.471 3.624 20 30 GHEDHM CC(C)Oc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000921255857 882755878 /nfs/dbraw/zinc/75/58/78/882755878.db2.gz BMNCFJYWTAUEEU-GOSISDBHSA-N -1 3 396.472 3.749 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)NC2CCCCCC2)c(C)c1[O-] ZINC001199969353 875259687 /nfs/dbraw/zinc/25/96/87/875259687.db2.gz OHDZNZDRABMBKF-UHFFFAOYSA-N -1 3 375.494 3.758 20 30 GHEDHM COc1cc(C/N=C/c2cc(Br)ccc2[O-])cc(OC)c1OC ZINC000005402733 875377996 /nfs/dbraw/zinc/37/79/96/875377996.db2.gz WDMUFPJURHYWQT-VXLYETTFSA-N -1 3 380.238 3.800 20 30 GHEDHM CN(Cc1ccc(C#N)cc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192626482 882941124 /nfs/dbraw/zinc/94/11/24/882941124.db2.gz BNKXABOMIKSJDF-UHFFFAOYSA-N -1 3 376.441 3.748 20 30 GHEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000771956669 875574918 /nfs/dbraw/zinc/57/49/18/875574918.db2.gz XRHGFUOEBJPRIN-MRVPVSSYSA-N -1 3 376.203 3.718 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)cc1C#N ZINC001201292066 875596388 /nfs/dbraw/zinc/59/63/88/875596388.db2.gz ANSRXXJMPITHPP-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM C[C@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000776280613 876170099 /nfs/dbraw/zinc/17/00/99/876170099.db2.gz VEQBJQPODKMAMF-JTQLQIEISA-N -1 3 393.226 3.605 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1coc2ccccc12 ZINC000746556827 876214294 /nfs/dbraw/zinc/21/42/94/876214294.db2.gz CTWFWZGPELSEET-KRWDZBQOSA-N -1 3 378.413 3.708 20 30 GHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000173166028 876223379 /nfs/dbraw/zinc/22/33/79/876223379.db2.gz ZXNDSFQDYACYAY-SECBINFHSA-N -1 3 397.132 3.763 20 30 GHEDHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C#N)c(C)c3)n2)cc1 ZINC000443912645 876682706 /nfs/dbraw/zinc/68/27/06/876682706.db2.gz DKWCVYIBOBYMDV-CQSZACIVSA-N -1 3 396.472 3.519 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)c(F)c1 ZINC000610081142 877373634 /nfs/dbraw/zinc/37/36/34/877373634.db2.gz HQRCVOFALBXRSG-SFHVURJKSA-N -1 3 390.436 3.966 20 30 GHEDHM Cc1sc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)nc1C(C)C ZINC000451191832 877555837 /nfs/dbraw/zinc/55/58/37/877555837.db2.gz RWAQZHMGHFAHPR-UHFFFAOYSA-N -1 3 383.926 3.773 20 30 GHEDHM N#C[C@@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC001183110448 912292294 /nfs/dbraw/zinc/29/22/94/912292294.db2.gz CYOWXNLVOFNJHO-SNVBAGLBSA-N -1 3 387.230 3.809 20 30 GHEDHM N#C[C@@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC001183110448 912292302 /nfs/dbraw/zinc/29/23/02/912292302.db2.gz CYOWXNLVOFNJHO-SNVBAGLBSA-N -1 3 387.230 3.809 20 30 GHEDHM C#CCn1ccc(CN(CCOC)Cc2cc3oc4ccccc4c3cc2[O-])n1 ZINC000788369804 878036863 /nfs/dbraw/zinc/03/68/63/878036863.db2.gz MGBKQWDQMYDFGM-UHFFFAOYSA-N -1 3 389.455 3.770 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000180111563 878552039 /nfs/dbraw/zinc/55/20/39/878552039.db2.gz VMONFGDDXLKCNV-IBGZPJMESA-N -1 3 393.468 3.585 20 30 GHEDHM CCCOc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c(C)c1 ZINC000853306687 878962789 /nfs/dbraw/zinc/96/27/89/878962789.db2.gz VBKAKTMROABICW-UHFFFAOYSA-N -1 3 382.468 3.830 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(C)cc1Br ZINC000493285038 879363959 /nfs/dbraw/zinc/36/39/59/879363959.db2.gz XUPGRHUSVQGWQA-UHFFFAOYSA-N -1 3 383.242 3.878 20 30 GHEDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)c1C ZINC000461216548 879401527 /nfs/dbraw/zinc/40/15/27/879401527.db2.gz YOTNSXGHNQGMMG-UHFFFAOYSA-N -1 3 386.864 3.815 20 30 GHEDHM CCc1nc(-c2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc2)n[nH]1 ZINC000152970433 880017846 /nfs/dbraw/zinc/01/78/46/880017846.db2.gz ONZXVKOVXMYZMD-CQSZACIVSA-N -1 3 385.349 3.938 20 30 GHEDHM N#C[C@@]1([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCc2ccccc2C1 ZINC000185144746 880489447 /nfs/dbraw/zinc/48/94/47/880489447.db2.gz FEWYVAHLXMCZCN-GOSISDBHSA-N -1 3 394.418 3.576 20 30 GHEDHM N#C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCc2ccccc2C1 ZINC000185151423 880491257 /nfs/dbraw/zinc/49/12/57/880491257.db2.gz DQXPRXVTIRIRHD-QGZVFWFLSA-N -1 3 381.284 3.723 20 30 GHEDHM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000791771270 880669978 /nfs/dbraw/zinc/66/99/78/880669978.db2.gz KCIWAKGMUWRBHK-HNNXBMFYSA-N -1 3 384.819 3.851 20 30 GHEDHM C=CCCO[N-]C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000856029666 880927904 /nfs/dbraw/zinc/92/79/04/880927904.db2.gz YLTMLWABOXJJRO-UHFFFAOYSA-N -1 3 393.534 3.523 20 30 GHEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001275235893 912763890 /nfs/dbraw/zinc/76/38/90/912763890.db2.gz FSSDRRYMVWCQAO-HNNXBMFYSA-N -1 3 383.319 3.993 20 30 GHEDHM CC#CCOC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000785415184 884235889 /nfs/dbraw/zinc/23/58/89/884235889.db2.gz YZOALJNSUUMQQG-UHFFFAOYSA-N -1 3 398.267 3.974 20 30 GHEDHM COc1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)cc1[N-]S(C)(=O)=O ZINC000795814635 912868845 /nfs/dbraw/zinc/86/88/45/912868845.db2.gz WDCSJRCCPDUFSO-SFHVURJKSA-N -1 3 385.489 3.818 20 30 GHEDHM N#CC(=C([O-])c1cc[n+]([O-])cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000915103260 885769234 /nfs/dbraw/zinc/76/92/34/885769234.db2.gz RKBUILRAJVSQJD-BFKIHDCISA-N -1 3 379.485 3.734 20 30 GHEDHM COCC[C@@H](CN=Nc1nc2ccccc2[n-]c1=S)NC(=O)OC(C)(C)C ZINC000863125372 886883277 /nfs/dbraw/zinc/88/32/77/886883277.db2.gz USNDIKBMRATHMC-LBPRGKRZSA-N -1 3 391.497 3.620 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000763096442 887640673 /nfs/dbraw/zinc/64/06/73/887640673.db2.gz IMYHPOYOQOJWKU-GKGMIHAQSA-N -1 3 399.491 3.793 20 30 GHEDHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000173545428 887766680 /nfs/dbraw/zinc/76/66/80/887766680.db2.gz HBSPMXXWDUWMHL-DJJJIMSYSA-N -1 3 381.476 3.697 20 30 GHEDHM CC(C)Oc1ccc(N=Cc2cc(Br)ccc2[O-])cc1C(N)=O ZINC000794846354 888401797 /nfs/dbraw/zinc/40/17/97/888401797.db2.gz APKQFJOGMDBZLY-UHFFFAOYSA-N -1 3 377.238 3.791 20 30 GHEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1cc(Br)ccc1[O-] ZINC000916305958 888903551 /nfs/dbraw/zinc/90/35/51/888903551.db2.gz DMOKSYIKYNDCPW-UHFFFAOYSA-N -1 3 395.212 3.938 20 30 GHEDHM CC(C)Oc1ccccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916320732 888922701 /nfs/dbraw/zinc/92/27/01/888922701.db2.gz IDEXXWDLRUSGAQ-GOSISDBHSA-N -1 3 396.472 3.749 20 30 GHEDHM N#CC(=C([O-])C1=Cc2cc(Br)ccc2OC1)c1nc2ccccc2[nH]1 ZINC000916844682 890286431 /nfs/dbraw/zinc/28/64/31/890286431.db2.gz VPBQJLIVYFMGNJ-CQSZACIVSA-N -1 3 394.228 3.978 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000130475245 890337310 /nfs/dbraw/zinc/33/73/10/890337310.db2.gz XTJRHYWOIDHDQJ-CQSZACIVSA-N -1 3 378.171 3.863 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1-c1ccccc1 ZINC000916909540 890407895 /nfs/dbraw/zinc/40/78/95/890407895.db2.gz MJXWIDHTPXQJJH-HNNXBMFYSA-N -1 3 378.819 3.795 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1[O-] ZINC000812444746 890638161 /nfs/dbraw/zinc/63/81/61/890638161.db2.gz MRAFTKNDNFBXQW-UXNZTACUSA-N -1 3 375.266 3.716 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cn1nc(C(F)F)cc1C1CC1 ZINC000873544327 891678488 /nfs/dbraw/zinc/67/84/88/891678488.db2.gz GUMLISHCJMONHF-OAHLLOKOSA-N -1 3 383.398 3.708 20 30 GHEDHM N#CC(C(=O)Cn1nc(C(F)F)cc1C1CC1)=C([O-])C1(c2ccccc2)CC1 ZINC000873544327 891678494 /nfs/dbraw/zinc/67/84/94/891678494.db2.gz GUMLISHCJMONHF-OAHLLOKOSA-N -1 3 383.398 3.708 20 30 GHEDHM CCCOc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000917538664 892136313 /nfs/dbraw/zinc/13/63/13/892136313.db2.gz PWFDCDQYTXHKIJ-GOSISDBHSA-N -1 3 396.472 3.750 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@](C)(=O)c1ccc(Cl)cc1 ZINC001134401463 892765330 /nfs/dbraw/zinc/76/53/30/892765330.db2.gz VONWSBQPDOZOBU-AREMUKBSSA-N -1 3 391.880 3.545 20 30 GHEDHM Cc1cc(Cl)cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000814741513 893135034 /nfs/dbraw/zinc/13/50/34/893135034.db2.gz FIGAUKOADARNKZ-INIZCTEOSA-N -1 3 386.864 3.923 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nnn1-c1ccccc1 ZINC000918486441 893800542 /nfs/dbraw/zinc/80/05/42/893800542.db2.gz HXTDMMZLHVOAQP-LJQANCHMSA-N -1 3 395.422 3.690 20 30 GHEDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC001185613701 913991916 /nfs/dbraw/zinc/99/19/16/913991916.db2.gz FIFMNPGRVIQWKO-QMTHXVAHSA-N -1 3 395.278 3.516 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)c3ncccc3c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826266401 896763348 /nfs/dbraw/zinc/76/33/48/896763348.db2.gz NNVPZQXHPCBFBE-FPLPWBNLSA-N -1 3 384.443 3.676 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)c3ncccc3c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826266401 896763363 /nfs/dbraw/zinc/76/33/63/896763363.db2.gz NNVPZQXHPCBFBE-FPLPWBNLSA-N -1 3 384.443 3.676 20 30 GHEDHM CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)cc1 ZINC000820471334 897348277 /nfs/dbraw/zinc/34/82/77/897348277.db2.gz SVNHLCSNPNPZJH-FQEVSTJZSA-N -1 3 396.487 3.673 20 30 GHEDHM C#CCCCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823841053 899274039 /nfs/dbraw/zinc/27/40/39/899274039.db2.gz IGNIOFYKPMMSBV-INIZCTEOSA-N -1 3 388.475 3.697 20 30 GHEDHM C#CCCCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823841053 899274054 /nfs/dbraw/zinc/27/40/54/899274054.db2.gz IGNIOFYKPMMSBV-INIZCTEOSA-N -1 3 388.475 3.697 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000823910141 899296030 /nfs/dbraw/zinc/29/60/30/899296030.db2.gz XXCSVLAMZDDENQ-AWEZNQCLSA-N -1 3 394.483 3.563 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000823910141 899296047 /nfs/dbraw/zinc/29/60/47/899296047.db2.gz XXCSVLAMZDDENQ-AWEZNQCLSA-N -1 3 394.483 3.563 20 30 GHEDHM C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823888025 899306734 /nfs/dbraw/zinc/30/67/34/899306734.db2.gz DBWYHDKYXWSPAQ-GJZGRUSLSA-N -1 3 376.464 3.859 20 30 GHEDHM C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823888025 899306745 /nfs/dbraw/zinc/30/67/45/899306745.db2.gz DBWYHDKYXWSPAQ-GJZGRUSLSA-N -1 3 376.464 3.859 20 30 GHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401316 899722387 /nfs/dbraw/zinc/72/23/87/899722387.db2.gz VKLHBFKGXMOMLR-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401316 899722396 /nfs/dbraw/zinc/72/23/96/899722396.db2.gz VKLHBFKGXMOMLR-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM C[C@H](Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1cccc(C#N)c1 ZINC000824662282 899750295 /nfs/dbraw/zinc/75/02/95/899750295.db2.gz HMQXVYRQPMUPQP-LBPRGKRZSA-N -1 3 390.838 3.751 20 30 GHEDHM C[C@H](Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1cccc(C#N)c1 ZINC000824662282 899750309 /nfs/dbraw/zinc/75/03/09/899750309.db2.gz HMQXVYRQPMUPQP-LBPRGKRZSA-N -1 3 390.838 3.751 20 30 GHEDHM C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824897879 899867064 /nfs/dbraw/zinc/86/70/64/899867064.db2.gz CFAVURJVHDFJJU-KCPJHIHWSA-N -1 3 378.461 3.603 20 30 GHEDHM C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824897879 899867071 /nfs/dbraw/zinc/86/70/71/899867071.db2.gz CFAVURJVHDFJJU-KCPJHIHWSA-N -1 3 378.461 3.603 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1Cl ZINC000826475693 900872082 /nfs/dbraw/zinc/87/20/82/900872082.db2.gz NQIBEKTVHUMBKZ-WQLSENKSSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1Cl ZINC000826475693 900872086 /nfs/dbraw/zinc/87/20/86/900872086.db2.gz NQIBEKTVHUMBKZ-WQLSENKSSA-N -1 3 381.779 3.641 20 30 GHEDHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000121865042 901687084 /nfs/dbraw/zinc/68/70/84/901687084.db2.gz NXMJZUCMWWOCSU-YJBOKZPZSA-N -1 3 377.488 3.509 20 30 GHEDHM CCCN(CCc1cccc(F)c1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000264934092 903485584 /nfs/dbraw/zinc/48/55/84/903485584.db2.gz YWILCMRSRNRHFQ-UHFFFAOYSA-N -1 3 383.467 3.829 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC001171366328 904356738 /nfs/dbraw/zinc/35/67/38/904356738.db2.gz WDLBPPCJDLUUCR-MADCSZMMSA-N -1 3 393.287 3.920 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(NC(=O)c4ccco4)c3)nc1-2 ZINC000429573083 905450491 /nfs/dbraw/zinc/45/04/91/905450491.db2.gz XVPOWZJQFWJCEW-OAHLLOKOSA-N -1 3 385.383 3.602 20 30 GHEDHM CC(C)(C)CNC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190962625 906478170 /nfs/dbraw/zinc/47/81/70/906478170.db2.gz WRJCXWXUJQYVII-KRWDZBQOSA-N -1 3 386.455 3.896 20 30 GHEDHM N#CC(=C([O-])c1ccc(C2CCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000192195231 907531412 /nfs/dbraw/zinc/53/14/12/907531412.db2.gz HVMDFALLBFSTMT-GOSISDBHSA-N -1 3 384.443 3.955 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc2onc(C(C)C)c2c1 ZINC000193457320 908404407 /nfs/dbraw/zinc/40/44/07/908404407.db2.gz SUCLOYUBCGXJIY-HNNXBMFYSA-N -1 3 392.415 3.706 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc2onc(C(C)C)c2c1 ZINC000193457339 908404472 /nfs/dbraw/zinc/40/44/72/908404472.db2.gz SUCLOYUBCGXJIY-OAHLLOKOSA-N -1 3 392.415 3.706 20 30 GHEDHM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2c([O-])cccc2F)cc1C ZINC001178413042 909049328 /nfs/dbraw/zinc/04/93/28/909049328.db2.gz LJNDJXAELSQLRZ-UHFFFAOYSA-N -1 3 392.434 3.855 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC000774041905 911321270 /nfs/dbraw/zinc/32/12/70/911321270.db2.gz CHFQYWYBBPRLDR-ZDUSSCGKSA-N -1 3 397.740 3.637 20 30 GHEDHM CCCc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000774334104 911658130 /nfs/dbraw/zinc/65/81/30/911658130.db2.gz KIVXCPSTBWMZAR-SFHVURJKSA-N -1 3 380.473 3.914 20 30 GHEDHM Cc1cccc(C#N)c1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC001188657331 916083098 /nfs/dbraw/zinc/08/30/98/916083098.db2.gz XVUDLGSWJJZMPZ-MRXNPFEDSA-N -1 3 382.407 3.709 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1F ZINC001190188712 917152128 /nfs/dbraw/zinc/15/21/28/917152128.db2.gz MPESGTFTYAXCBU-LBPRGKRZSA-N -1 3 377.746 3.549 20 30 GHEDHM O=S(=O)([N-]Cc1cc(F)cc(F)c1F)c1cc(C(F)(F)F)ccc1F ZINC001190327718 917262716 /nfs/dbraw/zinc/26/27/16/917262716.db2.gz FASYWCUTBAHBDO-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM Cc1cc(F)cc(Br)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190608080 917446257 /nfs/dbraw/zinc/44/62/57/917446257.db2.gz JCAHWULFHUBBEC-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2cncc(C(F)(F)F)c2)C2CC2)c1 ZINC001190677591 917506367 /nfs/dbraw/zinc/50/63/67/917506367.db2.gz PJKCROFVLJKTCI-INIZCTEOSA-N -1 3 399.369 3.541 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(Cc3cccc(Cl)c3)CC2)c1 ZINC001190676981 917507033 /nfs/dbraw/zinc/50/70/33/917507033.db2.gz GMWDHXJPZUOAJI-UHFFFAOYSA-N -1 3 378.856 3.652 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2F)c1 ZINC001190942703 917651637 /nfs/dbraw/zinc/65/16/37/917651637.db2.gz LDKFPGVCPVRFRU-UHFFFAOYSA-N -1 3 379.722 3.565 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114618615 919408677 /nfs/dbraw/zinc/40/86/77/919408677.db2.gz UNVJTFHTSKZCBP-HNNXBMFYSA-N -1 3 392.802 3.883 20 30 GHEDHM O=C([C@H](c1ccccc1F)N1CCOCC1)N([O-])Cc1cccc2ccccc21 ZINC000900091964 919834172 /nfs/dbraw/zinc/83/41/72/919834172.db2.gz UTZATYXEOIEGDA-QFIPXVFZSA-N -1 3 394.446 3.770 20 30 GHEDHM COc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1F ZINC000297919844 919961839 /nfs/dbraw/zinc/96/18/39/919961839.db2.gz ROLXQOBDOGXROH-UHFFFAOYSA-N -1 3 375.381 3.807 20 30 GHEDHM COc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1NC(=O)OC(C)(C)C ZINC000298394388 920488888 /nfs/dbraw/zinc/48/88/88/920488888.db2.gz HFKGHSYRRQLPBH-LSHDLFTRSA-N -1 3 387.436 3.694 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900679751 920510342 /nfs/dbraw/zinc/51/03/42/920510342.db2.gz WFEVWLURQHHBHK-UHFFFAOYSA-N -1 3 387.411 3.550 20 30 GHEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000298845527 920986542 /nfs/dbraw/zinc/98/65/42/920986542.db2.gz IFRFLWIJGUDSBE-UHFFFAOYSA-N -1 3 397.359 3.953 20 30 GHEDHM O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N([O-])Cc1cccc2ccccc21 ZINC000901370436 921046239 /nfs/dbraw/zinc/04/62/39/921046239.db2.gz HMIXVGVVAPNFCH-UHFFFAOYSA-N -1 3 380.356 3.551 20 30 GHEDHM Cc1sc2ncc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)c(=O)n2c1C ZINC000901378161 921055243 /nfs/dbraw/zinc/05/52/43/921055243.db2.gz IOEHFCQDHYZYES-UHFFFAOYSA-N -1 3 398.271 3.711 20 30 GHEDHM Cc1c(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nnn1-c1ccccc1 ZINC000901380027 921058289 /nfs/dbraw/zinc/05/82/89/921058289.db2.gz LDOKCSWEEURKOC-UHFFFAOYSA-N -1 3 391.258 3.843 20 30 GHEDHM CCOc1ccccc1C(=O)NCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380117 921058980 /nfs/dbraw/zinc/05/89/80/921058980.db2.gz YCGUOWALNDATAW-UHFFFAOYSA-N -1 3 397.258 3.540 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(-c2cscn2)cc1 ZINC000750752897 927827868 /nfs/dbraw/zinc/82/78/68/927827868.db2.gz POVXACACRKUPFB-UHFFFAOYSA-N -1 3 379.441 3.937 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)c(C(F)(F)F)c(F)c2)c1 ZINC000759431889 930366229 /nfs/dbraw/zinc/36/62/29/930366229.db2.gz OTOWYYDCQYAYFG-LBPRGKRZSA-N -1 3 398.287 3.953 20 30 GHEDHM CC[C@@H](Cc1ccccc1Br)/N=C/c1c([O-])c(C)ncc1CO ZINC000759643343 930435575 /nfs/dbraw/zinc/43/55/75/930435575.db2.gz MAQJTPZTPCOYAE-LKKXKRCMSA-N -1 3 377.282 3.791 20 30 GHEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])OCc1ccc(Cl)cc1 ZINC000783684337 931616991 /nfs/dbraw/zinc/61/69/91/931616991.db2.gz FBIAIIJDFPQERE-UFWORHAWSA-N -1 3 382.641 3.970 20 30 GHEDHM CC[C@H](NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1cccc(C#N)c1[O-] ZINC000925173695 931689438 /nfs/dbraw/zinc/68/94/38/931689438.db2.gz ZFSLZMOXBLKFFI-KBPBESRZSA-N -1 3 379.386 3.536 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccccc3)o2)cc1OC ZINC000784828818 932010240 /nfs/dbraw/zinc/01/02/40/932010240.db2.gz LIAWYUWWNBBLGU-INIZCTEOSA-N -1 3 390.395 3.925 20 30 GHEDHM C[C@@H]1C(=O)Nc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2N1C ZINC000797568904 932330494 /nfs/dbraw/zinc/33/04/94/932330494.db2.gz XQSQILZDIUSVOS-YPMHNXCESA-N -1 3 382.489 3.707 20 30 GHEDHM COC[C@@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccs1 ZINC001115823605 933212973 /nfs/dbraw/zinc/21/29/73/933212973.db2.gz KQMHTGNXUUGCSC-GFCCVEGCSA-N -1 3 389.502 3.507 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001116687026 933703475 /nfs/dbraw/zinc/70/34/75/933703475.db2.gz XMTSJEMZNCOKNY-UHFFFAOYSA-N -1 3 375.881 3.608 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001121710018 934744660 /nfs/dbraw/zinc/74/46/60/934744660.db2.gz YAMNBORJJKATOY-GFCCVEGCSA-N -1 3 384.871 3.786 20 30 GHEDHM C#C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C(C)C ZINC001573281259 946674877 /nfs/dbraw/zinc/67/48/77/946674877.db2.gz WVBSHRCHRLPRCP-KRWDZBQOSA-N -1 3 395.850 3.700 20 30 GHEDHM C#C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C(C)C ZINC001573281259 946674880 /nfs/dbraw/zinc/67/48/80/946674880.db2.gz WVBSHRCHRLPRCP-KRWDZBQOSA-N -1 3 395.850 3.700 20 30 GHEDHM C#CCOc1ccccc1CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001573289905 946894608 /nfs/dbraw/zinc/89/46/08/946894608.db2.gz QZDLMQNPTIMFEZ-UHFFFAOYSA-N -1 3 391.328 3.649 20 30 GHEDHM C#CCOc1ccccc1CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001573289905 946894620 /nfs/dbraw/zinc/89/46/20/946894620.db2.gz QZDLMQNPTIMFEZ-UHFFFAOYSA-N -1 3 391.328 3.649 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC001573290583 946908305 /nfs/dbraw/zinc/90/83/05/946908305.db2.gz LXZWSELWAWQSKS-UHFFFAOYSA-N -1 3 385.452 3.757 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC001573290583 946908313 /nfs/dbraw/zinc/90/83/13/946908313.db2.gz LXZWSELWAWQSKS-UHFFFAOYSA-N -1 3 385.452 3.757 20 30 GHEDHM C=C(CC)CNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001573295686 947026467 /nfs/dbraw/zinc/02/64/67/947026467.db2.gz SRVSZXBZOFEKMB-UHFFFAOYSA-N -1 3 396.426 3.673 20 30 GHEDHM C=C(CC)CNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001573295686 947026475 /nfs/dbraw/zinc/02/64/75/947026475.db2.gz SRVSZXBZOFEKMB-UHFFFAOYSA-N -1 3 396.426 3.673 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H](CC)C1 ZINC001573334191 947449565 /nfs/dbraw/zinc/44/95/65/947449565.db2.gz ALTFYPUDQFVGCL-MRXNPFEDSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H](CC)C1 ZINC001573334191 947449570 /nfs/dbraw/zinc/44/95/70/947449570.db2.gz ALTFYPUDQFVGCL-MRXNPFEDSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)C)C2 ZINC001573348310 947582435 /nfs/dbraw/zinc/58/24/35/947582435.db2.gz PAMUEMJOWPFAPN-ZDUSSCGKSA-N -1 3 389.525 3.610 20 30 GHEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)C)C2 ZINC001573348310 947582447 /nfs/dbraw/zinc/58/24/47/947582447.db2.gz PAMUEMJOWPFAPN-ZDUSSCGKSA-N -1 3 389.525 3.610 20 30 GHEDHM C=CC1(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CCCCC1 ZINC001520160932 962815834 /nfs/dbraw/zinc/81/58/34/962815834.db2.gz NXGUBRYWBGPSKZ-QHCPKHFHSA-N -1 3 384.520 3.749 20 30 GHEDHM C=CCC[C@H](NCC(=O)N[C@H](C(=O)[O-])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC001588779030 984164076 /nfs/dbraw/zinc/16/40/76/984164076.db2.gz QSLGJOKFDPLSOE-RDJZCZTQSA-N -1 3 386.414 3.528 20 30 GHEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471095373 1016952223 /nfs/dbraw/zinc/95/22/23/1016952223.db2.gz MPRQLVULLUCCCV-QPUJVOFHSA-N -1 3 390.274 3.569 20 30 GHEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1noc2cc(Br)ccc21 ZINC001154896839 1032333788 /nfs/dbraw/zinc/33/37/88/1032333788.db2.gz NGGRGHNAYSONDK-UHFFFAOYSA-N -1 3 394.188 3.657 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc(-c3ccccc3)nc(=S)[n-]2)[C@H](C#N)C1 ZINC001228346203 1032899219 /nfs/dbraw/zinc/89/92/19/1032899219.db2.gz AHMGOTNKBCRVMP-ZBFHGGJFSA-N -1 3 398.488 3.570 20 30 GHEDHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1C#N ZINC000756321488 1023589564 /nfs/dbraw/zinc/58/95/64/1023589564.db2.gz JSTSYSBORSFNIY-MRXNPFEDSA-N -1 3 389.249 3.635 20 30 GHEDHM CSc1nc2c(c(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)n1)CCC2 ZINC001163764958 1026307445 /nfs/dbraw/zinc/30/74/45/1026307445.db2.gz HKUREZALPGYJHY-UHFFFAOYSA-N -1 3 384.383 3.834 20 30 GHEDHM Cc1nc2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc2c(=O)o1 ZINC001163769210 1026311035 /nfs/dbraw/zinc/31/10/35/1026311035.db2.gz SHUQQBDKTLXFSR-UHFFFAOYSA-N -1 3 379.294 3.643 20 30 GHEDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cc1F ZINC001210462444 1027521040 /nfs/dbraw/zinc/52/10/40/1027521040.db2.gz NBRNULPHOZPLEH-NSHDSACASA-N -1 3 390.461 3.960 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCc3c2ccc(F)c3Br)c1[O-] ZINC000840710386 1027750508 /nfs/dbraw/zinc/75/05/08/1027750508.db2.gz RXONIVHPPHPRBI-CROWGAHTSA-N -1 3 379.229 3.596 20 30 GHEDHM CCn1cc(C(=O)Nc2ccc([O-])c(C#N)c2)c(=O)c2cc(F)c(Cl)cc21 ZINC001151274911 1030838959 /nfs/dbraw/zinc/83/89/59/1030838959.db2.gz PLMFUKGVYAXPBM-UHFFFAOYSA-N -1 3 385.782 3.643 20 30 GHEDHM COc1cc([O-])cc(O[C@H]2CNCC(F)(F)C2)c1C(=O)/C=C/c1ccccc1 ZINC001218276624 1030866015 /nfs/dbraw/zinc/86/60/15/1030866015.db2.gz VOKJMXVVWREPSO-KXPUMZMLSA-N -1 3 389.398 3.673 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3sc(C)cc3[nH]2)c(C)c1[O-] ZINC001154005616 1031869187 /nfs/dbraw/zinc/86/91/87/1031869187.db2.gz VGQDJNMNVVMDLA-UHFFFAOYSA-N -1 3 383.429 3.853 20 30 GHEDHM COc1cc([O-])cc(O[C@H](C[N+](=O)[O-])C2CC2)c1C(=O)/C=C/c1ccccc1 ZINC001229528647 1033541424 /nfs/dbraw/zinc/54/14/24/1033541424.db2.gz CHAGQWFKVUQIHE-JRMCHAMMSA-N -1 3 383.400 3.731 20 30 GHEDHM COc1cc(O[C@@H]2CCc3nccn3C2)ccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC001230165958 1033926695 /nfs/dbraw/zinc/92/66/95/1033926695.db2.gz FXJXZISUTSTONQ-URZUPRTMSA-N -1 3 390.439 3.887 20 30 GHEDHM CCC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCN([O-])C2=O)c(C(C)(C)CC)c1 ZINC001159325304 1034545263 /nfs/dbraw/zinc/54/52/63/1034545263.db2.gz ULBZCLCUVLYXAT-QGZVFWFLSA-N -1 3 390.524 3.547 20 30 GHEDHM N#CCCN(Cc1ccccc1)Cc1ccc(I)cc1[O-] ZINC001232973844 1038744974 /nfs/dbraw/zinc/74/49/74/1038744974.db2.gz BQYLKYLSZXCIRM-UHFFFAOYSA-N -1 3 392.240 3.913 20 30 GHEDHM [O-]c1c(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cccc1C(F)(F)F ZINC001233415923 1039269505 /nfs/dbraw/zinc/26/95/05/1039269505.db2.gz OLUFSRTXGLPPLH-AAEUAGOBSA-N -1 3 375.284 3.638 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1OC1CN(Cc2ccc(Br)cc2)C1 ZINC001233802998 1039627214 /nfs/dbraw/zinc/62/72/14/1039627214.db2.gz KQTBMLSPYCQHDT-AWQFTUOYSA-N -1 3 391.265 3.529 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001233804474 1039628613 /nfs/dbraw/zinc/62/86/13/1039628613.db2.gz ZVXVVFJCSJIXLB-MPWDILAASA-N -1 3 376.453 3.670 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1OC[C@@H]1Cc2cccc(Br)c2O1 ZINC001233803226 1039629334 /nfs/dbraw/zinc/62/93/34/1039629334.db2.gz LVSWBKKZWHJAPX-PFHXIJNMSA-N -1 3 378.222 3.648 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3Cc4cccc(Br)c4C3)c12 ZINC001234513075 1040091520 /nfs/dbraw/zinc/09/15/20/1040091520.db2.gz IAPIVRHUBOKMLD-LBPRGKRZSA-N -1 3 382.217 3.516 20 30 GHEDHM N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3CCN(Cc4ccc(Cl)cc4)C3)c2c1 ZINC001234530621 1040103821 /nfs/dbraw/zinc/10/38/21/1040103821.db2.gz KASSPKPWCJGAJL-MRXNPFEDSA-N -1 3 380.835 3.514 20 30 GHEDHM N#Cc1c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)sc2c1CCNC2 ZINC001237477216 1042225764 /nfs/dbraw/zinc/22/57/64/1042225764.db2.gz RNJZBKOWTKGWRN-UHFFFAOYSA-N -1 3 395.509 3.733 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2ncsc2c1Br ZINC001258273900 1044488267 /nfs/dbraw/zinc/48/82/67/1044488267.db2.gz RKBGUPABDAMHPE-UHFFFAOYSA-N -1 3 394.275 3.731 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)ccc1F ZINC001259413055 1045135387 /nfs/dbraw/zinc/13/53/87/1045135387.db2.gz YZBMHGFQTMTRRZ-UHFFFAOYSA-N -1 3 379.722 3.565 20 30 GHEDHM C=CCS(=O)(=O)[N-]c1cccc(Br)c1NC(=O)OC(C)(C)C ZINC001259931540 1045335602 /nfs/dbraw/zinc/33/56/02/1045335602.db2.gz POVIJFFOZZETCG-UHFFFAOYSA-N -1 3 391.287 3.724 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1F ZINC001260500105 1045518685 /nfs/dbraw/zinc/51/86/85/1045518685.db2.gz QVDLHLOUPIGXHO-UHFFFAOYSA-N -1 3 378.278 3.536 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)ccc1Br ZINC001261048301 1045868445 /nfs/dbraw/zinc/86/84/45/1045868445.db2.gz UDNRXJUGFQALBJ-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]CC(F)(C(F)(F)F)C(F)(F)F ZINC001306878761 1048940127 /nfs/dbraw/zinc/94/01/27/1048940127.db2.gz QVVGTJDPGYXBQP-LURJTMIESA-N -1 3 383.210 3.681 20 30 GHEDHM COc1ccc(-c2ccc(C[N-]S(=O)(=O)c3ccsc3C#N)s2)cc1 ZINC001309281782 1050553020 /nfs/dbraw/zinc/55/30/20/1050553020.db2.gz VHDJZROFOOLDHS-UHFFFAOYSA-N -1 3 390.511 3.835 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1F ZINC001309488363 1050758396 /nfs/dbraw/zinc/75/83/96/1050758396.db2.gz JEKZQIRKFOUXBO-ZDUSSCGKSA-N -1 3 376.211 3.924 20 30 GHEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)cc1F ZINC001309530284 1050788329 /nfs/dbraw/zinc/78/83/29/1050788329.db2.gz FVRVDKQBNYIYGS-INIZCTEOSA-N -1 3 380.416 3.687 20 30 GHEDHM COc1ccc([C@@H](Cc2ccccc2)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001343598437 1053915433 /nfs/dbraw/zinc/91/54/33/1053915433.db2.gz GCFAXPWGNLZEOZ-HXUWFJFHSA-N -1 3 392.480 3.718 20 30 GHEDHM C[C@@]1(C#N)CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001345295694 1054976683 /nfs/dbraw/zinc/97/66/83/1054976683.db2.gz OAAPFQLCSYWLEC-FQEVSTJZSA-N -1 3 394.504 3.800 20 30 GHEDHM CCCCOc1ccc([C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC001321830422 1056412279 /nfs/dbraw/zinc/41/22/79/1056412279.db2.gz YXTVTSAZRKBKAH-AWEZNQCLSA-N -1 3 388.489 3.674 20 30 GHEDHM COC[C@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C)cc1 ZINC001322097012 1056515546 /nfs/dbraw/zinc/51/55/46/1056515546.db2.gz JZWRIURIFPHBQJ-HNNXBMFYSA-N -1 3 397.500 3.754 20 30 GHEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnc(C2CCCC2)o1 ZINC001322526632 1056743811 /nfs/dbraw/zinc/74/38/11/1056743811.db2.gz MEBXXOOFCFLFGW-HNNXBMFYSA-N -1 3 388.493 3.553 20 30 GHEDHM C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000848291271 1056976673 /nfs/dbraw/zinc/97/66/73/1056976673.db2.gz OWTCZVNKYQZTGH-GOSISDBHSA-N -1 3 396.512 3.590 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc(OC(F)F)c1 ZINC001324782905 1057225803 /nfs/dbraw/zinc/22/58/03/1057225803.db2.gz XXFNPCHFRZVTTE-UHFFFAOYSA-N -1 3 391.399 3.642 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc2cnccc2c1 ZINC001326581224 1057516664 /nfs/dbraw/zinc/51/66/64/1057516664.db2.gz YZIRHQANNFNFOY-UHFFFAOYSA-N -1 3 376.441 3.589 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001341738735 1060850772 /nfs/dbraw/zinc/85/07/72/1060850772.db2.gz DCKFTOFINMRGBQ-QRWLVFNGSA-N -1 3 390.491 3.913 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2cc(C)cc(C)c2C1 ZINC001341836891 1060916580 /nfs/dbraw/zinc/91/65/80/1060916580.db2.gz ATWNMZTWHRRYMQ-UHFFFAOYSA-N -1 3 390.491 3.505 20 30 GHEDHM CC(C)c1ccc(-c2noc(CCC(=O)[N-]Oc3cccc(C#N)c3)n2)cc1 ZINC001454683772 1061909126 /nfs/dbraw/zinc/90/91/26/1061909126.db2.gz KVKSOHIAUOPHSG-UHFFFAOYSA-N -1 3 376.416 3.774 20 30 GHEDHM CSc1ccc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1C#N ZINC001455781735 1062288718 /nfs/dbraw/zinc/28/87/18/1062288718.db2.gz PIKMHMVDYRJIKS-UHFFFAOYSA-N -1 3 383.860 3.705 20 30 GHEDHM C#CCC1([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCCCC1 ZINC001464621012 1065116285 /nfs/dbraw/zinc/11/62/85/1065116285.db2.gz MEERJBZVCABPTO-UHFFFAOYSA-N -1 3 389.926 3.501 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001465389851 1065581412 /nfs/dbraw/zinc/58/14/12/1065581412.db2.gz AOLGXSJLAQAFNS-OAHLLOKOSA-N -1 3 385.197 3.807 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1scc2c1OCCO2 ZINC000847623494 1065774172 /nfs/dbraw/zinc/77/41/72/1065774172.db2.gz LCSFGNWUELZPKA-AWEZNQCLSA-N -1 3 384.457 3.605 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cn(C(C)C)nc1C ZINC000847624085 1065777496 /nfs/dbraw/zinc/77/74/96/1065777496.db2.gz RJZAJBHNSMZHLM-CYBMUJFWSA-N -1 3 388.855 3.704 20 30 GHEDHM C=CC[C@@H]1CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001469921428 1068469712 /nfs/dbraw/zinc/46/97/12/1068469712.db2.gz VEVNNMPRUIKYBK-GFCCVEGCSA-N -1 3 380.366 3.855 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC23CCCC3)ccc1F ZINC001460529831 1068989298 /nfs/dbraw/zinc/98/92/98/1068989298.db2.gz WFYYEDOOQBPFFT-GOSISDBHSA-N -1 3 394.512 3.523 20 30 GHEDHM O=C([C@@H](c1ccccc1)N1CCSCC1)N([O-])Cc1ccccc1Cl ZINC001472620364 1073580708 /nfs/dbraw/zinc/58/07/08/1073580708.db2.gz ZCYZTHZGAZJVFV-GOSISDBHSA-N -1 3 376.909 3.848 20 30 GHEDHM CN1CCN([C@H](C(=O)N([O-])Cc2cccc3ccccc32)c2ccccc2)CC1 ZINC001472621909 1073582390 /nfs/dbraw/zinc/58/23/90/1073582390.db2.gz BBRHTMCNTKQSMD-QHCPKHFHSA-N -1 3 389.499 3.546 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1OC ZINC000736310383 598829867 /nfs/dbraw/zinc/82/98/67/598829867.db2.gz YKQYBHOJFLKDEM-AWEZNQCLSA-N -1 3 398.854 3.822 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1OC ZINC000736310383 598829869 /nfs/dbraw/zinc/82/98/69/598829869.db2.gz YKQYBHOJFLKDEM-AWEZNQCLSA-N -1 3 398.854 3.822 20 30 GHEDHM C=CC1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000735402489 598889856 /nfs/dbraw/zinc/88/98/56/598889856.db2.gz CDQNEICDNYHIQG-UHFFFAOYSA-N -1 3 394.504 3.703 20 30 GHEDHM C=CCN(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C(C)C ZINC000735416026 598906004 /nfs/dbraw/zinc/90/60/04/598906004.db2.gz BOMZBLAMRIIFFB-UHFFFAOYSA-N -1 3 382.493 3.701 20 30 GHEDHM N#Cc1cc(NC(=O)CCc2ccc(Cl)cc2Cl)ccc1-c1nnn[n-]1 ZINC000737704476 598918982 /nfs/dbraw/zinc/91/89/82/598918982.db2.gz JCHYVQQSELBZKN-UHFFFAOYSA-N -1 3 387.230 3.616 20 30 GHEDHM N#Cc1cc(NC(=O)CCc2ccc(Cl)cc2Cl)ccc1-c1nn[n-]n1 ZINC000737704476 598918984 /nfs/dbraw/zinc/91/89/84/598918984.db2.gz JCHYVQQSELBZKN-UHFFFAOYSA-N -1 3 387.230 3.616 20 30 GHEDHM CCCCN(CC)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736456512 598920559 /nfs/dbraw/zinc/92/05/59/598920559.db2.gz JETKNGBMAPJFEB-UHFFFAOYSA-N -1 3 389.463 3.617 20 30 GHEDHM CCCCN(CC)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736456512 598920561 /nfs/dbraw/zinc/92/05/61/598920561.db2.gz JETKNGBMAPJFEB-UHFFFAOYSA-N -1 3 389.463 3.617 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716939 598927335 /nfs/dbraw/zinc/92/73/35/598927335.db2.gz XGAUZONWAVSNMI-OCCSQVGLSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716939 598927336 /nfs/dbraw/zinc/92/73/36/598927336.db2.gz XGAUZONWAVSNMI-OCCSQVGLSA-N -1 3 399.241 3.787 20 30 GHEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1c(Cl)cccc1Cl ZINC000735551718 598929038 /nfs/dbraw/zinc/92/90/38/598929038.db2.gz RYXHOBAPFMWGHE-SECBINFHSA-N -1 3 387.230 3.787 20 30 GHEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1c(Cl)cccc1Cl ZINC000735551718 598929039 /nfs/dbraw/zinc/92/90/39/598929039.db2.gz RYXHOBAPFMWGHE-SECBINFHSA-N -1 3 387.230 3.787 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203208 599157518 /nfs/dbraw/zinc/15/75/18/599157518.db2.gz SLKZGSLHSKXSOL-YHYXMXQVSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1cc(C)ccc1C ZINC000737320033 599157799 /nfs/dbraw/zinc/15/77/99/599157799.db2.gz LMOSJRTVTYINQP-KTKRTIGZSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cnn1-c1cc(C)ccc1C ZINC000737320033 599157802 /nfs/dbraw/zinc/15/78/02/599157802.db2.gz LMOSJRTVTYINQP-KTKRTIGZSA-N -1 3 384.443 3.874 20 30 GHEDHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736392802 599190903 /nfs/dbraw/zinc/19/09/03/599190903.db2.gz SJJPAXMMXJKNSY-GOSISDBHSA-N -1 3 390.447 3.658 20 30 GHEDHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736392802 599190906 /nfs/dbraw/zinc/19/09/06/599190906.db2.gz SJJPAXMMXJKNSY-GOSISDBHSA-N -1 3 390.447 3.658 20 30 GHEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735691768 599200716 /nfs/dbraw/zinc/20/07/16/599200716.db2.gz PRZRNTDSXOAWJE-HNNXBMFYSA-N -1 3 396.838 3.590 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(Br)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202331 598378574 /nfs/dbraw/zinc/37/85/74/598378574.db2.gz LLTYFORBUCBNHB-TWGQIWQCSA-N -1 3 398.264 3.581 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(Br)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202331 598378576 /nfs/dbraw/zinc/37/85/76/598378576.db2.gz LLTYFORBUCBNHB-TWGQIWQCSA-N -1 3 398.264 3.581 20 30 GHEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000736192245 598568860 /nfs/dbraw/zinc/56/88/60/598568860.db2.gz KVSBYBDDNJYVBF-LLVKDONJSA-N -1 3 379.493 3.866 20 30 GHEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(C(C)(C)C)cc1 ZINC000736192245 598568861 /nfs/dbraw/zinc/56/88/61/598568861.db2.gz KVSBYBDDNJYVBF-LLVKDONJSA-N -1 3 379.493 3.866 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CC(c2ccccc2)C1 ZINC000735420758 598633740 /nfs/dbraw/zinc/63/37/40/598633740.db2.gz SQOOOCUKOBVPJI-UHFFFAOYSA-N -1 3 388.475 3.511 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC(c2ccccc2)C1 ZINC000735420758 598633742 /nfs/dbraw/zinc/63/37/42/598633742.db2.gz SQOOOCUKOBVPJI-UHFFFAOYSA-N -1 3 388.475 3.511 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(OCC(C)C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202529 598640619 /nfs/dbraw/zinc/64/06/19/598640619.db2.gz NGVINTQXYQDUBX-FLIBITNWSA-N -1 3 391.475 3.854 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(OCC(C)C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202529 598640620 /nfs/dbraw/zinc/64/06/20/598640620.db2.gz NGVINTQXYQDUBX-FLIBITNWSA-N -1 3 391.475 3.854 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000735420838 598655536 /nfs/dbraw/zinc/65/55/36/598655536.db2.gz UQBXULZUKWMSBL-UHFFFAOYSA-N -1 3 384.443 3.690 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000735420838 598655538 /nfs/dbraw/zinc/65/55/38/598655538.db2.gz UQBXULZUKWMSBL-UHFFFAOYSA-N -1 3 384.443 3.690 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000735419799 598782298 /nfs/dbraw/zinc/78/22/98/598782298.db2.gz IRAULYPNJDHOLQ-PKOBYXMFSA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000735419799 598782299 /nfs/dbraw/zinc/78/22/99/598782299.db2.gz IRAULYPNJDHOLQ-PKOBYXMFSA-N -1 3 382.512 3.779 20 30 GHEDHM C=C(Cl)CNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735402290 599500877 /nfs/dbraw/zinc/50/08/77/599500877.db2.gz PPHDSGMCIXJTOB-UHFFFAOYSA-N -1 3 398.854 3.628 20 30 GHEDHM C=C(Cl)CNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735402290 599500880 /nfs/dbraw/zinc/50/08/80/599500880.db2.gz PPHDSGMCIXJTOB-UHFFFAOYSA-N -1 3 398.854 3.628 20 30 GHEDHM N#CCC1(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000822805614 599627237 /nfs/dbraw/zinc/62/72/37/599627237.db2.gz AFVKDMCMHFTHNQ-UHFFFAOYSA-N -1 3 375.388 3.510 20 30 GHEDHM N#CCC1(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000822805614 599627238 /nfs/dbraw/zinc/62/72/38/599627238.db2.gz AFVKDMCMHFTHNQ-UHFFFAOYSA-N -1 3 375.388 3.510 20 30 GHEDHM CCOc1cc(C(=O)C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)[O-] ZINC000737179676 600056085 /nfs/dbraw/zinc/05/60/85/600056085.db2.gz QBNJYVHJEUGKHC-CYBMUJFWSA-N -1 3 396.424 3.648 20 30 GHEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC1CCCC1 ZINC000738008531 600597553 /nfs/dbraw/zinc/59/75/53/600597553.db2.gz MWFBTJQQSRZSJR-NRFANRHFSA-N -1 3 380.444 3.804 20 30 GHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504768 607458933 /nfs/dbraw/zinc/45/89/33/607458933.db2.gz ULIUXIJGOSFBDP-YRNVUSSQSA-N -1 3 377.354 3.839 20 30 GHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504768 607458934 /nfs/dbraw/zinc/45/89/34/607458934.db2.gz ULIUXIJGOSFBDP-YRNVUSSQSA-N -1 3 377.354 3.839 20 30 GHEDHM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000740303412 602670052 /nfs/dbraw/zinc/67/00/52/602670052.db2.gz JHZZSKCIYMFYSI-IRXDYDNUSA-N -1 3 399.834 3.776 20 30 GHEDHM C[C@@H]1CCC(=CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820674920 606626851 /nfs/dbraw/zinc/62/68/51/606626851.db2.gz HHMHWOJGMMGAHK-XKROAPFSSA-N -1 3 390.472 3.913 20 30 GHEDHM C[C@@H]1CCC(=CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820674920 606626853 /nfs/dbraw/zinc/62/68/53/606626853.db2.gz HHMHWOJGMMGAHK-XKROAPFSSA-N -1 3 390.472 3.913 20 30 GHEDHM C=C1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)CC1 ZINC000819729850 606789867 /nfs/dbraw/zinc/78/98/67/606789867.db2.gz NRGFYMUTHIJBLF-UHFFFAOYSA-N -1 3 375.432 3.760 20 30 GHEDHM C=C1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)CC1 ZINC000819729850 606789869 /nfs/dbraw/zinc/78/98/69/606789869.db2.gz NRGFYMUTHIJBLF-UHFFFAOYSA-N -1 3 375.432 3.760 20 30 GHEDHM N#Cc1ccc(F)cc1CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822830062 607035547 /nfs/dbraw/zinc/03/55/47/607035547.db2.gz TWSNRDDUGMRQLQ-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1ccc(F)cc1CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822830062 607035548 /nfs/dbraw/zinc/03/55/48/607035548.db2.gz TWSNRDDUGMRQLQ-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)OCC ZINC000823874027 607893704 /nfs/dbraw/zinc/89/37/04/607893704.db2.gz RFBODKCGVKOALU-IBGZPJMESA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)OCC ZINC000823874027 607893705 /nfs/dbraw/zinc/89/37/05/607893705.db2.gz RFBODKCGVKOALU-IBGZPJMESA-N -1 3 393.447 3.969 20 30 GHEDHM C#CC[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837305 607961380 /nfs/dbraw/zinc/96/13/80/607961380.db2.gz ASKXKUQBUCHIAX-SFHVURJKSA-N -1 3 390.447 3.540 20 30 GHEDHM C#CC[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837305 607961381 /nfs/dbraw/zinc/96/13/81/607961381.db2.gz ASKXKUQBUCHIAX-SFHVURJKSA-N -1 3 390.447 3.540 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000826381947 607982335 /nfs/dbraw/zinc/98/23/35/607982335.db2.gz HEWXJTQQAYLWRD-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000826381947 607982336 /nfs/dbraw/zinc/98/23/36/607982336.db2.gz HEWXJTQQAYLWRD-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM CCC[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825224671 608060388 /nfs/dbraw/zinc/06/03/88/608060388.db2.gz BADKIPFQDJSRGE-ZDUSSCGKSA-N -1 3 396.838 3.734 20 30 GHEDHM CCC[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825224671 608060389 /nfs/dbraw/zinc/06/03/89/608060389.db2.gz BADKIPFQDJSRGE-ZDUSSCGKSA-N -1 3 396.838 3.734 20 30 GHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826395694 608288746 /nfs/dbraw/zinc/28/87/46/608288746.db2.gz PHCSPKVTOOJUEB-ARJAWSKDSA-N -1 3 378.194 3.791 20 30 GHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826395694 608288748 /nfs/dbraw/zinc/28/87/48/608288748.db2.gz PHCSPKVTOOJUEB-ARJAWSKDSA-N -1 3 378.194 3.791 20 30 GHEDHM CC(C)N(CCC#N)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824288756 608586069 /nfs/dbraw/zinc/58/60/69/608586069.db2.gz MZGKSICVWQDERG-UHFFFAOYSA-N -1 3 376.464 3.570 20 30 GHEDHM CC(C)N(CCC#N)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824288756 608586070 /nfs/dbraw/zinc/58/60/70/608586070.db2.gz MZGKSICVWQDERG-UHFFFAOYSA-N -1 3 376.464 3.570 20 30 GHEDHM N#Cc1cc(C=C2CCC(=Cc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)ccc1F ZINC000826383789 608874855 /nfs/dbraw/zinc/87/48/55/608874855.db2.gz QBCNPTSRTNEYKZ-IROCBMIISA-N -1 3 389.365 3.846 20 30 GHEDHM N#Cc1cc(C=C2CCC(=Cc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)ccc1F ZINC000826383789 608874857 /nfs/dbraw/zinc/87/48/57/608874857.db2.gz QBCNPTSRTNEYKZ-IROCBMIISA-N -1 3 389.365 3.846 20 30 GHEDHM N#CC1(c2ccc(C(=O)Nc3sc4c(c3-c3nnn[n-]3)CCCC4)cc2)CC1 ZINC000826379921 609141570 /nfs/dbraw/zinc/14/15/70/609141570.db2.gz GXPZWXVBDXYIIU-UHFFFAOYSA-N -1 3 390.472 3.614 20 30 GHEDHM N#CC1(c2ccc(C(=O)Nc3sc4c(c3-c3nn[n-]n3)CCCC4)cc2)CC1 ZINC000826379921 609141572 /nfs/dbraw/zinc/14/15/72/609141572.db2.gz GXPZWXVBDXYIIU-UHFFFAOYSA-N -1 3 390.472 3.614 20 30 GHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400297 609272371 /nfs/dbraw/zinc/27/23/71/609272371.db2.gz VBOXBWIAQVSFMV-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400297 609272372 /nfs/dbraw/zinc/27/23/72/609272372.db2.gz VBOXBWIAQVSFMV-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM Cc1cc(C)cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264775 609308939 /nfs/dbraw/zinc/30/89/39/609308939.db2.gz ZXZUOZUWKGHKID-HJWRWDBZSA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1cc(C)cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264775 609308941 /nfs/dbraw/zinc/30/89/41/609308941.db2.gz ZXZUOZUWKGHKID-HJWRWDBZSA-N -1 3 384.443 3.780 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2ccc(F)cc2)nc1)c1nnc2n1CCCCC2 ZINC000659053393 837398106 /nfs/dbraw/zinc/39/81/06/837398106.db2.gz PVMFCQQTGCWORT-KRWDZBQOSA-N -1 3 391.406 3.821 20 30 GHEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3cccc4n[n-]nc43)c2)cc1 ZINC000187226254 837612562 /nfs/dbraw/zinc/61/25/62/837612562.db2.gz JELSHRXGPZGADT-UHFFFAOYSA-N -1 3 383.411 3.855 20 30 GHEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2c(F)cccc2F)c(OC)cc1[O-] ZINC000255713491 835664715 /nfs/dbraw/zinc/66/47/15/835664715.db2.gz WYFQCRUMAIPWDS-SREVYHEPSA-N -1 3 386.354 3.974 20 30 GHEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1[nH]c2ccccc2c1Br ZINC000065880155 836104303 /nfs/dbraw/zinc/10/43/03/836104303.db2.gz GZRUOOXGEKMCEP-UHFFFAOYSA-N -1 3 383.209 3.747 20 30 GHEDHM Cc1cc(C)cc(C2=CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)c1 ZINC000180309101 837046857 /nfs/dbraw/zinc/04/68/57/837046857.db2.gz YQAYIFWJGDSPSE-UHFFFAOYSA-N -1 3 389.499 3.729 20 30 GHEDHM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cs1 ZINC000126253629 844235912 /nfs/dbraw/zinc/23/59/12/844235912.db2.gz PFEBXJQNCKZLRS-OAHLLOKOSA-N -1 3 377.425 3.780 20 30 GHEDHM Cc1ccc(O[C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(Br)c1 ZINC000051266443 837942607 /nfs/dbraw/zinc/94/26/07/837942607.db2.gz CGKNJBQGPQRNJH-SSDOTTSWSA-N -1 3 393.163 3.950 20 30 GHEDHM Cc1ccc(O[C@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(Br)c1 ZINC000051266443 837942611 /nfs/dbraw/zinc/94/26/11/837942611.db2.gz CGKNJBQGPQRNJH-SSDOTTSWSA-N -1 3 393.163 3.950 20 30 GHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)COc1ccccc1Br ZINC000255169804 838885843 /nfs/dbraw/zinc/88/58/43/838885843.db2.gz FVGIUYPFICNZHV-OPCBQMRQSA-N -1 3 384.657 3.667 20 30 GHEDHM CCCCc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(C(=O)OCC)[n-]1 ZINC000415513160 839897512 /nfs/dbraw/zinc/89/75/12/839897512.db2.gz DNZMJCKRELLBAX-JKSUJKDBSA-N -1 3 380.448 3.543 20 30 GHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000416964615 840312565 /nfs/dbraw/zinc/31/25/65/840312565.db2.gz WEAIGUBCMUFLSN-CYBMUJFWSA-N -1 3 385.367 3.937 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000127229287 841933645 /nfs/dbraw/zinc/93/36/45/841933645.db2.gz JWDVNSZCBJVSKN-UHFFFAOYSA-N -1 3 377.366 3.540 20 30 GHEDHM N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000513666745 846214552 /nfs/dbraw/zinc/21/45/52/846214552.db2.gz NOSCIKKVHBCUGJ-CQSZACIVSA-N -1 3 392.369 3.561 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)ccc1F ZINC000480001550 848022004 /nfs/dbraw/zinc/02/20/04/848022004.db2.gz ZALSSUQKHHSYKB-INIZCTEOSA-N -1 3 386.370 3.539 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000132064035 861896332 /nfs/dbraw/zinc/89/63/32/861896332.db2.gz CTJLIBDETZDZCR-UHFFFAOYSA-N -1 3 399.922 3.835 20 30 GHEDHM FC(F)(F)CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc(Br)cc1 ZINC000731925370 861941485 /nfs/dbraw/zinc/94/14/85/861941485.db2.gz AFLKSEROXLAOFQ-UHFFFAOYSA-N -1 3 399.174 3.884 20 30 GHEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 ZINC000487335543 850692029 /nfs/dbraw/zinc/69/20/29/850692029.db2.gz NLMTXMUFBRWUQN-OAHLLOKOSA-N -1 3 385.272 3.531 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c(C)c1 ZINC000515633460 851275360 /nfs/dbraw/zinc/27/53/60/851275360.db2.gz IKSPULNKTIILSG-UHFFFAOYSA-N -1 3 384.379 3.917 20 30 GHEDHM C=CCOc1ccccc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049301615 851648126 /nfs/dbraw/zinc/64/81/26/851648126.db2.gz BTLRJVDPJCZECK-UHFFFAOYSA-N -1 3 375.428 3.816 20 30 GHEDHM CN(C(=O)c1ccco1)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000518155102 852943907 /nfs/dbraw/zinc/94/39/07/852943907.db2.gz NOGSFAUVYUKHSV-INIZCTEOSA-N -1 3 398.422 3.933 20 30 GHEDHM Cc1c(F)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Br ZINC000427294737 852944457 /nfs/dbraw/zinc/94/44/57/852944457.db2.gz GSAIGDDYELWOPJ-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(-c2ccccc2)cs1 ZINC000151168504 853120227 /nfs/dbraw/zinc/12/02/27/853120227.db2.gz IEZOLZRYMYIREE-LBPRGKRZSA-N -1 3 387.461 3.860 20 30 GHEDHM N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cnc1C(F)(F)F ZINC000490673373 853192497 /nfs/dbraw/zinc/19/24/97/853192497.db2.gz LSCUVBHVNSDDMA-UHFFFAOYSA-N -1 3 375.228 3.949 20 30 GHEDHM CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc21 ZINC000328658624 854492128 /nfs/dbraw/zinc/49/21/28/854492128.db2.gz RJWMJLAPVZCEMB-UHFFFAOYSA-N -1 3 397.410 3.505 20 30 GHEDHM C#CCCOc1ccc(C(=O)Nc2nc(CCCC)[n-]c2C(=O)OCC)cc1 ZINC001128072951 855229058 /nfs/dbraw/zinc/22/90/58/855229058.db2.gz BLPFZHSXUOEZID-UHFFFAOYSA-N -1 3 383.448 3.583 20 30 GHEDHM CCCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000055770478 855390074 /nfs/dbraw/zinc/39/00/74/855390074.db2.gz OLAPHVOKCMDCPY-UHFFFAOYSA-N -1 3 387.867 3.877 20 30 GHEDHM COc1ccc(CN=Nc2oc(CC(C)C)nc2C#N)c(Br)c1[O-] ZINC000761013776 857328726 /nfs/dbraw/zinc/32/87/26/857328726.db2.gz UBLRMFPHGSKWRV-UHFFFAOYSA-N -1 3 393.241 3.667 20 30 GHEDHM Cc1cc(Br)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000020010540 858308270 /nfs/dbraw/zinc/30/82/70/858308270.db2.gz ZYKLPQSQQAUJEF-UHFFFAOYSA-N -1 3 388.265 3.506 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000443338180 858583285 /nfs/dbraw/zinc/58/32/85/858583285.db2.gz DZOIEQXEHSFTGY-CMPLNLGQSA-N -1 3 380.819 3.859 20 30 GHEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000443423113 858664100 /nfs/dbraw/zinc/66/41/00/858664100.db2.gz PQDLTEXDSCPRMS-UHFFFAOYSA-N -1 3 389.473 3.548 20 30 GHEDHM COCCc1nnc(-c2cccc(C([O-])=C(C#N)c3nccc4ccccc43)c2)o1 ZINC000483222102 859217124 /nfs/dbraw/zinc/21/71/24/859217124.db2.gz STIHZZSDKXICCH-LJQANCHMSA-N -1 3 398.422 3.964 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)cc(OC(F)F)c1 ZINC000601886267 859609324 /nfs/dbraw/zinc/60/93/24/859609324.db2.gz UBQNUWBYVPNSPZ-UHFFFAOYSA-N -1 3 379.338 3.588 20 30 GHEDHM CSc1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000597569689 859644028 /nfs/dbraw/zinc/64/40/28/859644028.db2.gz AYRJHDGTJQMNTM-UHFFFAOYSA-N -1 3 387.892 3.602 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CCc2cccc(OCc3ccccc3)c2)c1[O-] ZINC000765501870 860013447 /nfs/dbraw/zinc/01/34/47/860013447.db2.gz ZBUBPMLZXGHFQF-OYKKKHCWSA-N -1 3 376.456 3.829 20 30 GHEDHM N#CC(CCN1CCC(c2n[n-]c(=N)o2)CC1)(c1ccccc1)c1ccccc1 ZINC000602868465 860327191 /nfs/dbraw/zinc/32/71/91/860327191.db2.gz HXIKQGATTMWHHG-UHFFFAOYSA-N -1 3 387.487 3.562 20 30 GHEDHM CC(C)(C(=O)NCc1ccc([O-])c(Br)c1)c1cc(F)cc(C#N)c1 ZINC000552387432 860520999 /nfs/dbraw/zinc/52/09/99/860520999.db2.gz HYMXJNBRKAUIBA-UHFFFAOYSA-N -1 3 391.240 3.759 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Oc2cc(C)c(Cl)c(C)c2)ccc1F ZINC001125101956 860872903 /nfs/dbraw/zinc/87/29/03/860872903.db2.gz GBNAHDGPADJEDM-UHFFFAOYSA-N -1 3 397.855 3.779 20 30 GHEDHM C#CCOc1ccc([C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000730429679 861110133 /nfs/dbraw/zinc/11/01/33/861110133.db2.gz MCZYGAJMQAYTHB-MRXNPFEDSA-N -1 3 378.428 3.525 20 30 GHEDHM CC(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000733678978 863106966 /nfs/dbraw/zinc/10/69/66/863106966.db2.gz QKUGYFUADXFXCR-ZDUSSCGKSA-N -1 3 378.404 3.740 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920108971 881689522 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GHEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000609030520 865905803 /nfs/dbraw/zinc/90/58/03/865905803.db2.gz UUUJFOPQWLWOLW-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM COc1cc(/C=C/C(=O)c2cnn(C3CCC3)c2)cc(Br)c1[O-] ZINC000899407295 865973866 /nfs/dbraw/zinc/97/38/66/865973866.db2.gz RQNWJTQUSVSQKN-AATRIKPKSA-N -1 3 377.238 3.981 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793123732 881930617 /nfs/dbraw/zinc/93/06/17/881930617.db2.gz JGBCBEIJSAPIJW-HNNXBMFYSA-N -1 3 378.819 3.615 20 30 GHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000620305625 866666275 /nfs/dbraw/zinc/66/62/75/866666275.db2.gz OOPQXMMGQIYKHK-IYBDPMFKSA-N -1 3 397.500 3.662 20 30 GHEDHM Cc1cccc(C)c1OC[C@@H](O)C/N=C\c1cc(Br)ccc1[O-] ZINC000920387920 882079550 /nfs/dbraw/zinc/07/95/50/882079550.db2.gz WIOJOLJKUZUXOC-DMOKECBHSA-N -1 3 378.266 3.630 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](c1cccs1)N1CCOCC1 ZINC000005289266 882158362 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20 30 GHEDHM O=S(=O)(c1cccc(N=Cc2cc(Cl)ccc2[O-])c1)N1CCCCC1 ZINC000920946271 882467065 /nfs/dbraw/zinc/46/70/65/882467065.db2.gz YJXQGVVNZNPAMM-UHFFFAOYSA-N -1 3 378.881 3.971 20 30 GHEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000618822585 872008426 /nfs/dbraw/zinc/00/84/26/872008426.db2.gz GHZIEPRVMGZWRK-INIZCTEOSA-N -1 3 386.249 3.513 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1[O-] ZINC000767336667 872408295 /nfs/dbraw/zinc/40/82/95/872408295.db2.gz GRBOIRXUIZNVMR-BRUSPLQXSA-N -1 3 393.512 3.936 20 30 GHEDHM Cc1cc(Cl)ccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000767360977 872454527 /nfs/dbraw/zinc/45/45/27/872454527.db2.gz MRJPGAVXJGAVBX-MRXNPFEDSA-N -1 3 386.864 3.923 20 30 GHEDHM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1[N+](=O)[O-] ZINC000767733960 872808885 /nfs/dbraw/zinc/80/88/85/872808885.db2.gz HXXKZRJWTRDDTQ-UHFFFAOYSA-N -1 3 386.216 3.883 20 30 GHEDHM COC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)nc1C1CC1 ZINC000448184690 872999364 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GHEDHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000787847109 877665692 /nfs/dbraw/zinc/66/56/92/877665692.db2.gz CQGVZOWSZJZSPV-MRXNPFEDSA-N -1 3 398.434 3.733 20 30 GHEDHM CCOC(=O)c1[n-]cnc1NC(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001183100430 912283039 /nfs/dbraw/zinc/28/30/39/912283039.db2.gz HXKCCRFXARIMNZ-VIFPVBQESA-N -1 3 381.219 3.529 20 30 GHEDHM CCOC(=O)c1nc[n-]c1NC(=O)C[C@@H](C#N)c1c(Cl)cccc1Cl ZINC001183100430 912283045 /nfs/dbraw/zinc/28/30/45/912283045.db2.gz HXKCCRFXARIMNZ-VIFPVBQESA-N -1 3 381.219 3.529 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1[O-] ZINC000788674031 878233326 /nfs/dbraw/zinc/23/33/26/878233326.db2.gz BLASNUKVYAAQTN-IJNKKSNJSA-N -1 3 394.302 3.983 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1cccc(C(F)(F)F)c1 ZINC000537877042 878442291 /nfs/dbraw/zinc/44/22/91/878442291.db2.gz RBINXECOZOCQRA-MRXNPFEDSA-N -1 3 396.390 3.574 20 30 GHEDHM N#CCCN(Cc1ccccn1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000178721965 879199966 /nfs/dbraw/zinc/19/99/66/879199966.db2.gz ZUQVEBBFZLTHPV-UHFFFAOYSA-N -1 3 391.456 3.555 20 30 GHEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000130503501 879455008 /nfs/dbraw/zinc/45/50/08/879455008.db2.gz PIGYDJPCBBNZOB-AWEZNQCLSA-N -1 3 379.247 3.906 20 30 GHEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H](C)C#N)ccc2C)c(C)c1 ZINC000531358434 879696089 /nfs/dbraw/zinc/69/60/89/879696089.db2.gz KQCWWIQVJQUAFW-AWEZNQCLSA-N -1 3 399.516 3.611 20 30 GHEDHM O=C(CCOCC(F)(F)C(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000790806246 879982258 /nfs/dbraw/zinc/98/22/58/879982258.db2.gz BKYFIJFDOOPCAM-UHFFFAOYSA-N -1 3 377.256 3.560 20 30 GHEDHM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000791305280 880315756 /nfs/dbraw/zinc/31/57/56/880315756.db2.gz HMNBICFMPNJMKE-SFHVURJKSA-N -1 3 377.469 3.630 20 30 GHEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C(F)F)cc1)c1nccc2ccccc21 ZINC000792093655 880921726 /nfs/dbraw/zinc/92/17/26/880921726.db2.gz KGEUCNWHIDAUOU-INIZCTEOSA-N -1 3 386.379 3.721 20 30 GHEDHM O=C1COc2c(N=Cc3cc(Br)ccc3[O-])cc(Cl)cc2N1 ZINC000804599257 883118704 /nfs/dbraw/zinc/11/87/04/883118704.db2.gz WNVHIPHHDUJYBP-UHFFFAOYSA-N -1 3 381.613 3.890 20 30 GHEDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000194328670 883770191 /nfs/dbraw/zinc/77/01/91/883770191.db2.gz QUGNLRYSGKMGRI-UHFFFAOYSA-N -1 3 388.489 3.704 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2cccc(Cl)c2)ccc1F ZINC000914521976 884002359 /nfs/dbraw/zinc/00/23/59/884002359.db2.gz LVQWOGJPIDWSGS-UHFFFAOYSA-N -1 3 396.871 3.610 20 30 GHEDHM CN(C)c1ccc2c(c1)NC(=O)C2=N[N-]c1nc(Cl)c(Cl)cc1Cl ZINC000761761124 884089786 /nfs/dbraw/zinc/08/97/86/884089786.db2.gz WNHMTDOKSRRJAN-UHFFFAOYSA-N -1 3 384.654 3.876 20 30 GHEDHM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccccc2CC#N)c1F ZINC000475808630 884091964 /nfs/dbraw/zinc/09/19/64/884091964.db2.gz NNDHUWHBHZCZIE-UHFFFAOYSA-N -1 3 383.242 3.764 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Br)c1C ZINC000170710675 884524464 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GHEDHM Cc1cc(C(=O)OC(C)(C)C)cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000459302419 887197403 /nfs/dbraw/zinc/19/74/03/887197403.db2.gz DJGSCGWOBJAVMK-KRWDZBQOSA-N -1 3 394.475 3.758 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)c(OC)cc1[O-] ZINC000763104212 887665533 /nfs/dbraw/zinc/66/55/33/887665533.db2.gz JKCKIEMNVSNRAJ-ARJAWSKDSA-N -1 3 376.792 3.730 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000120065862 887776934 /nfs/dbraw/zinc/77/69/34/887776934.db2.gz VXHUTDLSSAXQMG-ZDUSSCGKSA-N -1 3 380.297 3.814 20 30 GHEDHM Cc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 ZINC000763211428 888305362 /nfs/dbraw/zinc/30/53/62/888305362.db2.gz SKDCCNDXVIICNU-GFCCVEGCSA-N -1 3 388.518 3.614 20 30 GHEDHM Fc1cccc2[nH]cc(C=Nn3c(=S)[n-]nc3[C@H]3COc4ccccc4O3)c21 ZINC000763344918 888528700 /nfs/dbraw/zinc/52/87/00/888528700.db2.gz GVZTVQRRYLQLND-MRXNPFEDSA-N -1 3 395.419 3.582 20 30 GHEDHM C=CCOc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000916320540 888921896 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CCOc1cc(/C=C\C(=O)c2cccc(NS(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000729820286 892254656 /nfs/dbraw/zinc/25/46/56/892254656.db2.gz LAAIFROTDFIQAJ-FPLPWBNLSA-N -1 3 395.864 3.712 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC(=O)OC)c1ccc(OC(F)(F)F)cc1 ZINC000815051699 893368608 /nfs/dbraw/zinc/36/86/08/893368608.db2.gz YAMUJTQGYKAPAC-GFCCVEGCSA-N -1 3 381.297 3.517 20 30 GHEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000816695563 895025401 /nfs/dbraw/zinc/02/54/01/895025401.db2.gz FVDIIXZODPDABD-QGZVFWFLSA-N -1 3 396.468 3.586 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000816758870 895052729 /nfs/dbraw/zinc/05/27/29/895052729.db2.gz ZHBSHYIJCSEPOI-MRXNPFEDSA-N -1 3 393.468 3.587 20 30 GHEDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC001185613699 913991385 /nfs/dbraw/zinc/99/13/85/913991385.db2.gz FIFMNPGRVIQWKO-HZMBPMFUSA-N -1 3 395.278 3.516 20 30 GHEDHM N#CCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)Cc1ccccn1 ZINC000822811341 898648130 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O=C(C=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1ccncc1 ZINC000826401138 899731285 /nfs/dbraw/zinc/73/12/85/899731285.db2.gz QKZYKSYXBPHCJD-BQYQJAHWSA-N -1 3 383.411 3.737 20 30 GHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1ccncc1 ZINC000826401138 899731292 /nfs/dbraw/zinc/73/12/92/899731292.db2.gz QKZYKSYXBPHCJD-BQYQJAHWSA-N -1 3 383.411 3.737 20 30 GHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400941 899760832 /nfs/dbraw/zinc/76/08/32/899760832.db2.gz LOIRSOFBDKCTPF-ORCRQEGFSA-N -1 3 378.285 3.642 20 30 GHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400941 899760837 /nfs/dbraw/zinc/76/08/37/899760837.db2.gz LOIRSOFBDKCTPF-ORCRQEGFSA-N -1 3 378.285 3.642 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C2CCCCC2)[nH]n1 ZINC000136629623 900733717 /nfs/dbraw/zinc/73/37/17/900733717.db2.gz MQNYZPOQOFCJEP-HNNXBMFYSA-N -1 3 380.448 3.817 20 30 GHEDHM CSc1ccc(Cl)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000064848498 900966985 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CC(C)(C)OC(=O)c1c([N-]C(=O)C#Cc2cccnc2)onc1-c1ccccc1 ZINC001177773709 908730518 /nfs/dbraw/zinc/73/05/18/908730518.db2.gz HJTUBEKCWXVAAT-UHFFFAOYSA-N -1 3 389.411 3.682 20 30 GHEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c(F)c1 ZINC000773981153 911195270 /nfs/dbraw/zinc/19/52/70/911195270.db2.gz XFDDVHUMISFIJP-QGZVFWFLSA-N -1 3 390.370 3.727 20 30 GHEDHM C[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001182520899 911850323 /nfs/dbraw/zinc/85/03/23/911850323.db2.gz VAPRMDWXYSKSOW-QLFBSQMISA-N -1 3 387.480 3.874 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(Cn2cnc3ccccc32)cc1 ZINC001189147720 916431613 /nfs/dbraw/zinc/43/16/13/916431613.db2.gz FCBXUSFLKNJDDH-UHFFFAOYSA-N -1 3 385.427 3.524 20 30 GHEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1S(=O)(=O)N1CCCC1 ZINC000775232601 916519957 /nfs/dbraw/zinc/51/99/57/916519957.db2.gz LXRUFIGUPAZZIJ-UHFFFAOYSA-N -1 3 394.880 3.589 20 30 GHEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189272514 916529617 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GHEDHM O=C(c1cc(N2CCNC2=O)ccc1F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379116 921056995 /nfs/dbraw/zinc/05/69/95/921056995.db2.gz WCJVFDDOBJCGLC-UHFFFAOYSA-N -1 3 398.221 3.694 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000410384069 925591185 /nfs/dbraw/zinc/59/11/85/925591185.db2.gz UGRVBXVSKRRDNG-LAJNKCICSA-N -1 3 383.879 3.913 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)C[C@H](C)C2 ZINC000411008895 925992564 /nfs/dbraw/zinc/99/25/64/925992564.db2.gz IXIITDFTSPREAL-UWVGGRQHSA-N -1 3 396.472 3.706 20 30 GHEDHM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCCO2)c1cnc2ccccc2n1 ZINC000682994679 926321991 /nfs/dbraw/zinc/32/19/91/926321991.db2.gz KHMGRSAROQJGQP-CYBMUJFWSA-N -1 3 379.803 3.935 20 30 GHEDHM COc1cc(C=NOCc2ccc(F)cc2Br)c([N+](=O)[O-])cc1[O-] ZINC000780287967 927655641 /nfs/dbraw/zinc/65/56/41/927655641.db2.gz RDHCUPUFNYPZHC-UHFFFAOYSA-N -1 3 399.172 3.761 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc(Cl)c2)C1=O ZINC000757361074 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30 GHEDHM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000783353274 931524923 /nfs/dbraw/zinc/52/49/23/931524923.db2.gz TZENMRUTSNSOFM-CQSZACIVSA-N -1 3 396.809 3.934 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000797569020 932330275 /nfs/dbraw/zinc/33/02/75/932330275.db2.gz ZTSFWDYMQXUSKJ-HNNXBMFYSA-N -1 3 382.489 3.839 20 30 GHEDHM CC(C)(CCC#N)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000798878138 932804042 /nfs/dbraw/zinc/80/40/42/932804042.db2.gz DYDKDUFWJFFMSO-UHFFFAOYSA-N -1 3 392.399 3.564 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Oc3ccccc3)cn2)cc1 ZINC000799603168 933060099 /nfs/dbraw/zinc/06/00/99/933060099.db2.gz DPBZCYWAGQWHKW-LJQANCHMSA-N -1 3 387.395 3.844 20 30 GHEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cc(F)ccc1OC ZINC000928785437 933104430 /nfs/dbraw/zinc/10/44/30/933104430.db2.gz XZVQDFJDSWFPKI-SFHVURJKSA-N -1 3 385.439 3.624 20 30 GHEDHM COC[C@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccs1 ZINC001115823606 933212846 /nfs/dbraw/zinc/21/28/46/933212846.db2.gz KQMHTGNXUUGCSC-LBPRGKRZSA-N -1 3 389.502 3.507 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1nccc2ccccc12 ZINC001116118483 933344002 /nfs/dbraw/zinc/34/40/02/933344002.db2.gz KFBIRZICDHOQEE-UHFFFAOYSA-N -1 3 376.441 3.589 20 30 GHEDHM CC(C)n1cc(Br)cc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001122405978 934862832 /nfs/dbraw/zinc/86/28/32/934862832.db2.gz BGGGGINNHHUBNR-ZDUSSCGKSA-N -1 3 398.264 3.847 20 30 GHEDHM N#CC(=C([O-])c1ccc(OCc2cccnc2)cc1)c1nc(N)c2ccccc2n1 ZINC001122496355 934883071 /nfs/dbraw/zinc/88/30/71/934883071.db2.gz HMCBOSYUKDMSBE-LJQANCHMSA-N -1 3 395.422 3.676 20 30 GHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nccn1Cc1ccccc1 ZINC001122625678 934924995 /nfs/dbraw/zinc/92/49/95/934924995.db2.gz VBCXWHFIKUHCEO-SFHVURJKSA-N -1 3 385.402 3.951 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001573294356 946985516 /nfs/dbraw/zinc/98/55/16/946985516.db2.gz CZNVXAMCDCCHNC-QGZVFWFLSA-N -1 3 392.511 3.574 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001573294356 946985531 /nfs/dbraw/zinc/98/55/31/946985531.db2.gz CZNVXAMCDCCHNC-QGZVFWFLSA-N -1 3 392.511 3.574 20 30 GHEDHM C=C[C@H](OC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001573316029 947266146 /nfs/dbraw/zinc/26/61/46/947266146.db2.gz RWZGSTFHFKXUID-INIZCTEOSA-N -1 3 395.488 3.750 20 30 GHEDHM C=C[C@H](OC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001573316029 947266159 /nfs/dbraw/zinc/26/61/59/947266159.db2.gz RWZGSTFHFKXUID-INIZCTEOSA-N -1 3 395.488 3.750 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001573330118 947430455 /nfs/dbraw/zinc/43/04/55/947430455.db2.gz UPWYYDMRLXCMFY-LPHOPBHVSA-N -1 3 383.496 3.667 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001573330118 947430462 /nfs/dbraw/zinc/43/04/62/947430462.db2.gz UPWYYDMRLXCMFY-LPHOPBHVSA-N -1 3 383.496 3.667 20 30 GHEDHM C=CCC[C@@H](O)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC001573334607 947459013 /nfs/dbraw/zinc/45/90/13/947459013.db2.gz PGGFFKOWTLLOHV-LJQANCHMSA-N -1 3 381.455 3.648 20 30 GHEDHM C=CCC[C@@H](O)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC001573334607 947459021 /nfs/dbraw/zinc/45/90/21/947459021.db2.gz PGGFFKOWTLLOHV-LJQANCHMSA-N -1 3 381.455 3.648 20 30 GHEDHM C=CCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C ZINC001573341301 947530361 /nfs/dbraw/zinc/53/03/61/947530361.db2.gz LBTGNBSHYLKWNJ-UHFFFAOYSA-N -1 3 391.475 3.872 20 30 GHEDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001575868843 949466345 /nfs/dbraw/zinc/46/63/45/949466345.db2.gz PHDBGRMSZUEHFN-SVRRBLITSA-N -1 3 383.271 3.802 20 30 GHEDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001575868843 949466362 /nfs/dbraw/zinc/46/63/62/949466362.db2.gz PHDBGRMSZUEHFN-SVRRBLITSA-N -1 3 383.271 3.802 20 30 GHEDHM COc1ccc([C@H](NCc2ccc(-c3ccccc3C#N)cc2)C(=O)[O-])cc1O ZINC001599532800 997688716 /nfs/dbraw/zinc/68/87/16/997688716.db2.gz SNHUQVPUDBDESE-QFIPXVFZSA-N -1 3 388.423 3.855 20 30 GHEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1C#N ZINC001599558985 998152306 /nfs/dbraw/zinc/15/23/06/998152306.db2.gz QJDXHNDAHHRMAK-QGZVFWFLSA-N -1 3 389.249 3.587 20 30 GHEDHM COc1cc(O[C@@H]2CC[C@@H](C#N)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227396753 1032403904 /nfs/dbraw/zinc/40/39/04/1032403904.db2.gz YHQAZSUDKSJOBQ-CHWSQXEVSA-N -1 3 377.396 3.556 20 30 GHEDHM N#Cc1ccnc(N2CCC(Oc3c([O-])cc(Br)cc3F)CC2)c1 ZINC001227590510 1032475808 /nfs/dbraw/zinc/47/58/08/1032475808.db2.gz IPEQZUNCHBIFJN-UHFFFAOYSA-N -1 3 392.228 3.608 20 30 GHEDHM COc1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)ncn1 ZINC000932308000 1018182695 /nfs/dbraw/zinc/18/26/95/1018182695.db2.gz HDOYLVWQLDWMRZ-UHFFFAOYSA-N -1 3 382.367 3.762 20 30 GHEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1C(C)C ZINC000159764976 1020355097 /nfs/dbraw/zinc/35/50/97/1020355097.db2.gz OGOMGYKNLACWQZ-GOSISDBHSA-N -1 3 387.443 3.660 20 30 GHEDHM CC(C)=CCSC[C@@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900039391 1021297915 /nfs/dbraw/zinc/29/79/15/1021297915.db2.gz XVAUANUCLNATTH-OAHLLOKOSA-N -1 3 383.311 3.563 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C[C@@]2(C)CC2(Cl)Cl)no1 ZINC000834871091 1021581375 /nfs/dbraw/zinc/58/13/75/1021581375.db2.gz LPTNMTNWFMHPIJ-INIZCTEOSA-N -1 3 381.263 3.570 20 30 GHEDHM Cn1ccc2cc(C(=O)NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ccc21 ZINC001149234567 1022020026 /nfs/dbraw/zinc/02/00/26/1022020026.db2.gz FXKMRNQBUYIIAQ-UHFFFAOYSA-N -1 3 377.322 3.643 20 30 GHEDHM CCOc1cc(C=Nn2cnnc2-c2ccccc2)cc(Br)c1[O-] ZINC000725856171 1022389613 /nfs/dbraw/zinc/38/96/13/1022389613.db2.gz NDFCWQLCWULOMJ-UHFFFAOYSA-N -1 3 387.237 3.694 20 30 GHEDHM COC(=O)c1cc(OC)ccc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163768929 1026310597 /nfs/dbraw/zinc/31/05/97/1026310597.db2.gz GVRNONFXKSOYLD-UHFFFAOYSA-N -1 3 384.310 3.628 20 30 GHEDHM COC(=O)c1cccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1OC ZINC001163769415 1026310847 /nfs/dbraw/zinc/31/08/47/1026310847.db2.gz ZUGSNPUJYVBSOV-UHFFFAOYSA-N -1 3 384.310 3.628 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1cc(Br)ccc1[O-])CCO2 ZINC001203643051 1027499338 /nfs/dbraw/zinc/49/93/38/1027499338.db2.gz QWPYWZJHBNQEFP-VQIMIIECSA-N -1 3 396.325 3.728 20 30 GHEDHM COC(=O)c1c(F)cc(Br)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001210534712 1027547546 /nfs/dbraw/zinc/54/75/46/1027547546.db2.gz PIQPBPHEPKIODK-UHFFFAOYSA-N -1 3 383.148 3.835 20 30 GHEDHM CC(C)(C)O[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000840709091 1027748328 /nfs/dbraw/zinc/74/83/28/1027748328.db2.gz HMMRENWXDNYHLE-BQHRWFSQSA-N -1 3 392.297 3.967 20 30 GHEDHM COCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1cccc(C(F)(F)F)c1 ZINC000840708881 1027749715 /nfs/dbraw/zinc/74/97/15/1027749715.db2.gz JLJNEUSIPDSHEH-VVGLJFDHSA-N -1 3 382.382 3.803 20 30 GHEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000840711215 1027750304 /nfs/dbraw/zinc/75/03/04/1027750304.db2.gz XFBXNNWUAHAXBD-HLJPPGQASA-N -1 3 387.277 3.940 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000179981998 1028844981 /nfs/dbraw/zinc/84/49/81/1028844981.db2.gz WQMCXXVKYOHINZ-AWEZNQCLSA-N -1 3 378.215 3.748 20 30 GHEDHM N#Cc1ccc2c(c1)CCN(C(=O)c1c[n-]c3ccc(C(F)(F)F)cc3c1=O)C2 ZINC001150463427 1030534558 /nfs/dbraw/zinc/53/45/58/1030534558.db2.gz FUAWSOGSCIESRB-UHFFFAOYSA-N -1 3 397.356 3.617 20 30 GHEDHM Cc1ccnc(N2CCC(O/C(=N\[O-])c3ccccc3Br)CC2)c1 ZINC001223885935 1030789355 /nfs/dbraw/zinc/78/93/55/1030789355.db2.gz RXTNHCASSATCCC-UZYVYHOESA-N -1 3 390.281 3.974 20 30 GHEDHM N#Cc1cc(NC(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)ccc1[O-] ZINC001152445047 1031244647 /nfs/dbraw/zinc/24/46/47/1031244647.db2.gz WNGHCYXTOTUYNU-UHFFFAOYSA-N -1 3 380.713 3.836 20 30 GHEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC001154120628 1031936985 /nfs/dbraw/zinc/93/69/85/1031936985.db2.gz PAFDCCDLHRUHJO-AWEZNQCLSA-N -1 3 378.428 3.593 20 30 GHEDHM CCN1CCC[C@@H](Oc2cc(/C=C3\Oc4cc([O-])ccc4C3=O)ccc2O)C1 ZINC001229211489 1033347510 /nfs/dbraw/zinc/34/75/10/1033347510.db2.gz BZUBGTCUCYQDFE-NBZOHKLQSA-N -1 3 381.428 3.577 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(c3ccc(N)cc3)CC2)n1 ZINC001157698282 1033729515 /nfs/dbraw/zinc/72/95/15/1033729515.db2.gz DYVIMQFGVCZTRU-KEBDBYFISA-N -1 3 377.901 3.626 20 30 GHEDHM CC1(C)OC[C@H]2OC=C[C@@H](Oc3ccccc3/C=N/c3ccccc3[O-])[C@@H]2O1 ZINC001229937666 1033800788 /nfs/dbraw/zinc/80/07/88/1033800788.db2.gz PAFRBFUOQUKTMF-QLBNTZKZSA-N -1 3 381.428 3.954 20 30 GHEDHM O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N([O-])Cc1ccc(F)cc1 ZINC001161842325 1035313658 /nfs/dbraw/zinc/31/36/58/1035313658.db2.gz BCGWVKNADCSVDF-AWEZNQCLSA-N -1 3 397.233 3.903 20 30 GHEDHM CCOc1nccc(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)c1Cl ZINC001245843249 1037024792 /nfs/dbraw/zinc/02/47/92/1037024792.db2.gz KJTBWDTWVJFZGQ-UFFVCSGVSA-N -1 3 376.844 3.988 20 30 GHEDHM N#Cc1ccc(NC(=O)NC2CCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC001232789767 1038556478 /nfs/dbraw/zinc/55/64/78/1038556478.db2.gz RTIHXRDAPOPUKD-UHFFFAOYSA-N -1 3 384.867 3.703 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001233807869 1039632178 /nfs/dbraw/zinc/63/21/78/1039632178.db2.gz ZIFCSFOSYMUNKW-OFPSMEBESA-N -1 3 376.453 3.528 20 30 GHEDHM CC(C)CCOC(=O)[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234510460 1040087709 /nfs/dbraw/zinc/08/77/09/1040087709.db2.gz ASYBIFOOHQCMFG-LJQANCHMSA-N -1 3 391.427 3.916 20 30 GHEDHM N#CCCCN1CC[C@@]2(CCCN2Cc2c([O-])ccc(Cl)c2Cl)C1=O ZINC001277992196 1041798660 /nfs/dbraw/zinc/79/86/60/1041798660.db2.gz FAAHMUOBSIEKMB-SFHVURJKSA-N -1 3 382.291 3.570 20 30 GHEDHM N#Cc1cccc(N2C[C@@]3(CCN(Cc4cc(F)cc(Cl)c4[O-])C3)CC2=O)c1 ZINC001237813142 1042382186 /nfs/dbraw/zinc/38/21/86/1042382186.db2.gz KUNBOPOQMUPDLK-NRFANRHFSA-N -1 3 399.853 3.685 20 30 GHEDHM C[C@](C#N)([N-]S(=O)(=O)c1ccc(OC(F)F)cc1)c1ccccc1Cl ZINC001259435771 1045153290 /nfs/dbraw/zinc/15/32/90/1045153290.db2.gz QENQVAAIGOZZDW-MRXNPFEDSA-N -1 3 386.807 3.659 20 30 GHEDHM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2Br)c1 ZINC001259637654 1045251760 /nfs/dbraw/zinc/25/17/60/1045251760.db2.gz KTTJVKYBQJXYIJ-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)cc1 ZINC001260043645 1045369539 /nfs/dbraw/zinc/36/95/39/1045369539.db2.gz AFAPQWWTPXTWGD-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001263347008 1046729984 /nfs/dbraw/zinc/72/99/84/1046729984.db2.gz CEVWCUBPJNGDPA-TXEJJXNPSA-N -1 3 389.431 3.538 20 30 GHEDHM C=CCN(Cc1cccs1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC(C)C ZINC001263420114 1046804761 /nfs/dbraw/zinc/80/47/61/1046804761.db2.gz ZZLYUZLCICGEML-UHFFFAOYSA-N -1 3 384.509 3.659 20 30 GHEDHM CCOC(=O)N1[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CC[C@H]1c1ccc(C)o1 ZINC001306899743 1048951661 /nfs/dbraw/zinc/95/16/61/1048951661.db2.gz AISGKTYKOMNINW-IRXDYDNUSA-N -1 3 390.411 3.807 20 30 GHEDHM COc1cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)ccc1C#N ZINC001328043059 1050370017 /nfs/dbraw/zinc/37/00/17/1050370017.db2.gz MYYCWZFFNSJWFK-JTQLQIEISA-N -1 3 383.429 3.812 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001342522563 1053215370 /nfs/dbraw/zinc/21/53/70/1053215370.db2.gz MCLPGTORCIMGNX-ZDUSSCGKSA-N -1 3 382.443 3.662 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1-c1ccccn1 ZINC001343354441 1053722471 /nfs/dbraw/zinc/72/24/71/1053722471.db2.gz KQMOKGVUDMMQGA-QGZVFWFLSA-N -1 3 395.422 3.773 20 30 GHEDHM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001344572433 1054573072 /nfs/dbraw/zinc/57/30/72/1054573072.db2.gz WCHDDIREIONCRE-GOSISDBHSA-N -1 3 399.878 3.558 20 30 GHEDHM COc1ccc2c(c1)c(C(=O)N[C@@H]1CCCN([O-])C1=O)c(C)n2C1CCCCC1 ZINC000848137148 1056741145 /nfs/dbraw/zinc/74/11/45/1056741145.db2.gz ZNCWBAOGLXPVSH-GOSISDBHSA-N -1 3 399.491 3.574 20 30 GHEDHM Cn1ccnc1C(C#N)=C([O-])c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001356577293 1057554770 /nfs/dbraw/zinc/55/47/70/1057554770.db2.gz DYKXZNLYFPERCH-INIZCTEOSA-N -1 3 377.423 3.639 20 30 GHEDHM C[C@H]1CCc2nc([N-]C(=O)c3nscc3Br)c(C#N)cc2C1 ZINC001338375529 1058535700 /nfs/dbraw/zinc/53/57/00/1058535700.db2.gz DZHCDUGSPOOVML-QMMMGPOBSA-N -1 3 377.267 3.549 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@H](CC#N)C1 ZINC001339118652 1058968044 /nfs/dbraw/zinc/96/80/44/1058968044.db2.gz QSOTXEVIMXQIKN-OAHLLOKOSA-N -1 3 385.899 3.738 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001341738737 1060851768 /nfs/dbraw/zinc/85/17/68/1060851768.db2.gz DCKFTOFINMRGBQ-YWZLYKJASA-N -1 3 390.491 3.913 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1cccs1)C(C)C ZINC001341839856 1060917479 /nfs/dbraw/zinc/91/74/79/1060917479.db2.gz PDCRLTQWZUTMSS-UHFFFAOYSA-N -1 3 384.509 3.802 20 30 GHEDHM CCc1c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cnn1CC(C)C ZINC001342166352 1061100592 /nfs/dbraw/zinc/10/05/92/1061100592.db2.gz OVCSMDNICRNWLE-GOSISDBHSA-N -1 3 375.476 3.836 20 30 GHEDHM N#Cc1c([N-]C(=O)c2nnn(-c3ccccc3)c2C(F)F)sc2c1CCC2 ZINC001348102586 1062919881 /nfs/dbraw/zinc/91/98/81/1062919881.db2.gz UCMHZFBTYYYMBB-UHFFFAOYSA-N -1 3 385.399 3.879 20 30 GHEDHM O=C(Cc1ccccc1O[C@H]1CCOC1)N([O-])Cc1cccc2ccccc21 ZINC001458020181 1063508851 /nfs/dbraw/zinc/50/88/51/1063508851.db2.gz ZIMHLYOEWLIHQN-FQEVSTJZSA-N -1 3 377.440 3.968 20 30 GHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001463572884 1064471073 /nfs/dbraw/zinc/47/10/73/1064471073.db2.gz IBINXLNEWXRPIL-UHFFFAOYSA-N -1 3 392.908 3.750 20 30 GHEDHM C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001466449370 1066159580 /nfs/dbraw/zinc/15/95/80/1066159580.db2.gz PCNBVZSIABNQQS-IMTBSYHQSA-N -1 3 399.270 3.626 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)s1 ZINC001466979253 1066425554 /nfs/dbraw/zinc/42/55/54/1066425554.db2.gz QUGFBOSJLKZIRG-HXUWFJFHSA-N -1 3 398.488 3.671 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CSCc3ccc(Br)cc32)c1[O-] ZINC000849171764 1067751243 /nfs/dbraw/zinc/75/12/43/1067751243.db2.gz FSMTVLWIJBFOHE-SMJFESNISA-N -1 3 393.306 3.757 20 30 GHEDHM Cc1cccc2c1[n-]cc(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c2=O ZINC001472552554 1073548649 /nfs/dbraw/zinc/54/86/49/1073548649.db2.gz KUGHNVPURBXKHM-UHFFFAOYSA-N -1 3 387.317 3.859 20 30 GHEDHM C#C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(Br)cc1 ZINC001474547284 1074458148 /nfs/dbraw/zinc/45/81/48/1074458148.db2.gz YAMVFDAYAILUPI-CQSZACIVSA-N -1 3 391.221 3.536 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737721646 598979516 /nfs/dbraw/zinc/97/95/16/598979516.db2.gz NLOPKKJVXMCGJM-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737721646 598979518 /nfs/dbraw/zinc/97/95/18/598979518.db2.gz NLOPKKJVXMCGJM-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(SC)cc1OC ZINC000737040954 599033388 /nfs/dbraw/zinc/03/33/88/599033388.db2.gz GXCFXBQMFPUFOG-HJWRWDBZSA-N -1 3 382.445 3.502 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(SC)cc1OC ZINC000737040954 599033390 /nfs/dbraw/zinc/03/33/90/599033390.db2.gz GXCFXBQMFPUFOG-HJWRWDBZSA-N -1 3 382.445 3.502 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(Br)ccc1F ZINC000823504398 599115164 /nfs/dbraw/zinc/11/51/64/599115164.db2.gz PWOFCSWUDOPGBJ-FLIBITNWSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(Br)ccc1F ZINC000823504398 599115166 /nfs/dbraw/zinc/11/51/66/599115166.db2.gz PWOFCSWUDOPGBJ-FLIBITNWSA-N -1 3 399.223 3.981 20 30 GHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)oc21 ZINC000736656523 599153008 /nfs/dbraw/zinc/15/30/08/599153008.db2.gz ZXKYIANABCPZDU-VQHVLOKHSA-N -1 3 390.399 3.916 20 30 GHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)oc21 ZINC000736656523 599153010 /nfs/dbraw/zinc/15/30/10/599153010.db2.gz ZXKYIANABCPZDU-VQHVLOKHSA-N -1 3 390.399 3.916 20 30 GHEDHM COc1ccc(C=C2CCOc3ccc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737082151 599155603 /nfs/dbraw/zinc/15/56/03/599155603.db2.gz IIXZLRBDLWSVSS-WQLSENKSSA-N -1 3 382.807 3.578 20 30 GHEDHM COc1ccc(C=C2CCOc3ccc(Cl)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737082151 599155605 /nfs/dbraw/zinc/15/56/05/599155605.db2.gz IIXZLRBDLWSVSS-WQLSENKSSA-N -1 3 382.807 3.578 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C)c(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737331264 599158629 /nfs/dbraw/zinc/15/86/29/599158629.db2.gz XNZMHFAKXNHCQG-BJMVGYQFSA-N -1 3 388.406 3.704 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1-c1nnn[n-]1 ZINC000737719024 599196506 /nfs/dbraw/zinc/19/65/06/599196506.db2.gz REZLXIMEZVBOQV-UHFFFAOYSA-N -1 3 378.461 3.640 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1-c1nn[n-]n1 ZINC000737719024 599196508 /nfs/dbraw/zinc/19/65/08/599196508.db2.gz REZLXIMEZVBOQV-UHFFFAOYSA-N -1 3 378.461 3.640 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1-c1nnn[n-]1 ZINC000737719973 599194438 /nfs/dbraw/zinc/19/44/38/599194438.db2.gz XHIXPCZLMZUPGB-UHFFFAOYSA-N -1 3 378.395 3.562 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1-c1nn[n-]n1 ZINC000737719973 599194441 /nfs/dbraw/zinc/19/44/41/599194441.db2.gz XHIXPCZLMZUPGB-UHFFFAOYSA-N -1 3 378.395 3.562 20 30 GHEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000819693484 599256477 /nfs/dbraw/zinc/25/64/77/599256477.db2.gz SJJJNQIJKMZROH-UHFFFAOYSA-N -1 3 396.838 3.847 20 30 GHEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000819693484 599256479 /nfs/dbraw/zinc/25/64/79/599256479.db2.gz SJJJNQIJKMZROH-UHFFFAOYSA-N -1 3 396.838 3.847 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203217 598378628 /nfs/dbraw/zinc/37/86/28/598378628.db2.gz SNTHIPVQVKCBFZ-BQYQJAHWSA-N -1 3 387.365 3.838 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203217 598378630 /nfs/dbraw/zinc/37/86/30/598378630.db2.gz SNTHIPVQVKCBFZ-BQYQJAHWSA-N -1 3 387.365 3.838 20 30 GHEDHM Fc1cc(Br)cc2c1CCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000737645299 598512708 /nfs/dbraw/zinc/51/27/08/598512708.db2.gz WKEUUQRZYSJGNL-UHFFFAOYSA-N -1 3 387.216 3.531 20 30 GHEDHM Fc1cc(Br)cc2c1CCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000737645299 598512711 /nfs/dbraw/zinc/51/27/11/598512711.db2.gz WKEUUQRZYSJGNL-UHFFFAOYSA-N -1 3 387.216 3.531 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000735418698 598533843 /nfs/dbraw/zinc/53/38/43/598533843.db2.gz IPZCTFMFMBJNNW-IEBWSBKVSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000735418698 598533845 /nfs/dbraw/zinc/53/38/45/598533845.db2.gz IPZCTFMFMBJNNW-IEBWSBKVSA-N -1 3 382.512 3.923 20 30 GHEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735647986 598535570 /nfs/dbraw/zinc/53/55/70/598535570.db2.gz JGETTYBGXHFBEA-QTJNJRLBSA-N -1 3 386.459 3.558 20 30 GHEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735647986 598535572 /nfs/dbraw/zinc/53/55/72/598535572.db2.gz JGETTYBGXHFBEA-QTJNJRLBSA-N -1 3 386.459 3.558 20 30 GHEDHM C(=Nn1cnc2ccccc21)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735399052 598545668 /nfs/dbraw/zinc/54/56/68/598545668.db2.gz HZBZXUFDKMEDJS-UHFFFAOYSA-N -1 3 395.426 3.678 20 30 GHEDHM C(=Nn1cnc2ccccc21)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735399052 598545670 /nfs/dbraw/zinc/54/56/70/598545670.db2.gz HZBZXUFDKMEDJS-UHFFFAOYSA-N -1 3 395.426 3.678 20 30 GHEDHM C=CCSCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735436170 598564718 /nfs/dbraw/zinc/56/47/18/598564718.db2.gz HATCRNYTFOQZSL-UHFFFAOYSA-N -1 3 396.476 3.700 20 30 GHEDHM C=CCSCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735436170 598564719 /nfs/dbraw/zinc/56/47/19/598564719.db2.gz HATCRNYTFOQZSL-UHFFFAOYSA-N -1 3 396.476 3.700 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735391468 598591238 /nfs/dbraw/zinc/59/12/38/598591238.db2.gz TVAMJAWZQCCFLR-UHFFFAOYSA-N -1 3 385.452 3.757 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735391468 598591239 /nfs/dbraw/zinc/59/12/39/598591239.db2.gz TVAMJAWZQCCFLR-UHFFFAOYSA-N -1 3 385.452 3.757 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CC(C)(C)O3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204300 598641051 /nfs/dbraw/zinc/64/10/51/598641051.db2.gz ZBGRMLOWIGNDSR-SOFGYWHQSA-N -1 3 389.459 3.532 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CC(C)(C)O3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204300 598641053 /nfs/dbraw/zinc/64/10/53/598641053.db2.gz ZBGRMLOWIGNDSR-SOFGYWHQSA-N -1 3 389.459 3.532 20 30 GHEDHM Cc1c(C(=O)C=Cc2cscc2Cl)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822015969 607368387 /nfs/dbraw/zinc/36/83/87/607368387.db2.gz RIWXKMDYILJSRG-DAXSKMNVSA-N -1 3 396.863 3.972 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000819773965 599339485 /nfs/dbraw/zinc/33/94/85/599339485.db2.gz YTHPDEJNMFKHBX-UHFFFAOYSA-N -1 3 388.353 3.752 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000819773965 599339488 /nfs/dbraw/zinc/33/94/88/599339488.db2.gz YTHPDEJNMFKHBX-UHFFFAOYSA-N -1 3 388.353 3.752 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000819742953 599629869 /nfs/dbraw/zinc/62/98/69/599629869.db2.gz CGUXKWAHDJAKOD-VDGAXYAQSA-N -1 3 397.523 3.755 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 ZINC000819742953 599629870 /nfs/dbraw/zinc/62/98/70/599629870.db2.gz CGUXKWAHDJAKOD-VDGAXYAQSA-N -1 3 397.523 3.755 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000819743209 599629922 /nfs/dbraw/zinc/62/99/22/599629922.db2.gz FRCDSROCPSLQRK-HSZRJFAPSA-N -1 3 387.487 3.577 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000819743209 599629923 /nfs/dbraw/zinc/62/99/23/599629923.db2.gz FRCDSROCPSLQRK-HSZRJFAPSA-N -1 3 387.487 3.577 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3ccncc3)cc2)cc1-c1nnn[n-]1 ZINC000821786871 599691751 /nfs/dbraw/zinc/69/17/51/599691751.db2.gz KQLLLGWVDXFGLW-WAPJZHGLSA-N -1 3 383.411 3.833 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3ccncc3)cc2)cc1-c1nn[n-]n1 ZINC000821786871 599691752 /nfs/dbraw/zinc/69/17/52/599691752.db2.gz KQLLLGWVDXFGLW-WAPJZHGLSA-N -1 3 383.411 3.833 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832877759 601206431 /nfs/dbraw/zinc/20/64/31/601206431.db2.gz XTIOPDGUTQAXNM-XMSQKQJNSA-N -1 3 393.487 3.602 20 30 GHEDHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccnc(C#N)c1 ZINC000826268911 607519882 /nfs/dbraw/zinc/51/98/82/607519882.db2.gz SPABDXIGGBDCPW-UHFFFAOYSA-N -1 3 399.433 3.788 20 30 GHEDHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccnc(C#N)c1 ZINC000826268911 607519883 /nfs/dbraw/zinc/51/98/83/607519883.db2.gz SPABDXIGGBDCPW-UHFFFAOYSA-N -1 3 399.433 3.788 20 30 GHEDHM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000740303405 602670129 /nfs/dbraw/zinc/67/01/29/602670129.db2.gz JHZZSKCIYMFYSI-DLBZAZTESA-N -1 3 399.834 3.776 20 30 GHEDHM C=C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000833370857 604779802 /nfs/dbraw/zinc/77/98/02/604779802.db2.gz IBEJGVXZPOTKHR-HYBUGGRVSA-N -1 3 392.499 3.582 20 30 GHEDHM C=C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000833370853 604780227 /nfs/dbraw/zinc/78/02/27/604780227.db2.gz IBEJGVXZPOTKHR-GBXCKJPGSA-N -1 3 392.499 3.582 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc(F)c(C)c1 ZINC000819743835 606587709 /nfs/dbraw/zinc/58/77/09/606587709.db2.gz QSYWFLCTVIUWLJ-HNNXBMFYSA-N -1 3 394.454 3.773 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc(F)c(C)c1 ZINC000819743835 606587710 /nfs/dbraw/zinc/58/77/10/606587710.db2.gz QSYWFLCTVIUWLJ-HNNXBMFYSA-N -1 3 394.454 3.773 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000819744058 606601450 /nfs/dbraw/zinc/60/14/50/606601450.db2.gz UVZBATNRVBMWII-INIZCTEOSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000819744058 606601452 /nfs/dbraw/zinc/60/14/52/606601452.db2.gz UVZBATNRVBMWII-INIZCTEOSA-N -1 3 391.475 3.584 20 30 GHEDHM CC[C@@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000820842611 606614318 /nfs/dbraw/zinc/61/43/18/606614318.db2.gz OHXBYBIYPXONGC-LBPRGKRZSA-N -1 3 383.795 3.771 20 30 GHEDHM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1cccs1 ZINC000819765832 607169177 /nfs/dbraw/zinc/16/91/77/607169177.db2.gz SIPMMCDUHQZBCU-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C=CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1cccs1 ZINC000819765832 607169178 /nfs/dbraw/zinc/16/91/78/607169178.db2.gz SIPMMCDUHQZBCU-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM Cc1cc(N)cc(C)c1C=[NH+][N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826269468 607783607 /nfs/dbraw/zinc/78/36/07/607783607.db2.gz NCTSEXKZUYDNMJ-UHFFFAOYSA-N -1 3 375.358 3.531 20 30 GHEDHM N#Cc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000826385921 607844179 /nfs/dbraw/zinc/84/41/79/607844179.db2.gz HMTDZXCXAVFYJR-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000826385921 607844180 /nfs/dbraw/zinc/84/41/80/607844180.db2.gz HMTDZXCXAVFYJR-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM CC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825038501 608060260 /nfs/dbraw/zinc/06/02/60/608060260.db2.gz DFNXVXJMIJZKOY-IBGZPJMESA-N -1 3 396.838 3.734 20 30 GHEDHM CC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825038501 608060261 /nfs/dbraw/zinc/06/02/61/608060261.db2.gz DFNXVXJMIJZKOY-IBGZPJMESA-N -1 3 396.838 3.734 20 30 GHEDHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824928154 608307191 /nfs/dbraw/zinc/30/71/91/608307191.db2.gz RMERPTVPMXSKPI-QAPCUYQASA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824928154 608307193 /nfs/dbraw/zinc/30/71/93/608307193.db2.gz RMERPTVPMXSKPI-QAPCUYQASA-N -1 3 396.495 3.833 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2cc(O)ccc2c1 ZINC000823958499 608535405 /nfs/dbraw/zinc/53/54/05/608535405.db2.gz PAGQCDOOZHDODL-UHFFFAOYSA-N -1 3 379.811 3.610 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2cc(O)ccc2c1 ZINC000823958499 608535406 /nfs/dbraw/zinc/53/54/06/608535406.db2.gz PAGQCDOOZHDODL-UHFFFAOYSA-N -1 3 379.811 3.610 20 30 GHEDHM Fc1ccc2[nH]c3c(c2c1)C(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)CCC3 ZINC000826375968 608539930 /nfs/dbraw/zinc/53/99/30/608539930.db2.gz JJJXUUCNDOMWLL-UHFFFAOYSA-N -1 3 396.817 3.688 20 30 GHEDHM Fc1ccc2[nH]c3c(c2c1)C(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)CCC3 ZINC000826375968 608539931 /nfs/dbraw/zinc/53/99/31/608539931.db2.gz JJJXUUCNDOMWLL-UHFFFAOYSA-N -1 3 396.817 3.688 20 30 GHEDHM C[C@H](C#N)CN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000824035295 608742162 /nfs/dbraw/zinc/74/21/62/608742162.db2.gz WIYZLDAYYURQJQ-MRXNPFEDSA-N -1 3 388.475 3.570 20 30 GHEDHM C[C@H](C#N)CN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000824035295 608742163 /nfs/dbraw/zinc/74/21/63/608742163.db2.gz WIYZLDAYYURQJQ-MRXNPFEDSA-N -1 3 388.475 3.570 20 30 GHEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)S1 ZINC000826296752 608873594 /nfs/dbraw/zinc/87/35/94/608873594.db2.gz IFDOUWMXMGWCSO-OQLLNIDSSA-N -1 3 394.435 3.514 20 30 GHEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)S1 ZINC000826296752 608873596 /nfs/dbraw/zinc/87/35/96/608873596.db2.gz IFDOUWMXMGWCSO-OQLLNIDSSA-N -1 3 394.435 3.514 20 30 GHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Br ZINC000826285582 609269857 /nfs/dbraw/zinc/26/98/57/609269857.db2.gz DCIBMUFGCODAPJ-QPJJXVBHSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000826285582 609269858 /nfs/dbraw/zinc/26/98/58/609269858.db2.gz DCIBMUFGCODAPJ-QPJJXVBHSA-N -1 3 387.212 3.973 20 30 GHEDHM Cn1cc(C=NNc2cccc(Cl)c2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360444 609304850 /nfs/dbraw/zinc/30/48/50/609304850.db2.gz KLCINRKYFGEKOH-UHFFFAOYSA-N -1 3 396.817 3.506 20 30 GHEDHM Cn1cc(C=NNc2cccc(Cl)c2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360444 609304852 /nfs/dbraw/zinc/30/48/52/609304852.db2.gz KLCINRKYFGEKOH-UHFFFAOYSA-N -1 3 396.817 3.506 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823958558 609473500 /nfs/dbraw/zinc/47/35/00/609473500.db2.gz QNCXQKKKNJZBAW-UHFFFAOYSA-N -1 3 392.206 3.918 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823958558 609473502 /nfs/dbraw/zinc/47/35/02/609473502.db2.gz QNCXQKKKNJZBAW-UHFFFAOYSA-N -1 3 392.206 3.918 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000187022083 834977066 /nfs/dbraw/zinc/97/70/66/834977066.db2.gz ADDRTAPHWMWISN-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)ccc2[nH]1 ZINC000536192972 835436511 /nfs/dbraw/zinc/43/65/11/835436511.db2.gz OZFXNYLPHWKUHQ-UHFFFAOYSA-N -1 3 380.351 3.563 20 30 GHEDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2[nH]1 ZINC000536192972 835436514 /nfs/dbraw/zinc/43/65/14/835436514.db2.gz OZFXNYLPHWKUHQ-UHFFFAOYSA-N -1 3 380.351 3.563 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000728232048 836523284 /nfs/dbraw/zinc/52/32/84/836523284.db2.gz RKBQLJSYDHBICQ-JCVNQNCUSA-N -1 3 397.471 3.851 20 30 GHEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000188601295 836818451 /nfs/dbraw/zinc/81/84/51/836818451.db2.gz ZYSSQTVYJKPMGL-UHFFFAOYSA-N -1 3 380.853 3.808 20 30 GHEDHM COCCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000472494541 837169819 /nfs/dbraw/zinc/16/98/19/837169819.db2.gz FGCFQXSIRFPHRS-HNNXBMFYSA-N -1 3 382.441 3.820 20 30 GHEDHM CO[C@@H](C)C(=O)Nc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255913310 837305630 /nfs/dbraw/zinc/30/56/30/837305630.db2.gz MLLCEUAICLYJLC-NSHDSACASA-N -1 3 377.238 3.879 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000330166316 841744465 /nfs/dbraw/zinc/74/44/65/841744465.db2.gz XUDFRJZEMMPDSP-AWEZNQCLSA-N -1 3 379.386 3.780 20 30 GHEDHM CCn1nc(C)c(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)c1C ZINC000750912122 861243147 /nfs/dbraw/zinc/24/31/47/861243147.db2.gz CGGBOWKTSOJPHW-SREVYHEPSA-N -1 3 379.254 3.893 20 30 GHEDHM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000603835649 861249797 /nfs/dbraw/zinc/24/97/97/861249797.db2.gz DIUOSFWJIYJSMX-GFCCVEGCSA-N -1 3 379.338 3.712 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CSCc2ccco2)cc1 ZINC000759833565 841916048 /nfs/dbraw/zinc/91/60/48/841916048.db2.gz IZZPWLGUZHTKHM-QXLXQBSBSA-N -1 3 398.440 3.551 20 30 GHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc(CN4CCCCC4)cs3)on2)c1 ZINC000279121201 842611444 /nfs/dbraw/zinc/61/14/44/842611444.db2.gz ZWRPGVCDZSZNDJ-UHFFFAOYSA-N -1 3 393.472 3.908 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(Cc2cccc(Cl)c2)CC1 ZINC000567851265 842766477 /nfs/dbraw/zinc/76/64/77/842766477.db2.gz NROBYFQAPDJSDK-UHFFFAOYSA-N -1 3 383.879 3.753 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000125793552 843286280 /nfs/dbraw/zinc/28/62/80/843286280.db2.gz JLMURBFRKQYUOR-UHFFFAOYSA-N -1 3 397.450 3.895 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OCc4cccnc4)c3)nc1-2 ZINC000429577242 843799243 /nfs/dbraw/zinc/79/92/43/843799243.db2.gz FBTSEXXKEZUSOP-GOSISDBHSA-N -1 3 383.411 3.730 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCc1ccccc1)C(F)F ZINC000600314726 861560975 /nfs/dbraw/zinc/56/09/75/861560975.db2.gz OUMOGTDJNKASRQ-SFHVURJKSA-N -1 3 387.430 3.591 20 30 GHEDHM COc1ccc(N(CC(C)C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000513582433 845684867 /nfs/dbraw/zinc/68/48/67/845684867.db2.gz NQPMMMVFWPFQKH-UHFFFAOYSA-N -1 3 381.476 3.906 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421462104 846255864 /nfs/dbraw/zinc/25/58/64/846255864.db2.gz TZUFBLDWTUEMTM-NSHDSACASA-N -1 3 380.516 3.656 20 30 GHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000664293007 847289874 /nfs/dbraw/zinc/28/98/74/847289874.db2.gz SGPJXKVZONKVIQ-HOCLYGCPSA-N -1 3 395.525 3.713 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2C1 ZINC000731937658 861977458 /nfs/dbraw/zinc/97/74/58/861977458.db2.gz MBHMGODAJHDNKJ-UHFFFAOYSA-N -1 3 384.432 3.847 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cn2)cc1 ZINC000604241790 862014329 /nfs/dbraw/zinc/01/43/29/862014329.db2.gz NPANWXFBPGCJJI-UHFFFAOYSA-N -1 3 382.379 3.839 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C#N)s3)cc2)cc1 ZINC000486841364 850150085 /nfs/dbraw/zinc/15/00/85/850150085.db2.gz APCDHDDSTTVXBW-UHFFFAOYSA-N -1 3 397.481 3.981 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000486844819 850155369 /nfs/dbraw/zinc/15/53/69/850155369.db2.gz UVVXCDBIZKAOET-ZETCQYMHSA-N -1 3 395.815 3.726 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)ccc1C#N ZINC000435735670 850822650 /nfs/dbraw/zinc/82/26/50/850822650.db2.gz PANBBWMGUCHDDX-UHFFFAOYSA-N -1 3 390.436 3.762 20 30 GHEDHM N#Cc1c(F)cccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000488247109 851309160 /nfs/dbraw/zinc/30/91/60/851309160.db2.gz ASNUOWYTVSJZDA-UHFFFAOYSA-N -1 3 377.404 3.824 20 30 GHEDHM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)ccc1OC ZINC000426775361 852381584 /nfs/dbraw/zinc/38/15/84/852381584.db2.gz AKYIFVROCIYCCB-FQEVSTJZSA-N -1 3 389.423 3.713 20 30 GHEDHM C=CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000426800852 852411034 /nfs/dbraw/zinc/41/10/34/852411034.db2.gz PLKAXAYYWYWNMY-QGZVFWFLSA-N -1 3 376.250 3.929 20 30 GHEDHM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)nc1 ZINC000436867531 852432552 /nfs/dbraw/zinc/43/25/52/852432552.db2.gz CPQFYZLYCZVNAP-HXUWFJFHSA-N -1 3 399.450 3.543 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912679500 852486642 /nfs/dbraw/zinc/48/66/42/852486642.db2.gz WTRGAGBTDOMQBL-ZDUSSCGKSA-N -1 3 384.224 3.600 20 30 GHEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2SC[C@H](C)C#N)c([O-])c1 ZINC000436967415 852537257 /nfs/dbraw/zinc/53/72/57/852537257.db2.gz YOKGFVMNFUEWMB-OAHLLOKOSA-N -1 3 397.500 3.711 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(-c4c(F)cccc4F)n3)nc21 ZINC000429605420 852906712 /nfs/dbraw/zinc/90/67/12/852906712.db2.gz QRRXAJMJMUOBHI-GFCCVEGCSA-N -1 3 377.354 3.825 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2(c3ccccc3F)CC2)no1 ZINC000516858247 853088030 /nfs/dbraw/zinc/08/80/30/853088030.db2.gz VTZAFRGKQZZFPD-UHFFFAOYSA-N -1 3 378.407 3.663 20 30 GHEDHM CCCOc1ccc(Cl)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000055595232 854015273 /nfs/dbraw/zinc/01/52/73/854015273.db2.gz VEEXOVZSHXYZAQ-UHFFFAOYSA-N -1 3 387.867 3.877 20 30 GHEDHM CCc1cc(N2CCC[C@@H](/N=C\c3cc(Br)ccc3[O-])C2)ncn1 ZINC000732913457 862587091 /nfs/dbraw/zinc/58/70/91/862587091.db2.gz VSSJVQDNIIBYCF-HSGPEQJXSA-N -1 3 389.297 3.595 20 30 GHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000604890604 862605769 /nfs/dbraw/zinc/60/57/69/862605769.db2.gz SAASNAUKIQMGJQ-SNVBAGLBSA-N -1 3 387.324 3.816 20 30 GHEDHM C=CCN1C(=O)/C(=C/c2cc(Br)c([O-])c(OC)c2)SC1=S ZINC000028963711 854992108 /nfs/dbraw/zinc/99/21/08/854992108.db2.gz ZMOMGSDCHRJMNT-XFFZJAGNSA-N -1 3 386.292 3.551 20 30 GHEDHM Cc1cc(-c2ncco2)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000590392118 855387460 /nfs/dbraw/zinc/38/74/60/855387460.db2.gz ARUFCSIJUCNKAB-UHFFFAOYSA-N -1 3 376.416 3.810 20 30 GHEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCc2ccccc2C1 ZINC000056351586 855523562 /nfs/dbraw/zinc/52/35/62/855523562.db2.gz KPWPOBIDIZVBJR-FQEVSTJZSA-N -1 3 391.515 3.592 20 30 GHEDHM N#Cc1ccc(OCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)cc1 ZINC000508065534 856872735 /nfs/dbraw/zinc/87/27/35/856872735.db2.gz XONRWTUCCNBZMB-UHFFFAOYSA-N -1 3 387.226 3.695 20 30 GHEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000508105296 856925653 /nfs/dbraw/zinc/92/56/53/856925653.db2.gz WPRMPYOFKNEVAQ-GFCCVEGCSA-N -1 3 386.848 3.672 20 30 GHEDHM C=CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCCCC1 ZINC001128925182 856968746 /nfs/dbraw/zinc/96/87/46/856968746.db2.gz ZSJMJOWIJUXACT-UHFFFAOYSA-N -1 3 396.528 3.911 20 30 GHEDHM CC1(C)CCc2sc([N-]C(=O)c3ncc(Br)cn3)c(C#N)c21 ZINC000906264083 856971362 /nfs/dbraw/zinc/97/13/62/856971362.db2.gz FJQASDCWLWZQAB-UHFFFAOYSA-N -1 3 377.267 3.648 20 30 GHEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000592351239 857161288 /nfs/dbraw/zinc/16/12/88/857161288.db2.gz JQSVROGWYAVHPT-FQEVSTJZSA-N -1 3 388.489 3.550 20 30 GHEDHM Cc1ccc(-c2nnc3n2CCCCC3)cc1/N=C/c1c([O-])c(C)ncc1CO ZINC000027069941 857344401 /nfs/dbraw/zinc/34/44/01/857344401.db2.gz JIMSZONXTUVDHI-WYMPLXKRSA-N -1 3 391.475 3.632 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000521873161 858405419 /nfs/dbraw/zinc/40/54/19/858405419.db2.gz TXDUCHZUPSPGBQ-UHFFFAOYSA-N -1 3 388.399 3.735 20 30 GHEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc2[C@@H](C)C1 ZINC000593166447 858866749 /nfs/dbraw/zinc/86/67/49/858866749.db2.gz XIBCQCYRPUEEIN-UWVGGRQHSA-N -1 3 378.475 3.554 20 30 GHEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCCN1c1ccccc1F ZINC000761183335 858925401 /nfs/dbraw/zinc/92/54/01/858925401.db2.gz YPLUTGFNIFUOEZ-ZGFXFUDXSA-N -1 3 391.240 3.908 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc(Br)cc3c2OCC3)ccc1[O-] ZINC000764915019 859674314 /nfs/dbraw/zinc/67/43/14/859674314.db2.gz JGOQCGXCIRPKMZ-ONEGZZNKSA-N -1 3 375.218 3.994 20 30 GHEDHM CCOc1cc(C=NNC(=S)Nc2ccc(OC)c(F)c2)cc(Cl)c1[O-] ZINC000727261216 860018564 /nfs/dbraw/zinc/01/85/64/860018564.db2.gz WRQWNNMODYQHFV-UHFFFAOYSA-N -1 3 397.859 3.913 20 30 GHEDHM N#CC(CCN1CCC[C@@H](c2n[n-]c(=N)o2)C1)(c1ccccc1)c1ccccc1 ZINC000602892376 860347326 /nfs/dbraw/zinc/34/73/26/860347326.db2.gz OGWVNZAOXYLXFS-GOSISDBHSA-N -1 3 387.487 3.562 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706747 863717821 /nfs/dbraw/zinc/71/78/21/863717821.db2.gz YRTJWUYCRNDZJZ-JKSUJKDBSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706747 863717831 /nfs/dbraw/zinc/71/78/31/863717831.db2.gz YRTJWUYCRNDZJZ-JKSUJKDBSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706743 863717903 /nfs/dbraw/zinc/71/79/03/863717903.db2.gz YRTJWUYCRNDZJZ-HOTGVXAUSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706743 863717916 /nfs/dbraw/zinc/71/79/16/863717916.db2.gz YRTJWUYCRNDZJZ-HOTGVXAUSA-N -1 3 399.241 3.787 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C[S@](=O)c3ccccc3)c2)c1[O-] ZINC000734366026 864178932 /nfs/dbraw/zinc/17/89/32/864178932.db2.gz BUCAKAORGCFUEX-MHZLTWQESA-N -1 3 380.469 3.646 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1[O-] ZINC000734752279 864419000 /nfs/dbraw/zinc/41/90/00/864419000.db2.gz CTPVSFOIBQEATM-MUUNZHRXSA-N -1 3 394.496 3.787 20 30 GHEDHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736330838 865182440 /nfs/dbraw/zinc/18/24/40/865182440.db2.gz ZWQKJKZVNWDKPF-FPAJZGIOSA-N -1 3 388.431 3.568 20 30 GHEDHM CC[C@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736330838 865182445 /nfs/dbraw/zinc/18/24/45/865182445.db2.gz ZWQKJKZVNWDKPF-FPAJZGIOSA-N -1 3 388.431 3.568 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000121374175 866121102 /nfs/dbraw/zinc/12/11/02/866121102.db2.gz UQUHTCNHUHOKDF-JOCHJYFZSA-N -1 3 395.478 3.983 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cnc(C)nc1C ZINC000741464562 866531595 /nfs/dbraw/zinc/53/15/95/866531595.db2.gz RFCJFHGPRLBFMF-UHFFFAOYSA-N -1 3 395.488 3.730 20 30 GHEDHM C=C(CC)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000456831555 867222771 /nfs/dbraw/zinc/22/27/71/867222771.db2.gz VBPANGSSWUJMAR-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)s1 ZINC000479151176 867243944 /nfs/dbraw/zinc/24/39/44/867243944.db2.gz OIWMDHUTPLBVGL-RNCFNFMXSA-N -1 3 377.329 3.570 20 30 GHEDHM Cc1cccc2[nH]cc(C=Nn3c(=S)[n-]nc3[C@@H]3COc4ccccc4O3)c21 ZINC000920365536 882065792 /nfs/dbraw/zinc/06/57/92/882065792.db2.gz CZAFVKYUSBODPC-KRWDZBQOSA-N -1 3 391.456 3.751 20 30 GHEDHM CCCCOc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1OC ZINC000920384100 882076517 /nfs/dbraw/zinc/07/65/17/882076517.db2.gz OOABWYKWFAHGQQ-UHFFFAOYSA-N -1 3 390.505 3.718 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000156429917 868364451 /nfs/dbraw/zinc/36/44/51/868364451.db2.gz KPRIEOKLNLFSND-HXUWFJFHSA-N -1 3 391.515 3.810 20 30 GHEDHM Cc1ccc(C(C)C)c(Oc2ccc(C=NN3CC(=O)[N-]C3=O)cc2[N+](=O)[O-])c1 ZINC000744810471 869079473 /nfs/dbraw/zinc/07/94/73/869079473.db2.gz QDNQAOIDBWHNAY-UHFFFAOYSA-N -1 3 396.403 3.705 20 30 GHEDHM N#Cc1ccc(I)cc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001193593175 871177649 /nfs/dbraw/zinc/17/76/49/871177649.db2.gz SWOWVCKAJVKPIY-UHFFFAOYSA-N -1 3 398.587 3.774 20 30 GHEDHM O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[N-]CC(F)(F)F ZINC000540519243 871516909 /nfs/dbraw/zinc/51/69/09/871516909.db2.gz GKPHHBBTIFHKKQ-JTQLQIEISA-N -1 3 382.226 3.577 20 30 GHEDHM N#Cc1cccnc1OC1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000526930498 872280143 /nfs/dbraw/zinc/28/01/43/872280143.db2.gz OMQGAVGTONEKIE-UHFFFAOYSA-N -1 3 387.439 3.932 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(F)c1 ZINC000619463534 872659995 /nfs/dbraw/zinc/65/99/95/872659995.db2.gz PRENSMQGWJYINT-UHFFFAOYSA-N -1 3 390.436 3.648 20 30 GHEDHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1F ZINC001196550843 873203144 /nfs/dbraw/zinc/20/31/44/873203144.db2.gz FHRMMOJBQVRKDX-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CCc1nc2ccc(Cl)cn2c1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000464181167 873363044 /nfs/dbraw/zinc/36/30/44/873363044.db2.gz LSDPOFPCPUHKEP-GFCCVEGCSA-N -1 3 378.823 3.620 20 30 GHEDHM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000464185244 873369353 /nfs/dbraw/zinc/36/93/53/873369353.db2.gz LWHMQEAQKNFUAE-CYBMUJFWSA-N -1 3 398.216 3.602 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)ccc1Br ZINC001197600952 873935785 /nfs/dbraw/zinc/93/57/85/873935785.db2.gz VDXGKSSYYPIFEE-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1 ZINC000770098629 874458633 /nfs/dbraw/zinc/45/86/33/874458633.db2.gz GIKPWDYWOPFZJY-IBGZPJMESA-N -1 3 379.460 3.955 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)sc1Cl ZINC000528551052 874719938 /nfs/dbraw/zinc/71/99/38/874719938.db2.gz HCFOEDVSQNEWCJ-UHFFFAOYSA-N -1 3 396.921 3.566 20 30 GHEDHM CC#CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000785529539 876088147 /nfs/dbraw/zinc/08/81/47/876088147.db2.gz BDPYJEUXUBMCEI-UHFFFAOYSA-N -1 3 395.839 3.850 20 30 GHEDHM CCc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1[O-] ZINC000530345818 877591176 /nfs/dbraw/zinc/59/11/76/877591176.db2.gz KIOONHCXGCXQGU-UHFFFAOYSA-N -1 3 377.444 3.790 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3nc(C)ccc3o2)cc1Cl ZINC000179617282 877781714 /nfs/dbraw/zinc/78/17/14/877781714.db2.gz SLXFQSHLWQUTLT-GFCCVEGCSA-N -1 3 383.791 3.759 20 30 GHEDHM N#Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000852674006 878511838 /nfs/dbraw/zinc/51/18/38/878511838.db2.gz SQOMJNLCPGXKBU-RTBURBONSA-N -1 3 387.405 3.595 20 30 GHEDHM COc1ccc(CN2CCC(=N[N-]c3ncnc4sc(C)c(C)c43)C2=O)cc1 ZINC000853267650 878942180 /nfs/dbraw/zinc/94/21/80/878942180.db2.gz XSQHYPZSSNFDHZ-UHFFFAOYSA-N -1 3 395.488 3.517 20 30 GHEDHM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000791305276 880315369 /nfs/dbraw/zinc/31/53/69/880315369.db2.gz HMNBICFMPNJMKE-GOSISDBHSA-N -1 3 377.469 3.630 20 30 GHEDHM N#Cc1cc(Cl)cc(Br)c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000804623701 883134568 /nfs/dbraw/zinc/13/45/68/883134568.db2.gz SUGAVOBDRKZQRB-UHFFFAOYSA-N -1 3 380.555 3.723 20 30 GHEDHM N#CC1(c2ccc([N-]S(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)cc2)CC1 ZINC001212258385 883188075 /nfs/dbraw/zinc/18/80/75/883188075.db2.gz YNMLXTYWAIVBGP-UHFFFAOYSA-N -1 3 382.272 3.932 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2)n1 ZINC000183098198 883237579 /nfs/dbraw/zinc/23/75/79/883237579.db2.gz RUHQXHQCEZTYAH-UHFFFAOYSA-N -1 3 384.439 3.807 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccncc1OC[C@@H]1CCOC1 ZINC000806552740 884803819 /nfs/dbraw/zinc/80/38/19/884803819.db2.gz XTGLUBKSWDLVKF-FCQRQVBFSA-N -1 3 391.265 3.584 20 30 GHEDHM CC(C)(C)OC(=O)C1(C([O-])=C(C#N)c2cnc3ccccc3n2)CCSCC1 ZINC000860701996 884928107 /nfs/dbraw/zinc/92/81/07/884928107.db2.gz LEGMCOKBJRMEHQ-AWEZNQCLSA-N -1 3 397.500 3.661 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2C(C)C)ccc1F ZINC000809389488 887365684 /nfs/dbraw/zinc/36/56/84/887365684.db2.gz HTHCMUQLRMPTLD-UHFFFAOYSA-N -1 3 390.480 3.690 20 30 GHEDHM COC(=O)c1ccc(OCc2ccccc2)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000763097007 887672013 /nfs/dbraw/zinc/67/20/13/887672013.db2.gz MFMHPRJEPKWAPS-UHFFFAOYSA-N -1 3 393.395 3.920 20 30 GHEDHM COc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000810149063 888235611 /nfs/dbraw/zinc/23/56/11/888235611.db2.gz WMQWOYPHEFINIY-UHFFFAOYSA-N -1 3 399.394 3.569 20 30 GHEDHM O=C1CCCC(=O)N1c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000794833266 888282302 /nfs/dbraw/zinc/28/23/02/888282302.db2.gz NCDCIGZOTJCITA-UHFFFAOYSA-N -1 3 387.233 3.949 20 30 GHEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c(C)n1C1CC1 ZINC000916320749 888922151 /nfs/dbraw/zinc/92/21/51/888922151.db2.gz ISRVJKZXSYMXCE-GOSISDBHSA-N -1 3 395.488 3.715 20 30 GHEDHM COC(=O)c1ccc(Cl)c(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000794941475 889002332 /nfs/dbraw/zinc/00/23/32/889002332.db2.gz OZPTUPCJEWWPBQ-FNORWQNLSA-N -1 3 376.792 3.746 20 30 GHEDHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000154050844 889119888 /nfs/dbraw/zinc/11/98/88/889119888.db2.gz HMDQDSKZVJGHGD-UHFFFAOYSA-N -1 3 389.424 3.635 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Oc2c(C)cc(CC)cc2C)ccc1F ZINC001132911029 889789377 /nfs/dbraw/zinc/78/93/77/889789377.db2.gz JEXNYTJJTAAVHJ-UHFFFAOYSA-N -1 3 391.464 3.688 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c(C#N)cc1N(C)C ZINC000811833116 890019179 /nfs/dbraw/zinc/01/91/79/890019179.db2.gz MQVXIWOFYQCYHX-HJWRWDBZSA-N -1 3 375.881 3.999 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(NC(=O)c3cccc(F)c3)c2)c1[O-] ZINC000917558804 892166901 /nfs/dbraw/zinc/16/69/01/892166901.db2.gz ZAIIRNBQSWIYOS-MSXFZWOLSA-N -1 3 393.418 3.598 20 30 GHEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3nc(C(C)(C)C)cs3)sc2C1 ZINC000875837355 892832930 /nfs/dbraw/zinc/83/29/30/892832930.db2.gz BEFJZFNNNJVWLO-UHFFFAOYSA-N -1 3 388.518 3.531 20 30 GHEDHM CCc1cnc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000814829788 893212145 /nfs/dbraw/zinc/21/21/45/893212145.db2.gz KLNAJKFTMKZJSL-UHFFFAOYSA-N -1 3 386.502 3.952 20 30 GHEDHM Cc1c2ccccc2n(C)c1CN=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000814846907 893235292 /nfs/dbraw/zinc/23/52/92/893235292.db2.gz QXBLJTPZSULGOK-UHFFFAOYSA-N -1 3 377.452 3.533 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cccc2cccnc12 ZINC000818235990 896093166 /nfs/dbraw/zinc/09/31/66/896093166.db2.gz YUXIMAWSVWIFCE-QGZVFWFLSA-N -1 3 389.440 3.510 20 30 GHEDHM CCCc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000566310420 896230884 /nfs/dbraw/zinc/23/08/84/896230884.db2.gz LVHWULHRBXNSGK-UHFFFAOYSA-N -1 3 378.473 3.645 20 30 GHEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cnnn4)cc3)n2)cc1 ZINC000041513797 896354403 /nfs/dbraw/zinc/35/44/03/896354403.db2.gz QKLLCYDNONPVLA-QGZVFWFLSA-N -1 3 386.440 3.584 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(F)cc(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826234060 896573775 /nfs/dbraw/zinc/57/37/75/896573775.db2.gz GWPSHQGBYLDBHZ-UQCOIBPSSA-N -1 3 392.369 3.535 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000820476487 897349682 /nfs/dbraw/zinc/34/96/82/897349682.db2.gz LYEWAZXYDQIBLC-INIZCTEOSA-N -1 3 393.365 3.559 20 30 GHEDHM C#Cc1ccc(CNC(=O)CCCCCCCNC(=O)c2ccccc2[O-])cc1 ZINC001185936355 914179699 /nfs/dbraw/zinc/17/96/99/914179699.db2.gz APEUPEFYLGVRHK-UHFFFAOYSA-N -1 3 392.499 3.760 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000800041448 898528764 /nfs/dbraw/zinc/52/87/64/898528764.db2.gz JCOYWXAVZBPGQF-ROJDOSBLSA-N -1 3 384.354 3.999 20 30 GHEDHM O=C(C=Cc1ccc(F)c(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401346 899723790 /nfs/dbraw/zinc/72/37/90/899723790.db2.gz WHVRMCYGIXOWRS-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401346 899723797 /nfs/dbraw/zinc/72/37/97/899723797.db2.gz WHVRMCYGIXOWRS-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000826402050 899791604 /nfs/dbraw/zinc/79/16/04/899791604.db2.gz LZXOJBZTXWMAGR-LUAWRHEFSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000826402050 899791607 /nfs/dbraw/zinc/79/16/07/899791607.db2.gz LZXOJBZTXWMAGR-LUAWRHEFSA-N -1 3 377.423 3.892 20 30 GHEDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)cn1 ZINC000282923694 900222550 /nfs/dbraw/zinc/22/25/50/900222550.db2.gz WOMHEDSVPIOFRC-UHFFFAOYSA-N -1 3 386.477 3.915 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000043755075 900724810 /nfs/dbraw/zinc/72/48/10/900724810.db2.gz QVOMPUYWMVQYEH-GFCCVEGCSA-N -1 3 391.393 3.692 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2c(Br)cccc21 ZINC000826475351 900841377 /nfs/dbraw/zinc/84/13/77/900841377.db2.gz CMKUZAJHQLUOSX-RMKNXTFCSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2c(Br)cccc21 ZINC000826475351 900841381 /nfs/dbraw/zinc/84/13/81/900841381.db2.gz CMKUZAJHQLUOSX-RMKNXTFCSA-N -1 3 387.262 3.903 20 30 GHEDHM CC(C)(C)c1noc(CCCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)n1 ZINC000845836856 902450712 /nfs/dbraw/zinc/45/07/12/902450712.db2.gz CJFYPBXFPONITH-INIZCTEOSA-N -1 3 379.460 3.700 20 30 GHEDHM Cc1ccc(C[C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000264871278 903441195 /nfs/dbraw/zinc/44/11/95/903441195.db2.gz HXICGSNETJEZBQ-LJQANCHMSA-N -1 3 377.488 3.750 20 30 GHEDHM N#Cc1cc(NC(=O)CC[C@@](F)(Cl)C(F)(F)Br)ccc1[O-] ZINC001146413170 903531456 /nfs/dbraw/zinc/53/14/56/903531456.db2.gz JLPAFAYMVIIBSW-NSHDSACASA-N -1 3 385.567 3.875 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc([C@H](C)C#N)c2)c(C)c1[O-] ZINC001148619506 904141063 /nfs/dbraw/zinc/14/10/63/904141063.db2.gz ZHIFQRJLYFSMBO-GFCCVEGCSA-N -1 3 377.400 3.628 20 30 GHEDHM N#Cc1ccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)cc1 ZINC000036767525 904520359 /nfs/dbraw/zinc/52/03/59/904520359.db2.gz KVMVGQPUKMGSLC-UHFFFAOYSA-N -1 3 393.859 3.926 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCCOC)c2)cc1 ZINC000777303703 905725236 /nfs/dbraw/zinc/72/52/36/905725236.db2.gz FTXFYCOGWLNSDB-DNVCBOLYSA-N -1 3 395.459 3.581 20 30 GHEDHM CCOC(=O)[C@H]1CCCc2sc(Nc3ccc(-c4nn[n-]n4)cc3)c(C#N)c21 ZINC001175424884 907545281 /nfs/dbraw/zinc/54/52/81/907545281.db2.gz GWMCKABGNDJOPM-ZDUSSCGKSA-N -1 3 394.460 3.526 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2cc3n(n2)CCC3)cc(Br)c1[O-] ZINC000901562246 921360101 /nfs/dbraw/zinc/36/01/01/921360101.db2.gz ZBKOMQPSTPREDY-AATRIKPKSA-N -1 3 377.238 3.592 20 30 GHEDHM CCC=C(C(=O)Nc1nc[nH]c1C#N)c1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC001177417443 908570469 /nfs/dbraw/zinc/57/04/69/908570469.db2.gz LPHSBVGAACVFHZ-POHAHGRESA-N -1 3 388.453 3.517 20 30 GHEDHM COc1cc(/C=C2/CC(=O)Nc3ccccc3C2=O)cc(Br)c1[O-] ZINC000774145537 911444694 /nfs/dbraw/zinc/44/46/94/911444694.db2.gz OYMPASCFYBJASQ-WDZFZDKYSA-N -1 3 388.217 3.772 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C[C@H]2CCc3ccc(F)cc32)c(C)c1[O-] ZINC001182593323 911899771 /nfs/dbraw/zinc/89/97/71/911899771.db2.gz NQRBAJZQBJXXJB-CQSZACIVSA-N -1 3 396.418 3.947 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)ccc1F ZINC000303630719 915011555 /nfs/dbraw/zinc/01/15/55/915011555.db2.gz FMDKHGHQHBHFRM-INIZCTEOSA-N -1 3 396.528 3.578 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1cnc2cc(C3CCOCC3)nn2c1 ZINC001188001619 915681216 /nfs/dbraw/zinc/68/12/16/915681216.db2.gz PTUUYWFCDVYFCD-UHFFFAOYSA-N -1 3 394.541 3.726 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(-c3ccccc3)[nH]2)c(C)c1[O-] ZINC001189016238 916343654 /nfs/dbraw/zinc/34/36/54/916343654.db2.gz ANEZHDDKHVXEHL-UHFFFAOYSA-N -1 3 389.411 3.996 20 30 GHEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2c(C)cccc2C#N)c2ccco2)cc1 ZINC001191411741 917988620 /nfs/dbraw/zinc/98/86/20/917988620.db2.gz AVBRJSTWOGVPJU-IBGZPJMESA-N -1 3 382.441 3.536 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)CCCc1ccccc1 ZINC000113857552 919381075 /nfs/dbraw/zinc/38/10/75/919381075.db2.gz NRLIOTLPNRAIEL-UHFFFAOYSA-N -1 3 393.531 3.961 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298413519 920512169 /nfs/dbraw/zinc/51/21/69/920512169.db2.gz YFAXOWUICUKTRG-UHFFFAOYSA-N -1 3 394.519 3.712 20 30 GHEDHM O=C(CCC(=O)N1CCc2sccc2C1)N([O-])Cc1cccc2ccccc21 ZINC000901369757 921046189 /nfs/dbraw/zinc/04/61/89/921046189.db2.gz GYDGRSXQCGJJKO-UHFFFAOYSA-N -1 3 394.496 3.984 20 30 GHEDHM O=C(CN1C(=O)CSc2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC000901371080 921047649 /nfs/dbraw/zinc/04/76/49/921047649.db2.gz QXWVDAQFGRQAAZ-UHFFFAOYSA-N -1 3 378.453 3.697 20 30 GHEDHM O=C(c1ccn(-c2cccc(Br)c2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901374938 921051858 /nfs/dbraw/zinc/05/18/58/921051858.db2.gz XNZZMUFSNZJKGV-UHFFFAOYSA-N -1 3 390.212 3.806 20 30 GHEDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901377902 921055697 /nfs/dbraw/zinc/05/56/97/921055697.db2.gz BUHCMERFOGKPLR-CYBMUJFWSA-N -1 3 387.307 3.996 20 30 GHEDHM O=C(Cc1ccc(-n2cnnc2)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378213 921055789 /nfs/dbraw/zinc/05/57/89/921055789.db2.gz FNVYSGMYTFXKLG-UHFFFAOYSA-N -1 3 377.231 3.535 20 30 GHEDHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000374593332 927319876 /nfs/dbraw/zinc/31/98/76/927319876.db2.gz IRQDOWAIXAOXAF-SZNDQCEHSA-N -1 3 393.487 3.827 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nc(-c2ccccc2)cs1 ZINC000751075592 928014552 /nfs/dbraw/zinc/01/45/52/928014552.db2.gz RBUVFFDSEHCFHH-GFCCVEGCSA-N -1 3 387.461 3.860 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1csc2ccccc21 ZINC000751075405 928015652 /nfs/dbraw/zinc/01/56/52/928015652.db2.gz OSAXQXMREHIBSK-LLVKDONJSA-N -1 3 387.442 3.721 20 30 GHEDHM C=C(C)Cn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccncc1 ZINC000412996633 928087785 /nfs/dbraw/zinc/08/77/85/928087785.db2.gz GLADEHIYQRQUEJ-UHFFFAOYSA-N -1 3 380.477 3.582 20 30 GHEDHM CCCOc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1 ZINC000546278282 930014948 /nfs/dbraw/zinc/01/49/48/930014948.db2.gz PJEKRQNIORWDBW-UHFFFAOYSA-N -1 3 378.432 3.900 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C(C)=Cc1ccc(F)cc1 ZINC000759242599 930318700 /nfs/dbraw/zinc/31/87/00/930318700.db2.gz PCCVAUIXNPFUBP-JICACKBISA-N -1 3 396.418 3.942 20 30 GHEDHM N#Cc1ccc([O-])c(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000759712987 930462558 /nfs/dbraw/zinc/46/25/58/930462558.db2.gz COTYYVBBYDZIRT-IBGZPJMESA-N -1 3 389.377 3.657 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C3CC3)c2)ccc1F ZINC000798763176 932771917 /nfs/dbraw/zinc/77/19/17/932771917.db2.gz JTQZHDILGLTKTE-UHFFFAOYSA-N -1 3 392.427 3.559 20 30 GHEDHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001116191786 933395965 /nfs/dbraw/zinc/39/59/65/933395965.db2.gz OVXOZIFNVPBWMZ-UHFFFAOYSA-N -1 3 394.500 3.922 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn(C2CCC2)c1 ZINC001122547482 934896564 /nfs/dbraw/zinc/89/65/64/934896564.db2.gz SWMGACDGCMMUEM-OAHLLOKOSA-N -1 3 377.231 3.876 20 30 GHEDHM C#Cc1ccc(NC(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(Cl)c1 ZINC001573290178 946899246 /nfs/dbraw/zinc/89/92/46/946899246.db2.gz GGFHDTWZKKTSKD-QGZVFWFLSA-N -1 3 392.850 3.701 20 30 GHEDHM C#Cc1ccc(NC(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(Cl)c1 ZINC001573290178 946899253 /nfs/dbraw/zinc/89/92/53/946899253.db2.gz GGFHDTWZKKTSKD-QGZVFWFLSA-N -1 3 392.850 3.701 20 30 GHEDHM C=C(C)CN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@@H]1CC1(C)C ZINC001573293795 946967415 /nfs/dbraw/zinc/96/74/15/946967415.db2.gz JUVZKMZDDDWWEZ-KRWDZBQOSA-N -1 3 392.511 3.574 20 30 GHEDHM C=C(C)CN(CC)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@@H]1CC1(C)C ZINC001573293795 946967424 /nfs/dbraw/zinc/96/74/24/946967424.db2.gz JUVZKMZDDDWWEZ-KRWDZBQOSA-N -1 3 392.511 3.574 20 30 GHEDHM C=CC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001573306854 947176293 /nfs/dbraw/zinc/17/62/93/947176293.db2.gz NTIXHNKGVKZOTM-UHFFFAOYSA-N -1 3 379.489 3.960 20 30 GHEDHM C=CC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001573306854 947176303 /nfs/dbraw/zinc/17/63/03/947176303.db2.gz NTIXHNKGVKZOTM-UHFFFAOYSA-N -1 3 379.489 3.960 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc2sccc2c([O-])c1 ZINC001573341735 947532162 /nfs/dbraw/zinc/53/21/62/947532162.db2.gz PRYMWHVQMSPKKN-UHFFFAOYSA-N -1 3 391.456 3.615 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1ccc(F)cc1 ZINC001573342070 947537191 /nfs/dbraw/zinc/53/71/91/947537191.db2.gz SOLDTAHMDKSENA-UHFFFAOYSA-N -1 3 379.439 3.543 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1ccc(F)cc1 ZINC001573342070 947537205 /nfs/dbraw/zinc/53/72/05/947537205.db2.gz SOLDTAHMDKSENA-UHFFFAOYSA-N -1 3 379.439 3.543 20 30 GHEDHM C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3[n-]c(=O)nc4nccnc43)[C@@H]12 ZINC001226990501 1032225019 /nfs/dbraw/zinc/22/50/19/1032225019.db2.gz XAQPDZVVJRAYAC-MQWYAIOESA-N -1 3 376.416 3.531 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCCCC1 ZINC000040365750 1019130355 /nfs/dbraw/zinc/13/03/55/1019130355.db2.gz NMADKRBIPVXBRT-CYBMUJFWSA-N -1 3 391.718 3.853 20 30 GHEDHM Cc1cc(Br)c([O-])c(CN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000800528587 1021315291 /nfs/dbraw/zinc/31/52/91/1021315291.db2.gz RBNMMPHCSRXTKR-UHFFFAOYSA-N -1 3 386.293 3.916 20 30 GHEDHM C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cccc([O-])c1Br)C2 ZINC001140550329 1021951439 /nfs/dbraw/zinc/95/14/39/1021951439.db2.gz QQYZIHCNIKEXMK-HKUYNNGSSA-N -1 3 396.325 3.728 20 30 GHEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cccc([O-])c1Br)CCO2 ZINC001140551349 1021953875 /nfs/dbraw/zinc/95/38/75/1021953875.db2.gz SYHRDMBPPVNCQS-QFBILLFUSA-N -1 3 396.325 3.728 20 30 GHEDHM C=C(CC)CNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000837101319 1024027167 /nfs/dbraw/zinc/02/71/67/1024027167.db2.gz SYHQNEVLBCNNPU-UHFFFAOYSA-N -1 3 393.336 3.624 20 30 GHEDHM N#Cc1ccc(N2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)nc1 ZINC001203580503 1027448437 /nfs/dbraw/zinc/44/84/37/1027448437.db2.gz PGUSZYPCBUCJIF-UHFFFAOYSA-N -1 3 377.275 3.678 20 30 GHEDHM O=S(=O)(c1cccc(N=Cc2ccc(O)c([O-])c2O)c1)C1CCCCC1 ZINC000840704503 1027745536 /nfs/dbraw/zinc/74/55/36/1027745536.db2.gz BCLWMZJKOJXWDT-UHFFFAOYSA-N -1 3 375.446 3.660 20 30 GHEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c([O-])c1Cl ZINC001276736671 1029582388 /nfs/dbraw/zinc/58/23/88/1029582388.db2.gz XKQKURDKWPWQMO-HXUWFJFHSA-N -1 3 378.900 3.587 20 30 GHEDHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H](C)C#C[Si](C)(C)C)nc21 ZINC001223402097 1030554780 /nfs/dbraw/zinc/55/47/80/1030554780.db2.gz CSJOUDULTVREOW-GTNSWQLSSA-N -1 3 382.895 3.954 20 30 GHEDHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H](C)C#C[Si](C)(C)C)[n-]c21 ZINC001223402097 1030554788 /nfs/dbraw/zinc/55/47/88/1030554788.db2.gz CSJOUDULTVREOW-GTNSWQLSSA-N -1 3 382.895 3.954 20 30 GHEDHM COc1cc(C#N)c(F)cc1NC(=O)c1nc2cc(Br)ccc2[n-]1 ZINC001151827096 1031023483 /nfs/dbraw/zinc/02/34/83/1031023483.db2.gz VYILRZYHSOQOEE-UHFFFAOYSA-N -1 3 389.184 3.597 20 30 GHEDHM COc1cc(C#N)c(F)cc1NC(=O)c1nc2ccc(Br)cc2[n-]1 ZINC001151827096 1031023499 /nfs/dbraw/zinc/02/34/99/1031023499.db2.gz VYILRZYHSOQOEE-UHFFFAOYSA-N -1 3 389.184 3.597 20 30 GHEDHM C=C(C)CN1CC[C@]2(CCCN(Cc3cc(F)c([O-])c(Cl)c3)CC2)C1=O ZINC001276998387 1031128014 /nfs/dbraw/zinc/12/80/14/1031128014.db2.gz HOSSRVHOLMYUHY-HXUWFJFHSA-N -1 3 380.891 3.965 20 30 GHEDHM Cc1ccc2cc(Br)cc(C(=O)N([O-])C(=N)c3ccccc3N)c2n1 ZINC001156999230 1033365751 /nfs/dbraw/zinc/36/57/51/1033365751.db2.gz OGMYQMFUWNBLFH-UHFFFAOYSA-N -1 3 399.248 3.745 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001157105331 1033416005 /nfs/dbraw/zinc/41/60/05/1033416005.db2.gz DXOGHUUCOVYGGO-UHFFFAOYSA-N -1 3 397.353 3.811 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001157105331 1033416008 /nfs/dbraw/zinc/41/60/08/1033416008.db2.gz DXOGHUUCOVYGGO-UHFFFAOYSA-N -1 3 397.353 3.811 20 30 GHEDHM CCOC(=O)CC(CC(=O)OCC)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934544 1033798358 /nfs/dbraw/zinc/79/83/58/1033798358.db2.gz CEDMOGHYASIEPP-HZHRSRAPSA-N -1 3 399.443 3.797 20 30 GHEDHM C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231224210 1034470964 /nfs/dbraw/zinc/47/09/64/1034470964.db2.gz XGUJGZVNRKQRRT-MRXNPFEDSA-N -1 3 398.411 3.780 20 30 GHEDHM C=CCOCc1ncn2c1CN(Cc1ccc([O-])c(C(F)(F)F)c1)CCC2 ZINC001231522745 1034673858 /nfs/dbraw/zinc/67/38/58/1034673858.db2.gz JJOIIYAFNHDSBM-UHFFFAOYSA-N -1 3 381.398 3.716 20 30 GHEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001231680694 1034831639 /nfs/dbraw/zinc/83/16/39/1034831639.db2.gz UEJWICKMAILWAF-GOSISDBHSA-N -1 3 394.471 3.928 20 30 GHEDHM O=C(CNC(=O)c1ccccc1C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC001161807801 1035306627 /nfs/dbraw/zinc/30/66/27/1035306627.db2.gz OONDBUCLPZTYOM-UHFFFAOYSA-N -1 3 386.757 3.507 20 30 GHEDHM CCS(=O)(=O)c1ccc(CCC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001161819386 1035308281 /nfs/dbraw/zinc/30/82/81/1035308281.db2.gz RISOGNSGEPENSR-UHFFFAOYSA-N -1 3 389.517 3.654 20 30 GHEDHM CC(C)(C)OC(=O)NCCN(Cc1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233388151 1039211035 /nfs/dbraw/zinc/21/10/35/1039211035.db2.gz ODIRDDCIXMATOG-UHFFFAOYSA-N -1 3 381.476 3.791 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001233800426 1039624999 /nfs/dbraw/zinc/62/49/99/1039624999.db2.gz QDBGDOAYAZHVKZ-GHRJMITJSA-N -1 3 378.469 3.918 20 30 GHEDHM C#C[C@@H](Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C)c1ccncc1 ZINC001234175647 1039909874 /nfs/dbraw/zinc/90/98/74/1039909874.db2.gz KDORZSUBKQWKIP-GOSISDBHSA-N -1 3 386.407 3.554 20 30 GHEDHM COc1ccccc1-c1cc([O-])c2c(=O)cc(OC)c(OC3CC(C#N)C3)c-2o1 ZINC001234733270 1040260640 /nfs/dbraw/zinc/26/06/40/1040260640.db2.gz MCKIQLRSAZMJBM-UHFFFAOYSA-N -1 3 393.395 3.864 20 30 GHEDHM COc1cc([O-])cc(OC2CN(C(C)(C)C)C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234775052 1040304682 /nfs/dbraw/zinc/30/46/82/1040304682.db2.gz RCISYOSEIVTSTQ-JXMROGBWSA-N -1 3 397.471 3.864 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)c1 ZINC001258132970 1044417832 /nfs/dbraw/zinc/41/78/32/1044417832.db2.gz TXVPWJWOEJJQCW-UHFFFAOYSA-N -1 3 391.424 3.845 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1N1CCCC1 ZINC001259396555 1045120109 /nfs/dbraw/zinc/12/01/09/1045120109.db2.gz IUGBENRMSGYYQR-UHFFFAOYSA-N -1 3 384.486 3.569 20 30 GHEDHM N#Cc1ccc(C2=CCN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)CC2)cc1 ZINC001295907439 1045184200 /nfs/dbraw/zinc/18/42/00/1045184200.db2.gz HRCMIJJRNUPOIO-UHFFFAOYSA-N -1 3 389.842 3.983 20 30 GHEDHM CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC001298543768 1045864655 /nfs/dbraw/zinc/86/46/55/1045864655.db2.gz WNHLQOSIGVJABZ-IHLVROMJSA-N -1 3 397.302 3.688 20 30 GHEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC001261077800 1045894255 /nfs/dbraw/zinc/89/42/55/1045894255.db2.gz KIOQUVIXMZWUHN-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM C[C@@]1([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)CCOc2ccccc21 ZINC001309889566 1051025275 /nfs/dbraw/zinc/02/52/75/1051025275.db2.gz YDVZGQDMRNAWIA-LJQANCHMSA-N -1 3 384.482 3.749 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001343286414 1053678069 /nfs/dbraw/zinc/67/80/69/1053678069.db2.gz FPGHJLXGWUHUCO-YJBOKZPZSA-N -1 3 390.491 3.708 20 30 GHEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001343496452 1053812462 /nfs/dbraw/zinc/81/24/62/1053812462.db2.gz KTKVKNPCORHXSN-OAHLLOKOSA-N -1 3 396.520 3.794 20 30 GHEDHM CCCn1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C ZINC001343508949 1053826556 /nfs/dbraw/zinc/82/65/56/1053826556.db2.gz KKZCOOYAJQXLCH-CQSZACIVSA-N -1 3 379.247 3.870 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@H](CC#N)C3)n2CCOC)c1[O-] ZINC001354944337 1056991281 /nfs/dbraw/zinc/99/12/81/1056991281.db2.gz UEPGCUOEXPZOQJ-QGZVFWFLSA-N -1 3 395.507 3.546 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC001355958884 1057333764 /nfs/dbraw/zinc/33/37/64/1057333764.db2.gz UUWNCIKDHXGTAN-GOSISDBHSA-N -1 3 390.491 3.537 20 30 GHEDHM COc1cc([C@@H](C#N)NC(=O)c2cc3sccc3c([O-])c2)cc(OC)c1OC ZINC001442580986 1058979770 /nfs/dbraw/zinc/97/97/70/1058979770.db2.gz IUUJGMYFUIDOEB-CQSZACIVSA-N -1 3 398.440 3.627 20 30 GHEDHM O=C([N-][C@@H](CO)CC(F)(F)F)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001446746540 1059848025 /nfs/dbraw/zinc/84/80/25/1059848025.db2.gz JSHGMQNPQMGKGR-ORMNHXAVSA-N -1 3 377.231 3.584 20 30 GHEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 ZINC001342197777 1061125704 /nfs/dbraw/zinc/12/57/04/1061125704.db2.gz LJBYCMDGRNKZTO-CQSZACIVSA-N -1 3 394.460 3.776 20 30 GHEDHM CN(C)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001454577168 1061856442 /nfs/dbraw/zinc/85/64/42/1061856442.db2.gz PVOUGFXZXVTGLZ-INIZCTEOSA-N -1 3 378.259 3.603 20 30 GHEDHM COC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c([O-])c(OC)c1 ZINC001456744939 1062835940 /nfs/dbraw/zinc/83/59/40/1062835940.db2.gz CKBFHRXWHGBRAM-UHFFFAOYSA-N -1 3 394.427 3.510 20 30 GHEDHM O=C(CCCN1C(=O)c2ccccc2C1=O)N([O-])Cc1cccc2ccccc21 ZINC001458016158 1063508686 /nfs/dbraw/zinc/50/86/86/1063508686.db2.gz IULLFUKFRSGXPA-UHFFFAOYSA-N -1 3 388.423 3.634 20 30 GHEDHM Cc1c(C(=O)N([O-])Cc2cccc3ccccc32)nnn1Cc1ccc(F)cc1 ZINC001458016186 1063509395 /nfs/dbraw/zinc/50/93/95/1063509395.db2.gz JTUMKRCSGDREOD-UHFFFAOYSA-N -1 3 390.418 3.959 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Br)c1F ZINC001437686641 1063916961 /nfs/dbraw/zinc/91/69/61/1063916961.db2.gz NKHIJJLKVZFWLX-UHFFFAOYSA-N -1 3 392.228 3.749 20 30 GHEDHM N#Cc1cnc2c(F)c(F)c(F)cc2c1N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001458705502 1063923312 /nfs/dbraw/zinc/92/33/12/1063923312.db2.gz SAPWAYGMHVBQIC-UMSPYCQHSA-N -1 3 399.376 3.580 20 30 GHEDHM C=C(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC001463820402 1064647330 /nfs/dbraw/zinc/64/73/30/1064647330.db2.gz QYSAAPOYRDBISP-UHFFFAOYSA-N -1 3 386.351 3.605 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001463935179 1064728820 /nfs/dbraw/zinc/72/88/20/1064728820.db2.gz MNGAFXUMYQIBHQ-YFKPBYRVSA-N -1 3 389.239 3.953 20 30 GHEDHM C#CCC1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCCC1 ZINC001464620489 1065116325 /nfs/dbraw/zinc/11/63/25/1065116325.db2.gz JRAAKSFMDKOZGJ-UHFFFAOYSA-N -1 3 379.375 3.729 20 30 GHEDHM O=C(Nc1ccccc1Oc1ccccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC001465077780 1065377105 /nfs/dbraw/zinc/37/71/05/1065377105.db2.gz CIYXAPIIMGVIDL-CQSZACIVSA-N -1 3 375.812 3.634 20 30 GHEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(Sc3ccccc3C#N)cc1)C2 ZINC001470675222 1072682493 /nfs/dbraw/zinc/68/24/93/1072682493.db2.gz YYGJNTQBYCXUED-UHFFFAOYSA-N -1 3 388.452 3.670 20 30 GHEDHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(CC#N)cc2)c(-c2ccccc2)s1 ZINC001475433085 1074873983 /nfs/dbraw/zinc/87/39/83/1074873983.db2.gz JOZGKYBZUGQCPT-UHFFFAOYSA-N -1 3 383.498 3.663 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000523549460 598828445 /nfs/dbraw/zinc/82/84/45/598828445.db2.gz OGPVBRCREGAYIM-UHFFFAOYSA-N -1 3 389.337 3.703 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000523549460 598828446 /nfs/dbraw/zinc/82/84/46/598828446.db2.gz OGPVBRCREGAYIM-UHFFFAOYSA-N -1 3 389.337 3.703 20 30 GHEDHM COc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(SC)cc1OC ZINC000737043678 599033517 /nfs/dbraw/zinc/03/35/17/599033517.db2.gz YYHYMMUOUYMETN-BQYQJAHWSA-N -1 3 382.445 3.502 20 30 GHEDHM COc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(SC)cc1OC ZINC000737043678 599033520 /nfs/dbraw/zinc/03/35/20/599033520.db2.gz YYHYMMUOUYMETN-BQYQJAHWSA-N -1 3 382.445 3.502 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1OC(F)(F)F ZINC000823505019 599115615 /nfs/dbraw/zinc/11/56/15/599115615.db2.gz WYAXKBBAGZTHET-JLHYYAGUSA-N -1 3 386.333 3.978 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1OC(F)(F)F ZINC000823505019 599115617 /nfs/dbraw/zinc/11/56/17/599115617.db2.gz WYAXKBBAGZTHET-JLHYYAGUSA-N -1 3 386.333 3.978 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(SC)c(OC)c2)cc1-c1nnn[n-]1 ZINC000737035883 599154675 /nfs/dbraw/zinc/15/46/75/599154675.db2.gz XQMBMIJVRJALGF-QPJJXVBHSA-N -1 3 382.445 3.502 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(SC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000737035883 599154677 /nfs/dbraw/zinc/15/46/77/599154677.db2.gz XQMBMIJVRJALGF-QPJJXVBHSA-N -1 3 382.445 3.502 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(C)cc(C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737253438 599157511 /nfs/dbraw/zinc/15/75/11/599157511.db2.gz RSYGXIRLWRFHSM-RUDMXATFSA-N -1 3 384.443 3.874 20 30 GHEDHM N#CCCSc1ccccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737696030 598504670 /nfs/dbraw/zinc/50/46/70/598504670.db2.gz ZLNOKKJTWAUTQG-UHFFFAOYSA-N -1 3 380.477 3.753 20 30 GHEDHM N#Cc1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000737718219 598553005 /nfs/dbraw/zinc/55/30/05/598553005.db2.gz MMCKSPPKXIVEOO-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000737718219 598553006 /nfs/dbraw/zinc/55/30/06/598553006.db2.gz MMCKSPPKXIVEOO-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1cccc(Cl)c1 ZINC000737201957 598584864 /nfs/dbraw/zinc/58/48/64/598584864.db2.gz IALXYNFJENBKNW-JXMROGBWSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cccc(Cl)c1 ZINC000737201957 598584866 /nfs/dbraw/zinc/58/48/66/598584866.db2.gz IALXYNFJENBKNW-JXMROGBWSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1sc(NC(=O)CCCCOc2cccc(C#N)c2)c(-c2nnn[n-]2)c1C ZINC000737561608 598647318 /nfs/dbraw/zinc/64/73/18/598647318.db2.gz JEBWCQXINCCESA-UHFFFAOYSA-N -1 3 396.476 3.605 20 30 GHEDHM Cc1sc(NC(=O)CCCCOc2cccc(C#N)c2)c(-c2nn[n-]n2)c1C ZINC000737561608 598647319 /nfs/dbraw/zinc/64/73/19/598647319.db2.gz JEBWCQXINCCESA-UHFFFAOYSA-N -1 3 396.476 3.605 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737730110 598704881 /nfs/dbraw/zinc/70/48/81/598704881.db2.gz FZGKJLUFOGZGJM-UHFFFAOYSA-N -1 3 399.385 3.901 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737730110 598704882 /nfs/dbraw/zinc/70/48/82/598704882.db2.gz FZGKJLUFOGZGJM-UHFFFAOYSA-N -1 3 399.385 3.901 20 30 GHEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2C)cn1 ZINC000735390202 598735672 /nfs/dbraw/zinc/73/56/72/598735672.db2.gz SJKUYGQCPGWZOP-UHFFFAOYSA-N -1 3 396.410 3.596 20 30 GHEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)cn1 ZINC000735390202 598735673 /nfs/dbraw/zinc/73/56/73/598735673.db2.gz SJKUYGQCPGWZOP-UHFFFAOYSA-N -1 3 396.410 3.596 20 30 GHEDHM Clc1ccc(Br)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822573565 599335396 /nfs/dbraw/zinc/33/53/96/599335396.db2.gz AWPRVNLJACLURC-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM Clc1ccc(Br)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822573565 599335397 /nfs/dbraw/zinc/33/53/97/599335397.db2.gz AWPRVNLJACLURC-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM N#Cc1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)ccc1F ZINC000737709387 599568180 /nfs/dbraw/zinc/56/81/80/599568180.db2.gz NRFUZKLIVLSFFV-UHFFFAOYSA-N -1 3 399.389 3.873 20 30 GHEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000819759015 599630233 /nfs/dbraw/zinc/63/02/33/599630233.db2.gz LAZPLBLJQVHWLZ-UHFFFAOYSA-N -1 3 395.488 3.615 20 30 GHEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000819759015 599630234 /nfs/dbraw/zinc/63/02/34/599630234.db2.gz LAZPLBLJQVHWLZ-UHFFFAOYSA-N -1 3 395.488 3.615 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764568 599630938 /nfs/dbraw/zinc/63/09/38/599630938.db2.gz JWADJMFTVOIPLF-YRNVUSSQSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000819764568 599630939 /nfs/dbraw/zinc/63/09/39/599630939.db2.gz JWADJMFTVOIPLF-YRNVUSSQSA-N -1 3 398.348 3.799 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822486894 607460017 /nfs/dbraw/zinc/46/00/17/607460017.db2.gz UWXAUUIPELXLBN-KHPPLWFESA-N -1 3 388.406 3.704 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822486894 607460018 /nfs/dbraw/zinc/46/00/18/607460018.db2.gz UWXAUUIPELXLBN-KHPPLWFESA-N -1 3 388.406 3.704 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)c(C)c2c1 ZINC000821854778 607459674 /nfs/dbraw/zinc/45/96/74/607459674.db2.gz VBRSCYRDXXKNGM-ALCCZGGFSA-N -1 3 378.363 3.965 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)c(C)c2c1 ZINC000821854778 607459677 /nfs/dbraw/zinc/45/96/77/607459677.db2.gz VBRSCYRDXXKNGM-ALCCZGGFSA-N -1 3 378.363 3.965 20 30 GHEDHM N#Cc1cccc([C@H](NCc2cccc(COCc3ccco3)c2)C(=O)[O-])c1 ZINC000833075551 601301509 /nfs/dbraw/zinc/30/15/09/601301509.db2.gz MAVYCRUZYJVIAD-NRFANRHFSA-N -1 3 376.412 3.784 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000826847392 604221040 /nfs/dbraw/zinc/22/10/40/604221040.db2.gz IGAKZIIZBCGFMV-CGTJXYLNSA-N -1 3 385.464 3.503 20 30 GHEDHM S=C(NN=Cc1ccc(-c2nnn[n-]2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000823732655 606369910 /nfs/dbraw/zinc/36/99/10/606369910.db2.gz NMCLDTFYAIKFQR-UHFFFAOYSA-N -1 3 398.304 3.556 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(Cl)ccc(Cl)c21 ZINC000823505149 606391679 /nfs/dbraw/zinc/39/16/79/606391679.db2.gz YCGISKJQAZBAIR-FNORWQNLSA-N -1 3 379.228 3.894 20 30 GHEDHM N#Cc1cccnc1Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822842380 606433020 /nfs/dbraw/zinc/43/30/20/606433020.db2.gz FXOJGXJYIFYOLH-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM N#Cc1cccnc1Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822842380 606433021 /nfs/dbraw/zinc/43/30/21/606433021.db2.gz FXOJGXJYIFYOLH-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM N#Cc1cc(NC(=O)CCCc2csc3ccccc23)ccc1-c1nnn[n-]1 ZINC000822822938 606681345 /nfs/dbraw/zinc/68/13/45/606681345.db2.gz ISQIPTFHSBDUFT-UHFFFAOYSA-N -1 3 388.456 3.914 20 30 GHEDHM N#Cc1cc(NC(=O)CCCc2csc3ccccc23)ccc1-c1nn[n-]n1 ZINC000822822938 606681346 /nfs/dbraw/zinc/68/13/46/606681346.db2.gz ISQIPTFHSBDUFT-UHFFFAOYSA-N -1 3 388.456 3.914 20 30 GHEDHM O=C1C(=Cc2c[nH]nc2-c2ccccc2F)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823498561 606695329 /nfs/dbraw/zinc/69/53/29/606695329.db2.gz UNWWLLQUJDTWCN-JLHYYAGUSA-N -1 3 386.390 3.608 20 30 GHEDHM O=C1C(=Cc2c[nH]nc2-c2ccccc2F)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823498561 606695330 /nfs/dbraw/zinc/69/53/30/606695330.db2.gz UNWWLLQUJDTWCN-JLHYYAGUSA-N -1 3 386.390 3.608 20 30 GHEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821170840 606786184 /nfs/dbraw/zinc/78/61/84/606786184.db2.gz XIDSEMHTWNPOGV-AWEZNQCLSA-N -1 3 390.447 3.589 20 30 GHEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821170840 606786186 /nfs/dbraw/zinc/78/61/86/606786186.db2.gz XIDSEMHTWNPOGV-AWEZNQCLSA-N -1 3 390.447 3.589 20 30 GHEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000820549721 606851061 /nfs/dbraw/zinc/85/10/61/606851061.db2.gz QUQXRXAMJAVWIQ-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000820549721 606851062 /nfs/dbraw/zinc/85/10/62/606851062.db2.gz QUQXRXAMJAVWIQ-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)OCC ZINC000823873945 607920398 /nfs/dbraw/zinc/92/03/98/607920398.db2.gz QJSCMZHVLVRMIN-ZDUSSCGKSA-N -1 3 375.498 3.507 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)OCC ZINC000823873945 607920399 /nfs/dbraw/zinc/92/03/99/607920399.db2.gz QJSCMZHVLVRMIN-ZDUSSCGKSA-N -1 3 375.498 3.507 20 30 GHEDHM CCC[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825224670 608060292 /nfs/dbraw/zinc/06/02/92/608060292.db2.gz BADKIPFQDJSRGE-CYBMUJFWSA-N -1 3 396.838 3.734 20 30 GHEDHM CCC[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825224670 608060293 /nfs/dbraw/zinc/06/02/93/608060293.db2.gz BADKIPFQDJSRGE-CYBMUJFWSA-N -1 3 396.838 3.734 20 30 GHEDHM N#Cc1ccnc(SCCCCCSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000826387820 608111262 /nfs/dbraw/zinc/11/12/62/608111262.db2.gz SOVCIGBZODAJJD-UHFFFAOYSA-N -1 3 383.506 3.583 20 30 GHEDHM N#Cc1ccnc(SCCCCCSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000826387820 608111263 /nfs/dbraw/zinc/11/12/63/608111263.db2.gz SOVCIGBZODAJJD-UHFFFAOYSA-N -1 3 383.506 3.583 20 30 GHEDHM Cc1cccc2c1ncc(C#N)c2N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826304359 608441739 /nfs/dbraw/zinc/44/17/39/608441739.db2.gz IKANWMNNGUXLNX-UHFFFAOYSA-N -1 3 393.454 3.889 20 30 GHEDHM Cc1cccc2c1ncc(C#N)c2N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826304359 608441741 /nfs/dbraw/zinc/44/17/41/608441741.db2.gz IKANWMNNGUXLNX-UHFFFAOYSA-N -1 3 393.454 3.889 20 30 GHEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1c(F)cccc1Cl ZINC000825028207 608535536 /nfs/dbraw/zinc/53/55/36/608535536.db2.gz FZGRSEQKOVTVIQ-UHFFFAOYSA-N -1 3 380.214 3.934 20 30 GHEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1c(F)cccc1Cl ZINC000825028207 608535538 /nfs/dbraw/zinc/53/55/38/608535538.db2.gz FZGRSEQKOVTVIQ-UHFFFAOYSA-N -1 3 380.214 3.934 20 30 GHEDHM C[C@H](C#N)CN(Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000824034456 608742632 /nfs/dbraw/zinc/74/26/32/608742632.db2.gz KAPOXFJMXBKIBV-MRXNPFEDSA-N -1 3 388.475 3.570 20 30 GHEDHM C[C@H](C#N)CN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000824034456 608742634 /nfs/dbraw/zinc/74/26/34/608742634.db2.gz KAPOXFJMXBKIBV-MRXNPFEDSA-N -1 3 388.475 3.570 20 30 GHEDHM CCCC[C@@H](ON=C(C)C)C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825267779 609267839 /nfs/dbraw/zinc/26/78/39/609267839.db2.gz NMYQWVHBQQTEID-GOSISDBHSA-N -1 3 386.500 3.577 20 30 GHEDHM CCCC[C@@H](ON=C(C)C)C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825267779 609267840 /nfs/dbraw/zinc/26/78/40/609267840.db2.gz NMYQWVHBQQTEID-GOSISDBHSA-N -1 3 386.500 3.577 20 30 GHEDHM C=C(C)CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823873554 609347578 /nfs/dbraw/zinc/34/75/78/609347578.db2.gz NCRZZGMOFNRCGL-UHFFFAOYSA-N -1 3 383.839 3.961 20 30 GHEDHM C=C(C)CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823873554 609347580 /nfs/dbraw/zinc/34/75/80/609347580.db2.gz NCRZZGMOFNRCGL-UHFFFAOYSA-N -1 3 383.839 3.961 20 30 GHEDHM CCOc1ccc(N(CCC#N)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000433344870 844031445 /nfs/dbraw/zinc/03/14/45/844031445.db2.gz VBDCQCHNOOMTBP-UHFFFAOYSA-N -1 3 393.418 3.935 20 30 GHEDHM O=C(NC1CCCCC1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000329779638 835935586 /nfs/dbraw/zinc/93/55/86/835935586.db2.gz MAVPHTFKWSKETJ-UHFFFAOYSA-N -1 3 381.476 3.550 20 30 GHEDHM CCOC(=O)c1nn(-c2ccccc2)cc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728230189 836520715 /nfs/dbraw/zinc/52/07/15/836520715.db2.gz BDANHFYEVIILNS-BENRWUELSA-N -1 3 376.412 3.959 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000047385815 844260738 /nfs/dbraw/zinc/26/07/38/844260738.db2.gz MAAHMVJRHBPCAK-FQEVSTJZSA-N -1 3 383.467 3.839 20 30 GHEDHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000589586571 838472060 /nfs/dbraw/zinc/47/20/60/838472060.db2.gz KNBNRTSJTDHOHI-UHFFFAOYSA-N -1 3 394.500 3.922 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2ccc(N3CC=C(c4ccc(C#N)cc4)CC3)nc2)n1 ZINC000378356136 838944399 /nfs/dbraw/zinc/94/43/99/838944399.db2.gz RZWBREPUZVPKOK-UHFFFAOYSA-N -1 3 383.455 3.972 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(C#N)CCC3)c2)cc1 ZINC000416360093 839033399 /nfs/dbraw/zinc/03/33/99/839033399.db2.gz MNOHBCDSURPHSS-UHFFFAOYSA-N -1 3 397.500 3.528 20 30 GHEDHM C=CC[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000628489956 839440655 /nfs/dbraw/zinc/44/06/55/839440655.db2.gz LPCIEYJXAYICPZ-DYESRHJHSA-N -1 3 378.472 3.678 20 30 GHEDHM C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000215924910 839615067 /nfs/dbraw/zinc/61/50/67/839615067.db2.gz RAFCPFYEGJYKHI-UHFFFAOYSA-N -1 3 384.501 3.918 20 30 GHEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000124683923 841014505 /nfs/dbraw/zinc/01/45/05/841014505.db2.gz GPDCXMMFTOMRLF-INIZCTEOSA-N -1 3 375.222 3.613 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000603810197 861212779 /nfs/dbraw/zinc/21/27/79/861212779.db2.gz HTXWICACSLGCSQ-KRWDZBQOSA-N -1 3 377.366 3.628 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123855276 841862738 /nfs/dbraw/zinc/86/27/38/841862738.db2.gz NMSMRECLGZMPPO-LBPRGKRZSA-N -1 3 376.174 3.965 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000657037093 842663794 /nfs/dbraw/zinc/66/37/94/842663794.db2.gz UQXOEEHIJUIGGM-IUODEOHRSA-N -1 3 388.892 3.851 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)ccc1Cl ZINC000432963333 844756743 /nfs/dbraw/zinc/75/67/43/844756743.db2.gz UZYFSTWCZVFMGB-CQSZACIVSA-N -1 3 392.761 3.775 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000513562133 845670690 /nfs/dbraw/zinc/67/06/90/845670690.db2.gz FVPMAINCFSFXGW-UHFFFAOYSA-N -1 3 376.460 3.769 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000582059747 846177742 /nfs/dbraw/zinc/17/77/42/846177742.db2.gz CKQDZHLWSLNZDV-YPMHNXCESA-N -1 3 380.819 3.805 20 30 GHEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)o2)cs1 ZINC000503430705 847689524 /nfs/dbraw/zinc/68/95/24/847689524.db2.gz HMQLEFYLVRIXNS-UHFFFAOYSA-N -1 3 393.877 3.715 20 30 GHEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000673830849 861886961 /nfs/dbraw/zinc/88/69/61/861886961.db2.gz IWQYHQSOPHZQLX-UHFFFAOYSA-N -1 3 381.482 3.926 20 30 GHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000180065090 861931415 /nfs/dbraw/zinc/93/14/15/861931415.db2.gz KSABFNMCVZAWGA-UHFFFAOYSA-N -1 3 377.279 3.729 20 30 GHEDHM CCc1noc2ncc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 ZINC000171266347 861990939 /nfs/dbraw/zinc/99/09/39/861990939.db2.gz JBYWUCKSWWAHIL-LBPRGKRZSA-N -1 3 386.770 3.539 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000435606299 850695204 /nfs/dbraw/zinc/69/52/04/850695204.db2.gz KXQMPYJDZLPHLR-HZMBPMFUSA-N -1 3 383.819 3.618 20 30 GHEDHM C=CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000435723968 850807351 /nfs/dbraw/zinc/80/73/51/850807351.db2.gz BCYCRANICBTYSN-AWEZNQCLSA-N -1 3 398.937 3.504 20 30 GHEDHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043997224 851228323 /nfs/dbraw/zinc/22/83/23/851228323.db2.gz HCHPUNVDJDBANB-UHFFFAOYSA-N -1 3 387.268 3.978 20 30 GHEDHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043997224 851228330 /nfs/dbraw/zinc/22/83/30/851228330.db2.gz HCHPUNVDJDBANB-UHFFFAOYSA-N -1 3 387.268 3.978 20 30 GHEDHM C[C@H]([N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1noc(C(F)(F)F)n1 ZINC000910751983 851365882 /nfs/dbraw/zinc/36/58/82/851365882.db2.gz DWVUPHCPOWUSSN-RCOVLWMOSA-N -1 3 385.239 3.995 20 30 GHEDHM C=CCC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436943917 852526363 /nfs/dbraw/zinc/52/63/63/852526363.db2.gz HSCCWJMHGRFLGA-FQEVSTJZSA-N -1 3 380.488 3.972 20 30 GHEDHM COC(=O)COc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000517306203 853640631 /nfs/dbraw/zinc/64/06/31/853640631.db2.gz NCPDRUFLHHLNHZ-QGZVFWFLSA-N -1 3 392.436 3.852 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000055671592 854051086 /nfs/dbraw/zinc/05/10/86/854051086.db2.gz SLBFLZXOJLZNPN-ZDUSSCGKSA-N -1 3 391.393 3.692 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000134176169 862878383 /nfs/dbraw/zinc/87/83/83/862878383.db2.gz GIGJXAJXCMVPDG-HNNXBMFYSA-N -1 3 379.504 3.667 20 30 GHEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485941923 857233682 /nfs/dbraw/zinc/23/36/82/857233682.db2.gz QZLIPKFQXOVILL-AWEZNQCLSA-N -1 3 388.798 3.836 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 ZINC000592673665 857974954 /nfs/dbraw/zinc/97/49/54/857974954.db2.gz IVGIQAPBWQPBLB-INIZCTEOSA-N -1 3 389.459 3.653 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnc(-c4ncccn4)s3)sc2C1 ZINC000522187835 858788339 /nfs/dbraw/zinc/78/83/39/858788339.db2.gz VZJXNGMOWIIMJX-SNVBAGLBSA-N -1 3 381.486 3.910 20 30 GHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc2[C@@H](C)C1 ZINC000593166449 858866552 /nfs/dbraw/zinc/86/65/52/858866552.db2.gz XIBCQCYRPUEEIN-ZJUUUORDSA-N -1 3 378.475 3.554 20 30 GHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cc(F)c(OC)cc1F ZINC000543210227 858898048 /nfs/dbraw/zinc/89/80/48/858898048.db2.gz CESSOIHCYLKHCQ-ZDUSSCGKSA-N -1 3 396.397 3.997 20 30 GHEDHM CCCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483231598 859243078 /nfs/dbraw/zinc/24/30/78/859243078.db2.gz RKGWHEOJBXJQGC-GOSISDBHSA-N -1 3 386.455 3.992 20 30 GHEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000611114437 859611514 /nfs/dbraw/zinc/61/15/14/859611514.db2.gz OLFKHWUMLHJNFI-JTQLQIEISA-N -1 3 399.232 3.684 20 30 GHEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000123729149 860058386 /nfs/dbraw/zinc/05/83/86/860058386.db2.gz MIFHLFWFESNLRJ-CQSZACIVSA-N -1 3 390.333 3.808 20 30 GHEDHM Cc1cc(NC(=O)[C@H](C)SCC(=O)N([O-])Cc2cccc3ccccc32)no1 ZINC000904171065 860200302 /nfs/dbraw/zinc/20/03/02/860200302.db2.gz QQGMPLJSBZUXLU-AWEZNQCLSA-N -1 3 399.472 3.614 20 30 GHEDHM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904189982 860215703 /nfs/dbraw/zinc/21/57/03/860215703.db2.gz DYSGLQKLNNHDIP-UHFFFAOYSA-N -1 3 375.778 3.676 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(SCC)nc2)C1=O ZINC000727847736 860295532 /nfs/dbraw/zinc/29/55/32/860295532.db2.gz SMIBVELCSMCDCY-LJQANCHMSA-N -1 3 392.525 3.509 20 30 GHEDHM N#CCC[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000603040668 860452433 /nfs/dbraw/zinc/45/24/33/860452433.db2.gz BANQTCVFDDIUTM-CYBMUJFWSA-N -1 3 385.777 3.687 20 30 GHEDHM N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc([O-])c(F)c3)c2)c1 ZINC000132656858 881541315 /nfs/dbraw/zinc/54/13/15/881541315.db2.gz MNGDSAQYDSRCKQ-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3CCCCCC3)no2)ccc1F ZINC000904680305 860547511 /nfs/dbraw/zinc/54/75/11/860547511.db2.gz TUUAROKADWOQBG-UHFFFAOYSA-N -1 3 379.457 3.778 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(C)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528568 860900323 /nfs/dbraw/zinc/90/03/23/860900323.db2.gz VFZVIZLYMQYZQF-UHFFFAOYSA-N -1 3 396.834 3.958 20 30 GHEDHM CC(=NNC(=S)NCc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000730563186 861171264 /nfs/dbraw/zinc/17/12/64/861171264.db2.gz WGGPDJBCOPWFJT-UHFFFAOYSA-N -1 3 396.285 3.682 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cnn(Cc3ccc(F)cc3)c2)c(OC)cc1[O-] ZINC000187213233 863292233 /nfs/dbraw/zinc/29/22/33/863292233.db2.gz BRUGSKRSVBTCCE-VMPITWQZSA-N -1 3 382.391 3.689 20 30 GHEDHM CC(C)CCN(CCC#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444184578 863621320 /nfs/dbraw/zinc/62/13/20/863621320.db2.gz OTDHTSXGICRGTN-UHFFFAOYSA-N -1 3 390.281 3.693 20 30 GHEDHM Cc1ccc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(=O)[nH]1 ZINC000062676430 863730798 /nfs/dbraw/zinc/73/07/98/863730798.db2.gz OYWJRYOGSYQHCK-LLVKDONJSA-N -1 3 377.347 3.802 20 30 GHEDHM COc1ccc(C2(C/N=C\c3c([O-])c(C)ncc3CO)CCCCC2)cc1OC ZINC000733903786 863844489 /nfs/dbraw/zinc/84/44/89/863844489.db2.gz QTEAIVGDKXJFNI-CFRMEGHHSA-N -1 3 398.503 3.926 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC2(c3cccc(Br)c3)CC2)c1[O-] ZINC000734303256 864136719 /nfs/dbraw/zinc/13/67/19/864136719.db2.gz IVNVFYCAKXLFHJ-UKWGHVSLSA-N -1 3 375.266 3.501 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1[O-] ZINC000734752280 864418917 /nfs/dbraw/zinc/41/89/17/864418917.db2.gz CTPVSFOIBQEATM-NDEPHWFRSA-N -1 3 394.496 3.787 20 30 GHEDHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736329792 865182287 /nfs/dbraw/zinc/18/22/87/865182287.db2.gz VKHFYYKPVHCMBM-BMGYJQCNSA-N -1 3 388.431 3.568 20 30 GHEDHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736329792 865182291 /nfs/dbraw/zinc/18/22/91/865182291.db2.gz VKHFYYKPVHCMBM-BMGYJQCNSA-N -1 3 388.431 3.568 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccc2ccccc2n1 ZINC000741458837 866529517 /nfs/dbraw/zinc/52/95/17/866529517.db2.gz YMSOVLQLJXJPEA-GOSISDBHSA-N -1 3 389.440 3.510 20 30 GHEDHM Cc1c(I)cccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374610 882030473 /nfs/dbraw/zinc/03/04/73/882030473.db2.gz NJFROWDBCFYEJI-UHFFFAOYSA-N -1 3 385.176 3.770 20 30 GHEDHM N#C[C@]1(c2ccccn2)CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857303823 882190069 /nfs/dbraw/zinc/19/00/69/882190069.db2.gz ORMHOMLCNZDHOG-GOSISDBHSA-N -1 3 375.350 3.504 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2cn(C(C)C)nc2c1 ZINC000524841097 869662077 /nfs/dbraw/zinc/66/20/77/869662077.db2.gz ZPBLIMISFNKRAK-UHFFFAOYSA-N -1 3 377.448 3.778 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)ccc1C#N ZINC000766546459 871048065 /nfs/dbraw/zinc/04/80/65/871048065.db2.gz FUMJAAIGILOQJO-UHFFFAOYSA-N -1 3 387.530 3.529 20 30 GHEDHM C[C@@](C#N)([N-]c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC001169391460 871463489 /nfs/dbraw/zinc/46/34/89/871463489.db2.gz YLVYJSRUQDTMGG-INIZCTEOSA-N -1 3 379.825 3.503 20 30 GHEDHM COc1ccc2c(c1)C[C@@H](C)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]2C ZINC000541000047 872717346 /nfs/dbraw/zinc/71/73/46/872717346.db2.gz BXMFRHPKJKDDHV-CJNGLKHVSA-N -1 3 393.487 3.751 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC001196487323 873131034 /nfs/dbraw/zinc/13/10/34/873131034.db2.gz AMAFWDBBTQSDRB-UHFFFAOYSA-N -1 3 391.424 3.845 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1Br ZINC001197310894 873699559 /nfs/dbraw/zinc/69/95/59/873699559.db2.gz OAORKNFDCLHNPI-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(=O)N([O-])C(=N)c2ccccc2N)c1 ZINC001197475315 873826499 /nfs/dbraw/zinc/82/64/99/873826499.db2.gz JUBYMTIFPRBWBH-CYBMUJFWSA-N -1 3 398.463 3.711 20 30 GHEDHM CON=Cc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000770284275 874568564 /nfs/dbraw/zinc/56/85/64/874568564.db2.gz RUQSWBFUWDGDGT-LLVKDONJSA-N -1 3 385.445 3.912 20 30 GHEDHM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)c2cc(Br)ccc2n1 ZINC001198820627 874649316 /nfs/dbraw/zinc/64/93/16/874649316.db2.gz LHFQIFWGKIHGJV-UHFFFAOYSA-N -1 3 399.248 3.745 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCCCC3)c2)cc1 ZINC000772641770 876058695 /nfs/dbraw/zinc/05/86/95/876058695.db2.gz UADXKKIYNVGLDH-IBGZPJMESA-N -1 3 393.443 3.763 20 30 GHEDHM CCOC(=O)[C@H](CCOC(C)(C)C)/N=C\c1cc(Br)ccc1[O-] ZINC000776256081 876066788 /nfs/dbraw/zinc/06/67/88/876066788.db2.gz ALYVZVLPPIQTGN-KVMVOAJRSA-N -1 3 386.286 3.711 20 30 GHEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)c2cc3occc3[n-]2)c1C#N ZINC000786030646 876416710 /nfs/dbraw/zinc/41/67/10/876416710.db2.gz UVHVMQIJYVKGTE-UHFFFAOYSA-N -1 3 394.431 3.962 20 30 GHEDHM N#CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000476761496 883038206 /nfs/dbraw/zinc/03/82/06/883038206.db2.gz IXVMTMUEFFWVFS-UHFFFAOYSA-N -1 3 384.244 3.646 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cccc(I)c2)ccc1[O-] ZINC000789129497 878614726 /nfs/dbraw/zinc/61/47/26/878614726.db2.gz FSVLTRQJNNZGGU-ALCCZGGFSA-N -1 3 380.181 3.902 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(-c2cccc(F)c2F)o1 ZINC000790159519 879498492 /nfs/dbraw/zinc/49/84/92/879498492.db2.gz IKXYSKVVLPXDSD-UHFFFAOYSA-N -1 3 376.384 3.678 20 30 GHEDHM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000791771271 880670241 /nfs/dbraw/zinc/67/02/41/880670241.db2.gz KCIWAKGMUWRBHK-OAHLLOKOSA-N -1 3 384.819 3.851 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccc1F ZINC000914460368 883266909 /nfs/dbraw/zinc/26/69/09/883266909.db2.gz NLQFLTSWHMPLMW-UHFFFAOYSA-N -1 3 396.871 3.813 20 30 GHEDHM COc1ccc(C(=O)Nc2cc(F)ccc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000102595608 883762935 /nfs/dbraw/zinc/76/29/35/883762935.db2.gz UZXIKDIMEGJGQM-SFHVURJKSA-N -1 3 389.386 3.972 20 30 GHEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cnc3ccccc32)cc1 ZINC000475789701 883830065 /nfs/dbraw/zinc/83/00/65/883830065.db2.gz MODIKTXLZGHQDQ-UHFFFAOYSA-N -1 3 388.452 3.892 20 30 GHEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275237659 912787236 /nfs/dbraw/zinc/78/72/36/912787236.db2.gz ZAGOLXFJAAPOQN-HZPDHXFCSA-N -1 3 382.291 3.568 20 30 GHEDHM C=CCCO[C@@H](C)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556328608 884488779 /nfs/dbraw/zinc/48/87/79/884488779.db2.gz GJJXVRUFUHOENP-JTQLQIEISA-N -1 3 390.241 3.938 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3ccccc3C(F)(F)F)CCOCC2)ccc1[O-] ZINC001184049070 912984990 /nfs/dbraw/zinc/98/49/90/912984990.db2.gz RFNYYBSWJKAAQA-UHFFFAOYSA-N -1 3 390.361 3.970 20 30 GHEDHM CC(C)[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001184235711 913092953 /nfs/dbraw/zinc/09/29/53/913092953.db2.gz NGONIMLFOBQOHK-IIYDPXPESA-N -1 3 389.323 3.845 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c(F)cc1OC ZINC000863186827 886909681 /nfs/dbraw/zinc/90/96/81/886909681.db2.gz NJBNSSZEUKXCOC-SREVYHEPSA-N -1 3 376.380 3.852 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c(OC)cc1[O-] ZINC000763106939 887670031 /nfs/dbraw/zinc/67/00/31/887670031.db2.gz SIXJCYDMRCPSBG-AATRIKPKSA-N -1 3 378.808 3.976 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc3c(cc2OC(F)F)OCO3)c(OC)cc1[O-] ZINC000763107199 887670576 /nfs/dbraw/zinc/67/05/76/887670576.db2.gz WYDHBVLRFZBYHR-ONEGZZNKSA-N -1 3 394.326 3.636 20 30 GHEDHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000173545403 887766627 /nfs/dbraw/zinc/76/66/27/887766627.db2.gz HBSPMXXWDUWMHL-YJYMSZOUSA-N -1 3 381.476 3.697 20 30 GHEDHM CC(C)Cc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cn1 ZINC000901145040 888425067 /nfs/dbraw/zinc/42/50/67/888425067.db2.gz ZWRMFKCFEJYXSZ-SFHVURJKSA-N -1 3 395.488 3.555 20 30 GHEDHM CC(=NNc1ccc(Cl)c(F)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000747636862 888892607 /nfs/dbraw/zinc/89/26/07/888892607.db2.gz VDUMNPFETSAABZ-UHFFFAOYSA-N -1 3 377.847 3.853 20 30 GHEDHM Cc1cc(C)c(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1C ZINC000916321348 888922400 /nfs/dbraw/zinc/92/24/00/888922400.db2.gz WASJPUFZMWNGLI-GOSISDBHSA-N -1 3 380.473 3.887 20 30 GHEDHM COC(=O)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000811187039 889271318 /nfs/dbraw/zinc/27/13/18/889271318.db2.gz IBNXTJGGUJBLOL-HNNXBMFYSA-N -1 3 380.183 3.642 20 30 GHEDHM COc1ccc(Nc2nc(COC(=O)c3cc([O-])cc(C#N)c3)cs2)cc1 ZINC000811184822 889271776 /nfs/dbraw/zinc/27/17/76/889271776.db2.gz UDGOSHNKUOBXIX-UHFFFAOYSA-N -1 3 381.413 3.830 20 30 GHEDHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000173616581 890200909 /nfs/dbraw/zinc/20/09/09/890200909.db2.gz LAWFIBUUAPEYDZ-VBKZILBWSA-N -1 3 395.503 3.951 20 30 GHEDHM CC(C)C[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC001184825690 913464776 /nfs/dbraw/zinc/46/47/76/913464776.db2.gz JUTMBOGXXCEDKO-ZDUSSCGKSA-N -1 3 379.707 3.709 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(OCc3ccccn3)c2)c1[O-] ZINC000917558929 892167097 /nfs/dbraw/zinc/16/70/97/892167097.db2.gz CVSNDBPTOUVLIJ-HURLIOHXSA-N -1 3 377.444 3.742 20 30 GHEDHM Cc1sc2ncn([N-]C(=O)c3sc4ccc(C#N)cc4c3C)c(=O)c2c1C ZINC000814257837 892437541 /nfs/dbraw/zinc/43/75/41/892437541.db2.gz CGUSICSRGBBMBX-UHFFFAOYSA-N -1 3 394.481 3.854 20 30 GHEDHM CC(C)(C)c1[n-]n(C[C@H]2CN(Cc3ccccc3)CCCO2)c(=O)c1CCC#N ZINC000289354995 914157182 /nfs/dbraw/zinc/15/71/82/914157182.db2.gz HTUBJSWDGLBPSZ-LJQANCHMSA-N -1 3 396.535 3.633 20 30 GHEDHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000800045664 898532232 /nfs/dbraw/zinc/53/22/32/898532232.db2.gz ATRCGRBPCXYFBV-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000113096755 898960194 /nfs/dbraw/zinc/96/01/94/898960194.db2.gz YNGNBLGJTUVQBT-UHFFFAOYSA-N -1 3 378.259 3.766 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823894488 899309171 /nfs/dbraw/zinc/30/91/71/899309171.db2.gz RJGVIHZPIQQRQB-AWEZNQCLSA-N -1 3 381.436 3.513 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2c1cccc2C(C)(C)C ZINC000332154113 899440420 /nfs/dbraw/zinc/44/04/20/899440420.db2.gz OMTUGCQZFTXESK-UHFFFAOYSA-N -1 3 393.487 3.931 20 30 GHEDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000778764314 899490627 /nfs/dbraw/zinc/49/06/27/899490627.db2.gz LNWDUXBIKCAVKY-CQSZACIVSA-N -1 3 383.404 3.729 20 30 GHEDHM C[C@H](Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662020 899750372 /nfs/dbraw/zinc/75/03/72/899750372.db2.gz AGTMZSQXZSPYFB-LBPRGKRZSA-N -1 3 390.838 3.751 20 30 GHEDHM C[C@H](Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662020 899750387 /nfs/dbraw/zinc/75/03/87/899750387.db2.gz AGTMZSQXZSPYFB-LBPRGKRZSA-N -1 3 390.838 3.751 20 30 GHEDHM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400392 899768822 /nfs/dbraw/zinc/76/88/22/899768822.db2.gz YEWPOWPTXSUAPR-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400392 899768828 /nfs/dbraw/zinc/76/88/28/899768828.db2.gz YEWPOWPTXSUAPR-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM CCCCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1Cl ZINC000825301261 900078698 /nfs/dbraw/zinc/07/86/98/900078698.db2.gz KWERPJDOZJYDAL-BQYQJAHWSA-N -1 3 388.834 3.860 20 30 GHEDHM CCCCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1Cl ZINC000825301261 900078707 /nfs/dbraw/zinc/07/87/07/900078707.db2.gz KWERPJDOZJYDAL-BQYQJAHWSA-N -1 3 388.834 3.860 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000573853438 900666445 /nfs/dbraw/zinc/66/64/45/900666445.db2.gz LZUGOYLUDVTXNH-UHFFFAOYSA-N -1 3 381.413 3.555 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1Cl ZINC000826475694 900872056 /nfs/dbraw/zinc/87/20/56/900872056.db2.gz NQIBEKTVHUMBKZ-XYOKQWHBSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1Cl ZINC000826475694 900872059 /nfs/dbraw/zinc/87/20/59/900872059.db2.gz NQIBEKTVHUMBKZ-XYOKQWHBSA-N -1 3 381.779 3.641 20 30 GHEDHM COc1cc(C/N=C/c2c([O-])c(C)ncc2CO)ccc1OCc1ccccc1 ZINC000005111133 914545893 /nfs/dbraw/zinc/54/58/93/914545893.db2.gz CPUDXMLUVLXAFO-ZMOGYAJESA-N -1 3 392.455 3.795 20 30 GHEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccc2c(c1)OCO2 ZINC000845835361 902445660 /nfs/dbraw/zinc/44/56/60/902445660.db2.gz AHAARXPDNJHGLD-ZKKXHLJNSA-N -1 3 379.437 3.961 20 30 GHEDHM CCOc1cccc2c1OCC(C([O-])=C(C#N)C(=O)C1(c3ccccc3)CC1)=C2 ZINC000845838844 902454860 /nfs/dbraw/zinc/45/48/60/902454860.db2.gz PUZWYIGQXRJTGZ-IBGZPJMESA-N -1 3 387.435 3.871 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005165149 914657252 /nfs/dbraw/zinc/65/72/52/914657252.db2.gz HZCAFQZHNCQCBQ-LRYXAPPNSA-N -1 3 381.520 3.517 20 30 GHEDHM Cc1ccc(C)n1-c1ccc([O-])c(C(=O)Nc2nc3ncccc3cc2C#N)c1 ZINC001186829194 914839391 /nfs/dbraw/zinc/83/93/91/914839391.db2.gz JZCLNQDCBOLYHY-UHFFFAOYSA-N -1 3 383.411 3.867 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000174453816 905275290 /nfs/dbraw/zinc/27/52/90/905275290.db2.gz DPTCXWHKDIEQPX-LRTDBIEQSA-N -1 3 381.451 3.545 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1[C@@H](C)C1CC1 ZINC000777304099 905723834 /nfs/dbraw/zinc/72/38/34/905723834.db2.gz MDJIOSVDMQSUSL-SMDDNHRTSA-N -1 3 388.830 3.916 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N3CCCCC3)cc2)n1 ZINC000777309522 905861044 /nfs/dbraw/zinc/86/10/44/905861044.db2.gz MDZLFVNKLURTFW-MRXNPFEDSA-N -1 3 383.473 3.800 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)ccc1Cl ZINC001174404308 907042848 /nfs/dbraw/zinc/04/28/48/907042848.db2.gz LHJCMSNKNFOHCY-UHFFFAOYSA-N -1 3 376.652 3.901 20 30 GHEDHM N#Cc1ccc(N2CCC[C@@H](/N=C\c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000779708420 908225292 /nfs/dbraw/zinc/22/52/92/908225292.db2.gz WPPYDDGNGUCLFB-MTEVNVADSA-N -1 3 398.260 3.641 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cn1 ZINC000774045228 911281486 /nfs/dbraw/zinc/28/14/86/911281486.db2.gz YJAMZASYVOCZTR-SFHVURJKSA-N -1 3 379.460 3.955 20 30 GHEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1c(Cl)cc(F)cc1Cl ZINC000774396976 911708557 /nfs/dbraw/zinc/70/85/57/911708557.db2.gz UJDNWVJWFMUKDM-UHFFFAOYSA-N -1 3 387.129 3.948 20 30 GHEDHM C#CCOc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001187012599 914942116 /nfs/dbraw/zinc/94/21/16/914942116.db2.gz WHZAGSFXOGFNRJ-UHFFFAOYSA-N -1 3 388.247 3.623 20 30 GHEDHM CCCCCCCCn1nc(C)c(S(=O)(=O)[N-]c2ccncc2F)c1C ZINC000775170643 916019664 /nfs/dbraw/zinc/01/96/64/916019664.db2.gz OYXIZXRDZJRJDS-UHFFFAOYSA-N -1 3 382.505 3.617 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)cc1C(F)(F)F ZINC001189075899 916392857 /nfs/dbraw/zinc/39/28/57/916392857.db2.gz NWQWGXHSZMJBCA-UHFFFAOYSA-N -1 3 389.786 3.610 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2Cl)c1 ZINC001190610691 917445793 /nfs/dbraw/zinc/44/57/93/917445793.db2.gz ASRAZEWUAZIICQ-UHFFFAOYSA-N -1 3 377.199 3.622 20 30 GHEDHM O=C([C@@H](c1ccccc1F)N1CCOCC1)N([O-])Cc1cccc2ccccc21 ZINC000900091963 919834294 /nfs/dbraw/zinc/83/42/94/919834294.db2.gz UTZATYXEOIEGDA-JOCHJYFZSA-N -1 3 394.446 3.770 20 30 GHEDHM O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N([O-])Cc1cccc2ccccc21 ZINC000901369896 921046813 /nfs/dbraw/zinc/04/68/13/921046813.db2.gz JDAZMBRLHFZLDL-HXUWFJFHSA-N -1 3 378.403 3.750 20 30 GHEDHM COc1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)c(Br)c1 ZINC000901373090 921049462 /nfs/dbraw/zinc/04/94/62/921049462.db2.gz SFDKBADTIYLYTO-UHFFFAOYSA-N -1 3 382.229 3.947 20 30 GHEDHM CN1C(=O)CCc2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)ccc21 ZINC000901379236 921056906 /nfs/dbraw/zinc/05/69/06/921056906.db2.gz SQRFFGAQIMNCBK-UHFFFAOYSA-N -1 3 379.243 3.934 20 30 GHEDHM COC(=O)c1cc2c(o1)c(OC)ccc2/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000748997633 923978994 /nfs/dbraw/zinc/97/89/94/923978994.db2.gz GFNINCUPFWQYKN-DAXSKMNVSA-N -1 3 382.368 3.838 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(C2CCCCC2)n1 ZINC000796637048 926380085 /nfs/dbraw/zinc/38/00/85/926380085.db2.gz SFUIOBULSFQRDO-INIZCTEOSA-N -1 3 380.448 3.748 20 30 GHEDHM Cc1ccc(NC(=O)C2(C/N=C/c3c([O-])c(C)ncc3CO)CCCC2)cc1C ZINC000749846688 927311360 /nfs/dbraw/zinc/31/13/60/927311360.db2.gz ZOPFLRUYSRWCEK-WYMPLXKRSA-N -1 3 395.503 3.823 20 30 GHEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@]1(C#N)CCc2ccccc2C1 ZINC000546020240 929779942 /nfs/dbraw/zinc/77/99/42/929779942.db2.gz URFGZBQKFDUCNY-FQEVSTJZSA-N -1 3 384.432 3.610 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(COc2ccc(Cl)cc2)no1 ZINC000546407860 930133973 /nfs/dbraw/zinc/13/39/73/930133973.db2.gz DJPCFHDDDICUSV-UHFFFAOYSA-N -1 3 384.823 3.676 20 30 GHEDHM C=CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000469882134 930232082 /nfs/dbraw/zinc/23/20/82/930232082.db2.gz WUJNRSINUFWVNL-UHFFFAOYSA-N -1 3 376.453 3.583 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1cccc(F)c1 ZINC000759236343 930316756 /nfs/dbraw/zinc/31/67/56/930316756.db2.gz QFBSSZTVQWIGIP-ROJDOSBLSA-N -1 3 382.391 3.552 20 30 GHEDHM N#CC(=C([O-])c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncn1 ZINC000546860207 930494894 /nfs/dbraw/zinc/49/48/94/930494894.db2.gz IAPXYXHSKHZGHC-MRXNPFEDSA-N -1 3 376.803 3.872 20 30 GHEDHM N#Cc1ccsc1[N-]C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000797410201 932274077 /nfs/dbraw/zinc/27/40/77/932274077.db2.gz ARQYIXVIAYXROD-UHFFFAOYSA-N -1 3 378.450 3.727 20 30 GHEDHM O=C([C@@H]1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1)N1CCCCC1 ZINC000797785269 932406952 /nfs/dbraw/zinc/40/69/52/932406952.db2.gz YECMWLWOEUBPJK-XJDKQWTLSA-N -1 3 379.298 3.755 20 30 GHEDHM Cc1nn(C)c(C)c1C=Nn1c(-c2ccc(O)cc2[O-])csc1=NC(C)(C)C ZINC001115823912 933212746 /nfs/dbraw/zinc/21/27/46/933212746.db2.gz ATCHPJSXLFJEQK-UHFFFAOYSA-N -1 3 399.520 3.560 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1[O-] ZINC000777873306 933820292 /nfs/dbraw/zinc/82/02/92/933820292.db2.gz LDQPKQIMNLYCOI-WGHCDHDESA-N -1 3 380.275 3.593 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CCOC)c1[O-] ZINC001122270953 934851532 /nfs/dbraw/zinc/85/15/32/934851532.db2.gz QEJYYEAEVSXYQP-UHFFFAOYSA-N -1 3 392.450 3.651 20 30 GHEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@H](C)CC2 ZINC001573290161 946898160 /nfs/dbraw/zinc/89/81/60/946898160.db2.gz FZSUEJOGUVOOTO-OLZOCXBDSA-N -1 3 391.500 3.777 20 30 GHEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@H](C)CC2 ZINC001573290161 946898168 /nfs/dbraw/zinc/89/81/68/946898168.db2.gz FZSUEJOGUVOOTO-OLZOCXBDSA-N -1 3 391.500 3.777 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@H](C)CC2 ZINC001573294291 946983927 /nfs/dbraw/zinc/98/39/27/946983927.db2.gz AMKCZPLPMXUZQW-YRORDHRNSA-N -1 3 387.509 3.534 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@H](C)CC2 ZINC001573294291 946983935 /nfs/dbraw/zinc/98/39/35/946983935.db2.gz AMKCZPLPMXUZQW-YRORDHRNSA-N -1 3 387.509 3.534 20 30 GHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001573330045 947430478 /nfs/dbraw/zinc/43/04/78/947430478.db2.gz SMQQARDRRQJGSG-YPMHNXCESA-N -1 3 392.410 3.725 20 30 GHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001573330045 947430487 /nfs/dbraw/zinc/43/04/87/947430487.db2.gz SMQQARDRRQJGSG-YPMHNXCESA-N -1 3 392.410 3.725 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001573335481 947480997 /nfs/dbraw/zinc/48/09/97/947480997.db2.gz PFSPZJDXCJORNW-JKSUJKDBSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001573335481 947481004 /nfs/dbraw/zinc/48/10/04/947481004.db2.gz PFSPZJDXCJORNW-JKSUJKDBSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CC1CCCCC1 ZINC001573341159 947527241 /nfs/dbraw/zinc/52/72/41/947527241.db2.gz JFNVGTISOHSRFO-MRXNPFEDSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CC1CCCCC1 ZINC001573341159 947527255 /nfs/dbraw/zinc/52/72/55/947527255.db2.gz JFNVGTISOHSRFO-MRXNPFEDSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCn1c(SCc2ccc(-c3nnn[n-]3)s2)nnc1-c1ccc(F)cc1 ZINC001573347718 947576129 /nfs/dbraw/zinc/57/61/29/947576129.db2.gz GXVXEOZSVODTAK-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001575868830 949467326 /nfs/dbraw/zinc/46/73/26/949467326.db2.gz PHDBGRMSZUEHFN-HTRCEHHLSA-N -1 3 383.271 3.802 20 30 GHEDHM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001575868830 949467333 /nfs/dbraw/zinc/46/73/33/949467333.db2.gz PHDBGRMSZUEHFN-HTRCEHHLSA-N -1 3 383.271 3.802 20 30 GHEDHM CC(C)(C)c1ccc(C#N)c(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001573881442 950755174 /nfs/dbraw/zinc/75/51/74/950755174.db2.gz FDQXGNVTWCRFGP-UHFFFAOYSA-N -1 3 387.491 3.815 20 30 GHEDHM CC(C)(CNC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1c[nH]c2ccccc21 ZINC001154561078 1032182558 /nfs/dbraw/zinc/18/25/58/1032182558.db2.gz UPJSQFMEUVDGIN-UHFFFAOYSA-N -1 3 384.439 3.589 20 30 GHEDHM N#Cc1ccc2[n-]c(C(=O)N[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3c3ccccc3)cc(=O)c2c1 ZINC001154560466 1032182895 /nfs/dbraw/zinc/18/28/95/1032182895.db2.gz KNXHJRFJWSHMRE-VQDLLJBESA-N -1 3 383.451 3.712 20 30 GHEDHM Cc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc(N2CCCC2)n1 ZINC001155909318 1032784796 /nfs/dbraw/zinc/78/47/96/1032784796.db2.gz MNEFMJHSRCBEHL-UHFFFAOYSA-N -1 3 381.358 3.532 20 30 GHEDHM [O-]N=C(Nc1cncc(N2CCCCC2)n1)c1ccc(OC(F)(F)F)cc1 ZINC001155914343 1032791844 /nfs/dbraw/zinc/79/18/44/1032791844.db2.gz NAHJZEMHBXEEFT-UHFFFAOYSA-N -1 3 381.358 3.613 20 30 GHEDHM COC(=O)[C@H](Oc1ccccc1N=CC=Nc1ccccc1[O-])C(F)(F)F ZINC001228124416 1032798091 /nfs/dbraw/zinc/79/80/91/1032798091.db2.gz KHTDWCYUBCMAFU-INIZCTEOSA-N -1 3 380.322 3.980 20 30 GHEDHM N#Cc1ccnc(N2CCC(Oc3cc(C(=O)c4ccccc4)ccc3[O-])CC2)c1 ZINC001228156197 1032813289 /nfs/dbraw/zinc/81/32/89/1032813289.db2.gz YVFRCONGMOQIIQ-UHFFFAOYSA-N -1 3 399.450 3.938 20 30 GHEDHM COc1cc(/C=C/C(=O)c2nnn(-c3ccc(F)cc3)c2C)cc(Cl)c1[O-] ZINC000194316128 1020965322 /nfs/dbraw/zinc/96/53/22/1020965322.db2.gz QMYZPGDLFRDSQA-FPYGCLRLSA-N -1 3 387.798 3.979 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OCCOC)c2)cc1 ZINC000802041748 1021470539 /nfs/dbraw/zinc/47/05/39/1021470539.db2.gz DPBIWGSQLFKAKM-FOIQADDNSA-N -1 3 395.459 3.581 20 30 GHEDHM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC001141380611 1024788919 /nfs/dbraw/zinc/78/89/19/1024788919.db2.gz WFUXWQVYLXADKS-OAHLLOKOSA-N -1 3 376.865 3.520 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C)c2ccc(NC(C)=O)cc2)n1 ZINC001163150453 1026067108 /nfs/dbraw/zinc/06/71/08/1026067108.db2.gz WMFUGBVDFCNQNS-ZBPACCJBSA-N -1 3 379.873 3.792 20 30 GHEDHM CSc1c[nH]c2ncnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c12 ZINC001163765214 1026308018 /nfs/dbraw/zinc/30/80/18/1026308018.db2.gz ORGHPWSOLBFTSI-UHFFFAOYSA-N -1 3 383.355 3.826 20 30 GHEDHM O=C1c2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ccc2CN1C1CC1 ZINC001163769223 1026310398 /nfs/dbraw/zinc/31/03/98/1026310398.db2.gz SQJFXFPXEFXHET-UHFFFAOYSA-N -1 3 391.349 3.951 20 30 GHEDHM COCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1cccc(C(F)(F)F)c1 ZINC000840708880 1027750560 /nfs/dbraw/zinc/75/05/60/1027750560.db2.gz JLJNEUSIPDSHEH-JZHPBVHJSA-N -1 3 382.382 3.803 20 30 GHEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001213333098 1028115603 /nfs/dbraw/zinc/11/56/03/1028115603.db2.gz FAGLXDXZDHLGRG-UHFFFAOYSA-N -1 3 380.388 3.884 20 30 GHEDHM N#Cc1ccc([N-]c2nc3c(Br)ccc(C(F)(F)F)n3n2)c(N)c1 ZINC001213355758 1028132575 /nfs/dbraw/zinc/13/25/75/1028132575.db2.gz UVLAKIDXOOAIGY-UHFFFAOYSA-N -1 3 397.158 3.708 20 30 GHEDHM C[C@@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C1 ZINC000842684726 1029491902 /nfs/dbraw/zinc/49/19/02/1029491902.db2.gz JOCVCDRYCAYVLS-PWSUYJOCSA-N -1 3 391.258 3.733 20 30 GHEDHM Cc1nc2ccc(COC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2s1 ZINC000842859576 1029637501 /nfs/dbraw/zinc/63/75/01/1029637501.db2.gz NUARVLDONYPZBY-UHFFFAOYSA-N -1 3 381.457 3.870 20 30 GHEDHM N#Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1OC1CCOCC1 ZINC001216665770 1029722540 /nfs/dbraw/zinc/72/25/40/1029722540.db2.gz FCXYXRVFQVPFQY-UHFFFAOYSA-N -1 3 376.416 3.751 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2c(C(=O)Nc3ccc([O-])c(C#N)c3)csc2C1 ZINC001150821641 1030672919 /nfs/dbraw/zinc/67/29/19/1030672919.db2.gz GIPGYHYFHLVOTF-UHFFFAOYSA-N -1 3 399.472 3.871 20 30 GHEDHM CCOC(=O)C[C@@H](CC#N)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226488043 1031979182 /nfs/dbraw/zinc/97/91/82/1031979182.db2.gz BLHGECGZQUBOOH-OAHLLOKOSA-N -1 3 393.395 3.780 20 30 GHEDHM C#C[C@H](CC)NC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001205658523 1033514660 /nfs/dbraw/zinc/51/46/60/1033514660.db2.gz IMEJJYOBSNECGX-MRXNPFEDSA-N -1 3 385.489 3.638 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(c3cccc(O)c3)CC2)n1 ZINC001157572423 1033665247 /nfs/dbraw/zinc/66/52/47/1033665247.db2.gz XIFMAGYJFGOUGM-VXLYETTFSA-N -1 3 378.885 3.750 20 30 GHEDHM CCN1CC[C@H](Oc2c(OC)c(OC)cc([O-])c2C(=O)/C=C/c2ccccc2)C1 ZINC001230439545 1034057902 /nfs/dbraw/zinc/05/79/02/1034057902.db2.gz FDWDJNQRKJWGNR-DVQDXYAYSA-N -1 3 397.471 3.779 20 30 GHEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N[C@@](C)(C#N)c1ccccc1Cl ZINC001158483591 1034101986 /nfs/dbraw/zinc/10/19/86/1034101986.db2.gz ZPPCPFZLWFZSAW-KRWDZBQOSA-N -1 3 390.230 3.902 20 30 GHEDHM [O-]c1ccc(CN2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc1C(F)(F)F ZINC001231524071 1034677447 /nfs/dbraw/zinc/67/74/47/1034677447.db2.gz LUIXBAMSSBQDHB-CHWSQXEVSA-N -1 3 375.284 3.638 20 30 GHEDHM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(C)cc(Br)c1[O-] ZINC001277540599 1034756422 /nfs/dbraw/zinc/75/64/22/1034756422.db2.gz OPHMVAOBRALUMI-LJQANCHMSA-N -1 3 393.325 3.606 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1Oc1ccccc1 ZINC001208923871 1035090863 /nfs/dbraw/zinc/09/08/63/1035090863.db2.gz KOXCEVIJFDTGNG-HNNXBMFYSA-N -1 3 379.441 3.785 20 30 GHEDHM COC(=O)c1c(Cl)cccc1-c1nc(/C=N/[O-])ccc1NC(=O)C(C)(C)C ZINC001245763949 1036990634 /nfs/dbraw/zinc/99/06/34/1036990634.db2.gz AJXDDIUPDGNKPX-UFFVCSGVSA-N -1 3 389.839 3.981 20 30 GHEDHM CCOc1cc(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)c(Cl)cn1 ZINC001245817826 1037010588 /nfs/dbraw/zinc/01/05/88/1037010588.db2.gz VITTXIUGXGHCIT-ZVBGSRNCSA-N -1 3 376.844 3.988 20 30 GHEDHM N#CCCCN1CC[C@]2(CCCN2Cc2cc(Cl)c(Cl)cc2[O-])C1=O ZINC001277829552 1039804944 /nfs/dbraw/zinc/80/49/44/1039804944.db2.gz GIRHDFIMSOCORV-GOSISDBHSA-N -1 3 382.291 3.570 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1F ZINC001254302653 1040155340 /nfs/dbraw/zinc/15/53/40/1040155340.db2.gz YDISXUNFNPPRSF-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCNC3)cc1 ZINC001237479482 1042227174 /nfs/dbraw/zinc/22/71/74/1042227174.db2.gz RCRBAMUYZLMLNP-UHFFFAOYSA-N -1 3 389.546 3.754 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(O)cc(C(F)(F)F)cc2Cl)cc1 ZINC001258132500 1044417441 /nfs/dbraw/zinc/41/74/41/1044417441.db2.gz LLPKITMKKAUOFF-UHFFFAOYSA-N -1 3 376.743 3.737 20 30 GHEDHM C[C@](C#N)([N-]S(=O)(=O)c1cccc(OC(F)F)c1)c1ccccc1Cl ZINC001259449278 1045165922 /nfs/dbraw/zinc/16/59/22/1045165922.db2.gz FPFNHYQDNWRTKU-MRXNPFEDSA-N -1 3 386.807 3.659 20 30 GHEDHM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)CCc2ccccc2F)nc1 ZINC001259787574 1045305250 /nfs/dbraw/zinc/30/52/50/1045305250.db2.gz FBADMRPUHNLQLY-UHFFFAOYSA-N -1 3 381.432 3.744 20 30 GHEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001260324044 1045461742 /nfs/dbraw/zinc/46/17/42/1045461742.db2.gz KGXHESKKYUAVTC-XQRVVYSFSA-N -1 3 395.708 3.672 20 30 GHEDHM CC[C@H](C)c1cccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001301069000 1046318502 /nfs/dbraw/zinc/31/85/02/1046318502.db2.gz AXOQFQQESRWPTJ-GJZGRUSLSA-N -1 3 399.516 3.656 20 30 GHEDHM N#Cc1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)cnc1C(F)(F)F ZINC001264772136 1047435604 /nfs/dbraw/zinc/43/56/04/1047435604.db2.gz ONEUVSVWRAPEFS-UHFFFAOYSA-N -1 3 381.364 3.804 20 30 GHEDHM N#Cc1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC001463340578 1070997043 /nfs/dbraw/zinc/99/70/43/1070997043.db2.gz BUTXXUTUCHCCEC-HNNXBMFYSA-N -1 3 390.333 3.808 20 30 GHEDHM O=C(NCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)OCc1ccccc1 ZINC001306893210 1048947854 /nfs/dbraw/zinc/94/78/54/1048947854.db2.gz LFFPICBMYYGTRB-UHFFFAOYSA-N -1 3 383.231 3.638 20 30 GHEDHM CCOC(=O)N1[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC[C@@H]1c1ccc(C)o1 ZINC001306899742 1048951459 /nfs/dbraw/zinc/95/14/59/1048951459.db2.gz AISGKTYKOMNINW-IAGOWNOFSA-N -1 3 390.411 3.807 20 30 GHEDHM N#Cc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001309594994 1050846417 /nfs/dbraw/zinc/84/64/17/1050846417.db2.gz NRURZXWRUVEUIZ-AWEZNQCLSA-N -1 3 382.272 3.616 20 30 GHEDHM CCCCCCC[C@@H](C)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001311642421 1052295336 /nfs/dbraw/zinc/29/53/36/1052295336.db2.gz BDMBJFDQTHRWEN-GOSISDBHSA-N -1 3 389.540 3.856 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1Cl ZINC001321450496 1056269225 /nfs/dbraw/zinc/26/92/25/1056269225.db2.gz NUXAMRGNTVPBES-UHFFFAOYSA-N -1 3 375.812 3.942 20 30 GHEDHM C#CCOc1ccc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1 ZINC001457165637 1062995171 /nfs/dbraw/zinc/99/51/71/1062995171.db2.gz YMLUEQATWUSGTQ-UHFFFAOYSA-N -1 3 378.457 3.670 20 30 GHEDHM CC(=O)N[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccc(F)cc1F ZINC001457994277 1063493332 /nfs/dbraw/zinc/49/33/32/1063493332.db2.gz PVRVXSZJUJRCGP-KRWDZBQOSA-N -1 3 382.794 3.604 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2scc3c2OCCO3)cc1 ZINC000847626285 1065782926 /nfs/dbraw/zinc/78/29/26/1065782926.db2.gz INPUOEBJDNLRJY-SWLSCSKDSA-N -1 3 384.457 3.994 20 30 GHEDHM C#C[C@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC001460796465 1069185330 /nfs/dbraw/zinc/18/53/30/1069185330.db2.gz YLYQOFOLWYBNEQ-INIZCTEOSA-N -1 3 386.789 3.639 20 30 GHEDHM CCCCC1CCC(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC001472618386 1073580014 /nfs/dbraw/zinc/58/00/14/1073580014.db2.gz RRLWMDOCFJENCL-UHFFFAOYSA-N -1 3 386.492 3.887 20 30 GHEDHM CN1CCN([C@@H](C(=O)N([O-])Cc2cccc3ccccc32)c2ccccc2)CC1 ZINC001472621908 1073581962 /nfs/dbraw/zinc/58/19/62/1073581962.db2.gz BBRHTMCNTKQSMD-HSZRJFAPSA-N -1 3 389.499 3.546 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001475666113 1074995929 /nfs/dbraw/zinc/99/59/29/1074995929.db2.gz GJCBXBVZPGLCAE-LLVKDONJSA-N -1 3 387.442 3.721 20 30 GHEDHM C[C@](Cc1ccc(F)cc1)(NCc1ccc(Br)cc1C#N)C(=O)[O-] ZINC001604222962 1126228714 /nfs/dbraw/zinc/22/87/14/1126228714.db2.gz QDMQRRYVMCUGEG-GOSISDBHSA-N -1 3 391.240 3.635 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1-c1nnn[n-]1 ZINC000737718648 598922168 /nfs/dbraw/zinc/92/21/68/598922168.db2.gz LJIFYYICESITNN-UHFFFAOYSA-N -1 3 394.438 3.776 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1-c1nn[n-]n1 ZINC000737718648 598922169 /nfs/dbraw/zinc/92/21/69/598922169.db2.gz LJIFYYICESITNN-UHFFFAOYSA-N -1 3 394.438 3.776 20 30 GHEDHM FC(F)Oc1ccc2ccccc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822737294 607254752 /nfs/dbraw/zinc/25/47/52/607254752.db2.gz TWXKHYKMDOXJBW-UHFFFAOYSA-N -1 3 394.385 3.745 20 30 GHEDHM FC(F)Oc1ccc2ccccc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822737294 607254753 /nfs/dbraw/zinc/25/47/53/607254753.db2.gz TWXKHYKMDOXJBW-UHFFFAOYSA-N -1 3 394.385 3.745 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000823504566 599112371 /nfs/dbraw/zinc/11/23/71/599112371.db2.gz RLKKPAJPHJAOGY-DHZHZOJOSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000823504566 599112374 /nfs/dbraw/zinc/11/23/74/599112374.db2.gz RLKKPAJPHJAOGY-DHZHZOJOSA-N -1 3 381.779 3.641 20 30 GHEDHM COc1ccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000737118913 599151200 /nfs/dbraw/zinc/15/12/00/599151200.db2.gz JLCXNHOPOZCODY-YCRREMRBSA-N -1 3 386.411 3.933 20 30 GHEDHM COc1ccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000737118913 599151202 /nfs/dbraw/zinc/15/12/02/599151202.db2.gz JLCXNHOPOZCODY-YCRREMRBSA-N -1 3 386.411 3.933 20 30 GHEDHM COc1ccc(C=CC(=O)c2sccc2Br)cc1-c1nnn[n-]1 ZINC000737081094 599155286 /nfs/dbraw/zinc/15/52/86/599155286.db2.gz KMQUNIDEZUMQNA-DUXPYHPUSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1ccc(C=CC(=O)c2sccc2Br)cc1-c1nn[n-]n1 ZINC000737081094 599155289 /nfs/dbraw/zinc/15/52/89/599155289.db2.gz KMQUNIDEZUMQNA-DUXPYHPUSA-N -1 3 391.250 3.595 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737201221 599157771 /nfs/dbraw/zinc/15/77/71/599157771.db2.gz AALKAOSWTZMCMC-NYYWCZLTSA-N -1 3 390.834 3.910 20 30 GHEDHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736392803 599191304 /nfs/dbraw/zinc/19/13/04/599191304.db2.gz SJJPAXMMXJKNSY-SFHVURJKSA-N -1 3 390.447 3.658 20 30 GHEDHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736392803 599191307 /nfs/dbraw/zinc/19/13/07/599191307.db2.gz SJJPAXMMXJKNSY-SFHVURJKSA-N -1 3 390.447 3.658 20 30 GHEDHM Fc1cc(-c2nn[n-]n2)ccc1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000737640724 598240590 /nfs/dbraw/zinc/24/05/90/598240590.db2.gz NJQZHHXXMQWCDE-RKDXNWHRSA-N -1 3 383.271 3.573 20 30 GHEDHM CCC(CC)CN(CCC#N)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736338206 598277889 /nfs/dbraw/zinc/27/78/89/598277889.db2.gz PUQIEEUHFCLOFD-UHFFFAOYSA-N -1 3 391.932 3.869 20 30 GHEDHM CCC(CC)CN(CCC#N)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736338206 598277890 /nfs/dbraw/zinc/27/78/90/598277890.db2.gz PUQIEEUHFCLOFD-UHFFFAOYSA-N -1 3 391.932 3.869 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735503728 598495721 /nfs/dbraw/zinc/49/57/21/598495721.db2.gz LQVXAXQKWKSVKP-CQSZACIVSA-N -1 3 392.488 3.690 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735503728 598495723 /nfs/dbraw/zinc/49/57/23/598495723.db2.gz LQVXAXQKWKSVKP-CQSZACIVSA-N -1 3 392.488 3.690 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391617 598591356 /nfs/dbraw/zinc/59/13/56/598591356.db2.gz VDQGALZZWFLHAX-UHFFFAOYSA-N -1 3 399.479 3.685 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391617 598591358 /nfs/dbraw/zinc/59/13/58/598591358.db2.gz VDQGALZZWFLHAX-UHFFFAOYSA-N -1 3 399.479 3.685 20 30 GHEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c2ccccc12 ZINC000737081956 598639143 /nfs/dbraw/zinc/63/91/43/598639143.db2.gz SKHOSXVJHOXONS-LUAWRHEFSA-N -1 3 399.454 3.981 20 30 GHEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c2ccccc12 ZINC000737081956 598639145 /nfs/dbraw/zinc/63/91/45/598639145.db2.gz SKHOSXVJHOXONS-LUAWRHEFSA-N -1 3 399.454 3.981 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(OC(C)C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202917 598640777 /nfs/dbraw/zinc/64/07/77/598640777.db2.gz PVTVMUGDFRYUDH-KTKRTIGZSA-N -1 3 377.448 3.606 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(OC(C)C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202917 598640779 /nfs/dbraw/zinc/64/07/79/598640779.db2.gz PVTVMUGDFRYUDH-KTKRTIGZSA-N -1 3 377.448 3.606 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3sccc3-c3nnn[n-]3)c2)cc1 ZINC000737722276 598647959 /nfs/dbraw/zinc/64/79/59/598647959.db2.gz ROWXFPOLRZVFSG-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3sccc3-c3nn[n-]n3)c2)cc1 ZINC000737722276 598647961 /nfs/dbraw/zinc/64/79/61/598647961.db2.gz ROWXFPOLRZVFSG-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM C[C@H](SCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736187385 599332300 /nfs/dbraw/zinc/33/23/00/599332300.db2.gz AAEMDANZMMQTBX-NSHDSACASA-N -1 3 398.879 3.825 20 30 GHEDHM C[C@H](SCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736187385 599332303 /nfs/dbraw/zinc/33/23/03/599332303.db2.gz AAEMDANZMMQTBX-NSHDSACASA-N -1 3 398.879 3.825 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000819745487 599342239 /nfs/dbraw/zinc/34/22/39/599342239.db2.gz GBBWSNDGSQPQNW-CYBMUJFWSA-N -1 3 385.518 3.624 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000819745487 599342243 /nfs/dbraw/zinc/34/22/43/599342243.db2.gz GBBWSNDGSQPQNW-CYBMUJFWSA-N -1 3 385.518 3.624 20 30 GHEDHM CC(C)c1ccc(C=NOCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000820192522 599381174 /nfs/dbraw/zinc/38/11/74/599381174.db2.gz RHELIIUOGFTKKA-UHFFFAOYSA-N -1 3 389.419 3.591 20 30 GHEDHM CC(C)c1ccc(C=NOCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000820192522 599381177 /nfs/dbraw/zinc/38/11/77/599381177.db2.gz RHELIIUOGFTKKA-UHFFFAOYSA-N -1 3 389.419 3.591 20 30 GHEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000736360123 599883568 /nfs/dbraw/zinc/88/35/68/599883568.db2.gz OZXRZOWXTXJAOF-GXTWGEPZSA-N -1 3 377.853 3.932 20 30 GHEDHM C=CCC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000819734756 607422062 /nfs/dbraw/zinc/42/20/62/607422062.db2.gz SIRDACNMERKPIZ-MRXNPFEDSA-N -1 3 378.436 3.704 20 30 GHEDHM C=CCC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000819734756 607422064 /nfs/dbraw/zinc/42/20/64/607422064.db2.gz SIRDACNMERKPIZ-MRXNPFEDSA-N -1 3 378.436 3.704 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000826251453 607428762 /nfs/dbraw/zinc/42/87/62/607428762.db2.gz PYSMIKJJYRHAFW-UHFFFAOYSA-N -1 3 378.461 3.630 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000826251453 607428764 /nfs/dbraw/zinc/42/87/64/607428764.db2.gz PYSMIKJJYRHAFW-UHFFFAOYSA-N -1 3 378.461 3.630 20 30 GHEDHM N#Cc1ccc(CN2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000739116969 600397333 /nfs/dbraw/zinc/39/73/33/600397333.db2.gz GOLIGVPBIXCSAC-FQEVSTJZSA-N -1 3 383.879 3.545 20 30 GHEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F)CCC3 ZINC000823505144 607462524 /nfs/dbraw/zinc/46/25/24/607462524.db2.gz XWQFQSNOJIARGL-NVNXTCNLSA-N -1 3 376.391 3.543 20 30 GHEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F)CCC3 ZINC000823505144 607462526 /nfs/dbraw/zinc/46/25/26/607462526.db2.gz XWQFQSNOJIARGL-NVNXTCNLSA-N -1 3 376.391 3.543 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccc(F)cc1 ZINC000822015961 607459902 /nfs/dbraw/zinc/45/99/02/607459902.db2.gz RGJXDBMSFWRLGB-RUDMXATFSA-N -1 3 392.369 3.535 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccc(F)cc1 ZINC000822015961 607459904 /nfs/dbraw/zinc/45/99/04/607459904.db2.gz RGJXDBMSFWRLGB-RUDMXATFSA-N -1 3 392.369 3.535 20 30 GHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000827716715 601302973 /nfs/dbraw/zinc/30/29/73/601302973.db2.gz AJOZPTLIKLWMBM-YVEFUNNKSA-N -1 3 378.350 3.976 20 30 GHEDHM CC1=C(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCC1 ZINC000824852783 607616166 /nfs/dbraw/zinc/61/61/66/607616166.db2.gz RKSAETXNHLJTFG-OAHLLOKOSA-N -1 3 376.445 3.667 20 30 GHEDHM CC1=C(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCC1 ZINC000824852783 607616168 /nfs/dbraw/zinc/61/61/68/607616168.db2.gz RKSAETXNHLJTFG-OAHLLOKOSA-N -1 3 376.445 3.667 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000823909778 607709369 /nfs/dbraw/zinc/70/93/69/607709369.db2.gz QUCFQLIZGUYWBK-CQSZACIVSA-N -1 3 397.429 3.853 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000823909778 607709371 /nfs/dbraw/zinc/70/93/71/607709371.db2.gz QUCFQLIZGUYWBK-CQSZACIVSA-N -1 3 397.429 3.853 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504171 606306180 /nfs/dbraw/zinc/30/61/80/606306180.db2.gz MZOTVIVXHRCGCD-RRDHLIHNSA-N -1 3 379.401 3.666 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504171 606306181 /nfs/dbraw/zinc/30/61/81/606306181.db2.gz MZOTVIVXHRCGCD-RRDHLIHNSA-N -1 3 379.401 3.666 20 30 GHEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820051938 606317981 /nfs/dbraw/zinc/31/79/81/606317981.db2.gz YMRKWWTVKYRFJT-OAHLLOKOSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820051938 606317982 /nfs/dbraw/zinc/31/79/82/606317982.db2.gz YMRKWWTVKYRFJT-OAHLLOKOSA-N -1 3 392.488 3.686 20 30 GHEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1Br ZINC000821770043 606388581 /nfs/dbraw/zinc/38/85/81/606388581.db2.gz NVHWINAIYSAVNK-HYXAFXHYSA-N -1 3 391.250 3.595 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(Cl)c(Cl)ccc21 ZINC000823504846 606391609 /nfs/dbraw/zinc/39/16/09/606391609.db2.gz VHVOZOBFHZCRIT-FNORWQNLSA-N -1 3 379.228 3.894 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)cc1 ZINC000822832782 606508270 /nfs/dbraw/zinc/50/82/70/606508270.db2.gz GKCLBYCVHVTGNE-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)c2)cc1 ZINC000822832782 606508271 /nfs/dbraw/zinc/50/82/71/606508271.db2.gz GKCLBYCVHVTGNE-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1cc(F)ccc1CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822823586 606599469 /nfs/dbraw/zinc/59/94/69/606599469.db2.gz SSCHEDWNOGTCPP-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1cc(F)ccc1CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822823586 606599470 /nfs/dbraw/zinc/59/94/70/606599470.db2.gz SSCHEDWNOGTCPP-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(Cl)cc(Cl)c1 ZINC000822936263 606695350 /nfs/dbraw/zinc/69/53/50/606695350.db2.gz TXHSVAFIKQCODM-NSCUHMNNSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(Cl)cc(Cl)c1 ZINC000822936263 606695351 /nfs/dbraw/zinc/69/53/51/606695351.db2.gz TXHSVAFIKQCODM-NSCUHMNNSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C1C(=Cc2c[nH]nc2-c2ccccc2F)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823498562 606695374 /nfs/dbraw/zinc/69/53/74/606695374.db2.gz UNWWLLQUJDTWCN-RAXLEYEMSA-N -1 3 386.390 3.608 20 30 GHEDHM O=C1C(=Cc2c[nH]nc2-c2ccccc2F)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823498562 606695375 /nfs/dbraw/zinc/69/53/75/606695375.db2.gz UNWWLLQUJDTWCN-RAXLEYEMSA-N -1 3 386.390 3.608 20 30 GHEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000819845200 606833041 /nfs/dbraw/zinc/83/30/41/606833041.db2.gz QTYQMENAOOZRBI-NSHDSACASA-N -1 3 397.826 3.594 20 30 GHEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000819845200 606833042 /nfs/dbraw/zinc/83/30/42/606833042.db2.gz QTYQMENAOOZRBI-NSHDSACASA-N -1 3 397.826 3.594 20 30 GHEDHM C=CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccc(C)cc1 ZINC000819765295 607014817 /nfs/dbraw/zinc/01/48/17/607014817.db2.gz NJMMCNMRARTHAB-UHFFFAOYSA-N -1 3 389.488 3.912 20 30 GHEDHM C=CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccc(C)cc1 ZINC000819765295 607014818 /nfs/dbraw/zinc/01/48/18/607014818.db2.gz NJMMCNMRARTHAB-UHFFFAOYSA-N -1 3 389.488 3.912 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccccc1C ZINC000819763722 607016694 /nfs/dbraw/zinc/01/66/94/607016694.db2.gz BKDSURCOECBWER-UHFFFAOYSA-N -1 3 389.488 3.912 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccccc1C ZINC000819763722 607016695 /nfs/dbraw/zinc/01/66/95/607016695.db2.gz BKDSURCOECBWER-UHFFFAOYSA-N -1 3 389.488 3.912 20 30 GHEDHM N#Cc1ccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3Cl)o2)cc1 ZINC000826384033 607844063 /nfs/dbraw/zinc/84/40/63/607844063.db2.gz DAMWPHSZYRWWMA-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1ccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cc3Cl)o2)cc1 ZINC000826384033 607844064 /nfs/dbraw/zinc/84/40/64/607844064.db2.gz DAMWPHSZYRWWMA-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc(C#N)cc1Cl ZINC000826176105 607844882 /nfs/dbraw/zinc/84/48/82/607844882.db2.gz AZFDRKFDWDRERG-UHFFFAOYSA-N -1 3 387.852 3.571 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc(C#N)cc1Cl ZINC000826176105 607844883 /nfs/dbraw/zinc/84/48/83/607844883.db2.gz AZFDRKFDWDRERG-UHFFFAOYSA-N -1 3 387.852 3.571 20 30 GHEDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(N(C)CCC#N)cc1 ZINC000825352717 607974905 /nfs/dbraw/zinc/97/49/05/607974905.db2.gz PNOKYGNWKKPAML-UHFFFAOYSA-N -1 3 386.463 3.643 20 30 GHEDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(N(C)CCC#N)cc1 ZINC000825352717 607974906 /nfs/dbraw/zinc/97/49/06/607974906.db2.gz PNOKYGNWKKPAML-UHFFFAOYSA-N -1 3 386.463 3.643 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(SCC)c1 ZINC000823915018 608119589 /nfs/dbraw/zinc/11/95/89/608119589.db2.gz RKTCMUCPZSQDNZ-UHFFFAOYSA-N -1 3 379.489 3.807 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(SCC)c1 ZINC000823915018 608119590 /nfs/dbraw/zinc/11/95/90/608119590.db2.gz RKTCMUCPZSQDNZ-UHFFFAOYSA-N -1 3 379.489 3.807 20 30 GHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CC3(CCCC3)Oc3ccccc32)n1 ZINC000826350438 608534930 /nfs/dbraw/zinc/53/49/30/608534930.db2.gz WHURNWZEJNCESN-UHFFFAOYSA-N -1 3 395.854 3.827 20 30 GHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CC3(CCCC3)Oc3ccccc32)n1 ZINC000826350438 608534932 /nfs/dbraw/zinc/53/49/32/608534932.db2.gz WHURNWZEJNCESN-UHFFFAOYSA-N -1 3 395.854 3.827 20 30 GHEDHM Clc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCCO2 ZINC000826352815 608536586 /nfs/dbraw/zinc/53/65/86/608536586.db2.gz PCFWNCHRSVVTGC-UHFFFAOYSA-N -1 3 390.234 3.557 20 30 GHEDHM Clc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCCO2 ZINC000826352815 608536587 /nfs/dbraw/zinc/53/65/87/608536587.db2.gz PCFWNCHRSVVTGC-UHFFFAOYSA-N -1 3 390.234 3.557 20 30 GHEDHM COc1ccc2cc(C(C)N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)ccc2c1 ZINC000826213058 608537451 /nfs/dbraw/zinc/53/74/51/608537451.db2.gz JWIZDFWDHNFXLJ-UHFFFAOYSA-N -1 3 393.838 3.913 20 30 GHEDHM COc1ccc2cc(C(C)N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)ccc2c1 ZINC000826213058 608537452 /nfs/dbraw/zinc/53/74/52/608537452.db2.gz JWIZDFWDHNFXLJ-UHFFFAOYSA-N -1 3 393.838 3.913 20 30 GHEDHM N#CCN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000826382141 608716516 /nfs/dbraw/zinc/71/65/16/608716516.db2.gz QELQUCMPVNKFOV-UHFFFAOYSA-N -1 3 388.475 3.714 20 30 GHEDHM N#CCN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000826382141 608716517 /nfs/dbraw/zinc/71/65/17/608716517.db2.gz QELQUCMPVNKFOV-UHFFFAOYSA-N -1 3 388.475 3.714 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2ccc(Br)cc21 ZINC000826475990 608756061 /nfs/dbraw/zinc/75/60/61/608756061.db2.gz YCEODNSETBOZOS-JXMROGBWSA-N -1 3 387.262 3.903 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000825338527 609269926 /nfs/dbraw/zinc/26/99/26/609269926.db2.gz BSTVXVIIMQDHQQ-YWEYNIOJSA-N -1 3 382.395 3.699 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000825338527 609269927 /nfs/dbraw/zinc/26/99/27/609269927.db2.gz BSTVXVIIMQDHQQ-YWEYNIOJSA-N -1 3 382.395 3.699 20 30 GHEDHM Cc1ccc(C)c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826284027 609307982 /nfs/dbraw/zinc/30/79/82/609307982.db2.gz ICCHIWOORYDGRY-ZHACJKMWSA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1ccc(C)c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826284027 609307985 /nfs/dbraw/zinc/30/79/85/609307985.db2.gz ICCHIWOORYDGRY-ZHACJKMWSA-N -1 3 384.443 3.780 20 30 GHEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2Br)c(F)c1 ZINC000826385828 609311292 /nfs/dbraw/zinc/31/12/92/609311292.db2.gz COABZNCYWNZFND-UHFFFAOYSA-N -1 3 390.241 3.932 20 30 GHEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2Br)c(F)c1 ZINC000826385828 609311294 /nfs/dbraw/zinc/31/12/94/609311294.db2.gz COABZNCYWNZFND-UHFFFAOYSA-N -1 3 390.241 3.932 20 30 GHEDHM COc1cc(/C=C\C(=O)c2nnn(-c3ccc(F)cc3)c2C)cc(Cl)c1[O-] ZINC000255888006 837408657 /nfs/dbraw/zinc/40/86/57/837408657.db2.gz QMYZPGDLFRDSQA-BAQGIRSFSA-N -1 3 387.798 3.979 20 30 GHEDHM O=C1[C@@H](/N=C\c2cc(Br)ccc2[O-])CCN1c1ccccc1F ZINC000255715926 835666269 /nfs/dbraw/zinc/66/62/69/835666269.db2.gz DCUQSGUVANLAQQ-FHOUHHFSSA-N -1 3 377.213 3.518 20 30 GHEDHM N=C(Nc1cccc(/C=N/[O-])c1)c1nn(Cc2ccccc2F)c2ncccc12 ZINC001167230386 836971539 /nfs/dbraw/zinc/97/15/39/836971539.db2.gz YSQLRKFPXYYRBE-BRJLIKDPSA-N -1 3 388.406 3.864 20 30 GHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)sc2C1 ZINC000066269746 837061111 /nfs/dbraw/zinc/06/11/11/837061111.db2.gz RFFXWIYFRVQURP-JTQLQIEISA-N -1 3 399.428 3.676 20 30 GHEDHM CCS(=O)(=O)Nc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255882869 837253314 /nfs/dbraw/zinc/25/33/14/837253314.db2.gz FXUFLVBRMSYGQZ-UHFFFAOYSA-N -1 3 383.267 3.667 20 30 GHEDHM COc1ccccc1OCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)o1 ZINC000051266232 838508260 /nfs/dbraw/zinc/50/82/60/838508260.db2.gz LLQBWCVYMZCAIP-UHFFFAOYSA-N -1 3 382.298 3.640 20 30 GHEDHM COc1ccccc1OCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)o1 ZINC000051266232 838508264 /nfs/dbraw/zinc/50/82/64/838508264.db2.gz LLQBWCVYMZCAIP-UHFFFAOYSA-N -1 3 382.298 3.640 20 30 GHEDHM COc1ccccc1OCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)o1 ZINC000051266232 838508268 /nfs/dbraw/zinc/50/82/68/838508268.db2.gz LLQBWCVYMZCAIP-UHFFFAOYSA-N -1 3 382.298 3.640 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1[O-] ZINC000748147621 838857696 /nfs/dbraw/zinc/85/76/96/838857696.db2.gz HYSKDKIAMZRSTC-UHFFFAOYSA-N -1 3 387.439 3.541 20 30 GHEDHM C#Cc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](C)CC4)cn1 ZINC000728937195 844446284 /nfs/dbraw/zinc/44/62/84/844446284.db2.gz HCENDLFEIATVGB-RYUDHWBXSA-N -1 3 393.468 3.816 20 30 GHEDHM Cc1cccc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(F)(F)F)c1 ZINC000511823675 840862180 /nfs/dbraw/zinc/86/21/80/840862180.db2.gz LJZYLCOBIRPPNQ-GOSISDBHSA-N -1 3 391.393 3.937 20 30 GHEDHM COc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OCCCC#N ZINC000417617779 841058621 /nfs/dbraw/zinc/05/86/21/841058621.db2.gz CMEONUCULBRNRJ-RTBURBONSA-N -1 3 380.444 3.781 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc(OC)c(O)cc2Br)ccc1[O-] ZINC000067006171 842848686 /nfs/dbraw/zinc/84/86/86/842848686.db2.gz YRNSEHSQHVISCH-HWKANZROSA-N -1 3 379.206 3.774 20 30 GHEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000512226100 843143798 /nfs/dbraw/zinc/14/37/98/843143798.db2.gz IACUUAGXPWZZFR-UHFFFAOYSA-N -1 3 379.416 3.745 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccnc2ccccc12 ZINC000731314230 861554151 /nfs/dbraw/zinc/55/41/51/861554151.db2.gz GXDDUTUTJVSAMI-SFHVURJKSA-N -1 3 389.440 3.510 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000513582138 845686167 /nfs/dbraw/zinc/68/61/67/845686167.db2.gz IKIFQLDYMDRZEO-UHFFFAOYSA-N -1 3 376.460 3.517 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(CCC#N)c1-c1ccccc1 ZINC000429118922 861607471 /nfs/dbraw/zinc/60/74/71/861607471.db2.gz YWZUYWHBUVNAHT-QGZVFWFLSA-N -1 3 394.438 3.841 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c(Cl)c1 ZINC000503432527 847691832 /nfs/dbraw/zinc/69/18/32/847691832.db2.gz WDWTUTPXINSCIH-NEPJUHHUSA-N -1 3 380.819 3.859 20 30 GHEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCN1c1c(F)cccc1F ZINC000255520146 848029530 /nfs/dbraw/zinc/02/95/30/848029530.db2.gz RFBDXFZWXBKOQL-FGJCKKKHSA-N -1 3 395.203 3.657 20 30 GHEDHM N#Cc1c2c(cnc1N1CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC1)CCC2 ZINC000583200407 849315493 /nfs/dbraw/zinc/31/54/93/849315493.db2.gz PRIITNSLRJOWTB-UHFFFAOYSA-N -1 3 396.878 3.656 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000563597057 849315549 /nfs/dbraw/zinc/31/55/49/849315549.db2.gz LKDWZKZNFJNLLI-QGZVFWFLSA-N -1 3 397.525 3.803 20 30 GHEDHM C[C@@H](C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F)N(C)CC(F)(F)F ZINC000504298908 850004328 /nfs/dbraw/zinc/00/43/28/850004328.db2.gz QKWHRGPVBRQGQS-CPCISQLKSA-N -1 3 378.263 3.567 20 30 GHEDHM N#CC(=C([O-])c1cnnn1-c1cccc(F)c1)c1nc2ccccc2n1C(F)F ZINC000434618983 851358156 /nfs/dbraw/zinc/35/81/56/851358156.db2.gz BKKQKJSNCVKOQZ-CYBMUJFWSA-N -1 3 396.332 3.641 20 30 GHEDHM COc1cc([C@H](C#N)NC(=O)c2ccc(C(C)C)cc2[O-])cc(OC)c1OC ZINC000436546124 852033962 /nfs/dbraw/zinc/03/39/62/852033962.db2.gz SZHKQESIVVTDMP-INIZCTEOSA-N -1 3 384.432 3.536 20 30 GHEDHM C=CCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000436694136 852206804 /nfs/dbraw/zinc/20/68/04/852206804.db2.gz GCUXPPKZLJKNHL-UHFFFAOYSA-N -1 3 386.879 3.568 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(-c2ccncc2)c1C(F)F ZINC000489914751 852666057 /nfs/dbraw/zinc/66/60/57/852666057.db2.gz UAINCHOQWWBJFX-CYBMUJFWSA-N -1 3 392.369 3.582 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1F ZINC000427325891 852986269 /nfs/dbraw/zinc/98/62/69/852986269.db2.gz ZTTLUQUIYIFMGZ-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1Cl ZINC000487450537 862438736 /nfs/dbraw/zinc/43/87/36/862438736.db2.gz VNVVLBDWMXPFGB-UHFFFAOYSA-N -1 3 391.773 3.828 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(F)cc1Br ZINC000588853862 854552339 /nfs/dbraw/zinc/55/23/39/854552339.db2.gz QMTGYXUUACBXEY-UHFFFAOYSA-N -1 3 383.242 3.764 20 30 GHEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000609545753 854645699 /nfs/dbraw/zinc/64/56/99/854645699.db2.gz KPVRCHOVSNJHRC-UHFFFAOYSA-N -1 3 392.427 3.505 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3)n2)cc1 ZINC000131698434 855801368 /nfs/dbraw/zinc/80/13/68/855801368.db2.gz GODXITJWUQXQFQ-INIZCTEOSA-N -1 3 377.425 3.780 20 30 GHEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000554761045 856073153 /nfs/dbraw/zinc/07/31/53/856073153.db2.gz YGLLNGAAYBHVEQ-UHFFFAOYSA-N -1 3 391.334 3.623 20 30 GHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509221252 856097871 /nfs/dbraw/zinc/09/78/71/856097871.db2.gz XZPNGKLITQWGNW-ZDUSSCGKSA-N -1 3 379.707 3.709 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000153833848 856336236 /nfs/dbraw/zinc/33/62/36/856336236.db2.gz MYPQWPVKAPJDCJ-UHFFFAOYSA-N -1 3 392.503 3.671 20 30 GHEDHM C=C(C)COc1cc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC ZINC000905750823 856505958 /nfs/dbraw/zinc/50/59/58/856505958.db2.gz RPXKMPUGCWWZCZ-HNNXBMFYSA-N -1 3 388.489 3.794 20 30 GHEDHM N#CCC[C@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482232517 862833001 /nfs/dbraw/zinc/83/30/01/862833001.db2.gz OHQPLINOAGCDFS-INIZCTEOSA-N -1 3 398.264 3.685 20 30 GHEDHM CC1(C)CCc2sc([N-]C(=O)c3ccc(S(C)(=O)=O)s3)c(C#N)c21 ZINC000906265285 856972729 /nfs/dbraw/zinc/97/27/29/856972729.db2.gz SDSFCDIDFMJOIU-UHFFFAOYSA-N -1 3 380.516 3.561 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)ccc1F ZINC001128211938 857263720 /nfs/dbraw/zinc/26/37/20/857263720.db2.gz VEBOFVKFXIRQPW-DOTOQJQBSA-N -1 3 396.528 3.625 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)c(C)c1 ZINC000442236260 857663497 /nfs/dbraw/zinc/66/34/97/857663497.db2.gz LSYXKUUKNXATEF-UHFFFAOYSA-N -1 3 386.351 3.575 20 30 GHEDHM CC(C)(C#N)c1ccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1 ZINC000593947759 857826323 /nfs/dbraw/zinc/82/63/23/857826323.db2.gz NUHYHIKWYPJHHW-OAQYLSRUSA-N -1 3 388.471 3.979 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc(OC)c(O)cc2Br)ccc1[O-] ZINC000214131018 858089337 /nfs/dbraw/zinc/08/93/37/858089337.db2.gz YRNSEHSQHVISCH-HYXAFXHYSA-N -1 3 379.206 3.774 20 30 GHEDHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046650952 858158257 /nfs/dbraw/zinc/15/82/57/858158257.db2.gz LWXCPFOVUJFTOC-OAHLLOKOSA-N -1 3 377.444 3.728 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC000443087501 858346564 /nfs/dbraw/zinc/34/65/64/858346564.db2.gz KHZJSNQJJMOYCX-AWEZNQCLSA-N -1 3 379.825 3.549 20 30 GHEDHM C#CC[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000764624169 859531107 /nfs/dbraw/zinc/53/11/07/859531107.db2.gz HFBUABXTHXXTJR-LJQANCHMSA-N -1 3 378.856 3.777 20 30 GHEDHM N#Cc1ccccc1NC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000602184790 859844626 /nfs/dbraw/zinc/84/46/26/859844626.db2.gz ZDHQOFXZFYIPNE-UHFFFAOYSA-N -1 3 381.451 3.829 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000318679462 859865241 /nfs/dbraw/zinc/86/52/41/859865241.db2.gz JSYNHALZBSAWMA-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM COc1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1O ZINC000727058546 859910947 /nfs/dbraw/zinc/91/09/47/859910947.db2.gz RJFQJXCJTFFGIL-UHFFFAOYSA-N -1 3 397.456 3.648 20 30 GHEDHM COc1ccc(O)c(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000727058576 859911221 /nfs/dbraw/zinc/91/12/21/859911221.db2.gz RVORNUYVCSJZDU-UHFFFAOYSA-N -1 3 397.456 3.648 20 30 GHEDHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000765586715 860250808 /nfs/dbraw/zinc/25/08/08/860250808.db2.gz KGFFQFFCIAGPOY-OAHLLOKOSA-N -1 3 391.399 3.504 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cccc(Cl)c3)n2)c1 ZINC000125520726 860692478 /nfs/dbraw/zinc/69/24/78/860692478.db2.gz YKDADABWRGDUPA-KRWDZBQOSA-N -1 3 378.819 3.795 20 30 GHEDHM C[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(F)F ZINC000453816766 881698896 /nfs/dbraw/zinc/69/88/96/881698896.db2.gz QTABAPSXOFVVLK-LURJTMIESA-N -1 3 392.246 3.823 20 30 GHEDHM C=CCN(Cc1ncc(-c2cccs2)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425374 864782071 /nfs/dbraw/zinc/78/20/71/864782071.db2.gz AINGQSRNHGSLIU-UHFFFAOYSA-N -1 3 378.461 3.771 20 30 GHEDHM C=CCN(Cc1ncc(-c2cccs2)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425374 864782077 /nfs/dbraw/zinc/78/20/77/864782077.db2.gz AINGQSRNHGSLIU-UHFFFAOYSA-N -1 3 378.461 3.771 20 30 GHEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc2ccccc2c1 ZINC000735580733 864862547 /nfs/dbraw/zinc/86/25/47/864862547.db2.gz GZEYGRNKCOZZKY-UHFFFAOYSA-N -1 3 382.427 3.808 20 30 GHEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc2ccccc2c1 ZINC000735580733 864862559 /nfs/dbraw/zinc/86/25/59/864862559.db2.gz GZEYGRNKCOZZKY-UHFFFAOYSA-N -1 3 382.427 3.808 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccco3)s2)cc1OC ZINC000766254226 865978493 /nfs/dbraw/zinc/97/84/93/865978493.db2.gz JRWICVOOJUIWIZ-ZDUSSCGKSA-N -1 3 396.424 3.986 20 30 GHEDHM N#Cc1ccccc1OC1CCC(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000523431636 867277944 /nfs/dbraw/zinc/27/79/44/867277944.db2.gz NHDZWQVCNUTDQW-UHFFFAOYSA-N -1 3 383.423 3.592 20 30 GHEDHM O=C(NO)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000742825020 867581468 /nfs/dbraw/zinc/58/14/68/867581468.db2.gz VOODIMNJVGPNQP-UHFFFAOYSA-N -1 3 395.651 3.567 20 30 GHEDHM CCOc1cccc2cc(C(C)=N[N-]S(=O)(=O)CCc3ccccc3)oc21 ZINC000743449031 868196965 /nfs/dbraw/zinc/19/69/65/868196965.db2.gz KZADVSSUDQVACO-UHFFFAOYSA-N -1 3 386.473 3.718 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc(Cl)sc1Cl ZINC000743448475 868197191 /nfs/dbraw/zinc/19/71/91/868197191.db2.gz QORYPRYDGLUFBU-UHFFFAOYSA-N -1 3 377.318 3.941 20 30 GHEDHM Cc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)nc2ccccc12 ZINC000445403440 868385537 /nfs/dbraw/zinc/38/55/37/868385537.db2.gz PCQBTJJLTXQRHW-UHFFFAOYSA-N -1 3 385.427 3.968 20 30 GHEDHM C#C[C@@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000744179425 868641520 /nfs/dbraw/zinc/64/15/20/868641520.db2.gz CLLLIOXWCBFASM-GFCCVEGCSA-N -1 3 395.839 3.767 20 30 GHEDHM CC(C)(C)NS(=O)(=O)c1ccccc1C/N=C\c1cc(Cl)ccc1[O-] ZINC000920833445 882399433 /nfs/dbraw/zinc/39/94/33/882399433.db2.gz OEZKCRXKAIHTGQ-NDENLUEZSA-N -1 3 380.897 3.742 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2c(s1)CCOC2 ZINC000103330291 871777383 /nfs/dbraw/zinc/77/73/83/871777383.db2.gz DYTPVZMPNLDHQC-LLVKDONJSA-N -1 3 378.812 3.574 20 30 GHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cc(Br)cn3)cc2)n1 ZINC000041515708 872006353 /nfs/dbraw/zinc/00/63/53/872006353.db2.gz UOMGOBQLMFXCJY-AWEZNQCLSA-N -1 3 387.262 3.890 20 30 GHEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000619210310 872445536 /nfs/dbraw/zinc/44/55/36/872445536.db2.gz SFCDAAKZDGQHFI-UHFFFAOYSA-N -1 3 387.439 3.595 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000102119774 872576529 /nfs/dbraw/zinc/57/65/29/872576529.db2.gz CWBNAYKQQBBHPO-QGZVFWFLSA-N -1 3 395.415 3.907 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000541277633 873252317 /nfs/dbraw/zinc/25/23/17/873252317.db2.gz JGVLRQSHTFFWCT-UHFFFAOYSA-N -1 3 389.402 3.912 20 30 GHEDHM CCc1nc(-c2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2)n[nH]1 ZINC000464479025 873971826 /nfs/dbraw/zinc/97/18/26/873971826.db2.gz VPTJVCDRSNTSCA-CQSZACIVSA-N -1 3 385.349 3.938 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cccc(Cl)c2[O-])c1C ZINC000775932561 874793006 /nfs/dbraw/zinc/79/30/06/874793006.db2.gz AGHGPWZOYJLFFD-UHFFFAOYSA-N -1 3 386.835 3.766 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cncc(OCC2CCOCC2)c1 ZINC001199527910 875036646 /nfs/dbraw/zinc/03/66/46/875036646.db2.gz KVQRLIWTBLJVLQ-UHFFFAOYSA-N -1 3 377.400 3.757 20 30 GHEDHM N#CCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(I)c1 ZINC001201224095 875586938 /nfs/dbraw/zinc/58/69/38/875586938.db2.gz ICHNHUAJHKWJHZ-UHFFFAOYSA-N -1 3 395.156 3.715 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)cc1C#N ZINC001201315577 875627248 /nfs/dbraw/zinc/62/72/48/875627248.db2.gz FRJGZROSIAEHPO-UHFFFAOYSA-N -1 3 383.242 3.878 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1nc[nH]c(=O)c1Br ZINC001201833934 875894805 /nfs/dbraw/zinc/89/48/05/875894805.db2.gz FXCQAMZDYFCOGC-UHFFFAOYSA-N -1 3 394.335 3.827 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000776280561 876170386 /nfs/dbraw/zinc/17/03/86/876170386.db2.gz UIFDCSYTNWLJNA-LBPRGKRZSA-N -1 3 393.424 3.571 20 30 GHEDHM N#CC(=C([O-])c1ccnc(OC2CCCCC2)c1)c1nnc2n1CCCCC2 ZINC000179801905 883029164 /nfs/dbraw/zinc/02/91/64/883029164.db2.gz MBPAOASJLHCPIW-KRWDZBQOSA-N -1 3 379.464 3.601 20 30 GHEDHM COc1cc(/C=C2\CCc3cc(C#N)cnc3C2=O)cc(Br)c1[O-] ZINC000788354864 878024795 /nfs/dbraw/zinc/02/47/95/878024795.db2.gz DTMTUWRZFUARCU-YIXHJXPBSA-N -1 3 385.217 3.642 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1[O-] ZINC000788674032 878233678 /nfs/dbraw/zinc/23/36/78/878233678.db2.gz BLASNUKVYAAQTN-MJGXDETHSA-N -1 3 394.302 3.983 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(CN4CCOCC4)cs3)on2)cc1 ZINC000031263744 879376988 /nfs/dbraw/zinc/37/69/88/879376988.db2.gz AGWYFIDEDDURGM-UHFFFAOYSA-N -1 3 384.461 3.575 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)N(CC(F)F)CCS3)c1[O-] ZINC000790572757 879831724 /nfs/dbraw/zinc/83/17/24/879831724.db2.gz BJSCSDUDTMVRFX-UHFFFAOYSA-N -1 3 379.432 3.516 20 30 GHEDHM C[C@@]1(C2CC2)NC(=O)N(c2cccc(CN=Cc3cc(Cl)ccc3[O-])c2)C1=O ZINC000790572881 879832368 /nfs/dbraw/zinc/83/23/68/879832368.db2.gz BVDJXKUNUOELID-IIHIVLJSSA-N -1 3 397.862 3.890 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000747018204 880460926 /nfs/dbraw/zinc/46/09/26/880460926.db2.gz BWGZSVNMIWBFGU-HNNXBMFYSA-N -1 3 382.782 3.626 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(-c3cc[nH]n3)cc2)no1 ZINC000761614440 881126578 /nfs/dbraw/zinc/12/65/78/881126578.db2.gz KDTDUZXUBSXTAZ-UHFFFAOYSA-N -1 3 386.415 3.501 20 30 GHEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129733357 883142799 /nfs/dbraw/zinc/14/27/99/883142799.db2.gz ULDQZKDQGMHONH-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129733357 883142803 /nfs/dbraw/zinc/14/28/03/883142803.db2.gz ULDQZKDQGMHONH-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2Cl)ccc1F ZINC000175168243 883350875 /nfs/dbraw/zinc/35/08/75/883350875.db2.gz RBPWGZOVCFJDQF-UHFFFAOYSA-N -1 3 382.844 3.504 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2ccccc2Cl)ccc1F ZINC000914516156 884010775 /nfs/dbraw/zinc/01/07/75/884010775.db2.gz GWOXUXCYGLPYIO-UHFFFAOYSA-N -1 3 396.871 3.610 20 30 GHEDHM CC[C@H](C)n1ncc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C1CC1 ZINC000536507961 886595753 /nfs/dbraw/zinc/59/57/53/886595753.db2.gz CKDHHDZWOGNVSX-LBPRGKRZSA-N -1 3 381.480 3.892 20 30 GHEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1n[n-]c2c1cccc2OC ZINC000808672819 886670631 /nfs/dbraw/zinc/67/06/31/886670631.db2.gz HDGWSGBMPCNONS-UHFFFAOYSA-N -1 3 397.456 3.645 20 30 GHEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1[n-]nc2c1cccc2OC ZINC000808672819 886670638 /nfs/dbraw/zinc/67/06/38/886670638.db2.gz HDGWSGBMPCNONS-UHFFFAOYSA-N -1 3 397.456 3.645 20 30 GHEDHM O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N([O-])Cc1ccccc1Cl ZINC001184283428 913133152 /nfs/dbraw/zinc/13/31/52/913133152.db2.gz JKSAIUNBVHKFIR-UHFFFAOYSA-N -1 3 377.828 3.985 20 30 GHEDHM COc1cc(CN=Nc2c(F)cc(C(=O)NC3CC3)cc2F)cc(Cl)c1[O-] ZINC000763186248 888150633 /nfs/dbraw/zinc/15/06/33/888150633.db2.gz HLKNFZIPIZHSPG-UHFFFAOYSA-N -1 3 395.793 3.671 20 30 GHEDHM CCC(=NNc1ccc(-n2cccn2)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000915972707 888589924 /nfs/dbraw/zinc/58/99/24/888589924.db2.gz RZRVBXIBIFZUCU-UHFFFAOYSA-N -1 3 377.235 3.901 20 30 GHEDHM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1[O-] ZINC000916244969 888867867 /nfs/dbraw/zinc/86/78/67/888867867.db2.gz JJYOFZVACUOFKH-UHFFFAOYSA-N -1 3 380.198 3.908 20 30 GHEDHM Cc1cc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c(C)n1Cc1ccco1 ZINC000811184389 889271864 /nfs/dbraw/zinc/27/18/64/889271864.db2.gz NNHIGDPHBUFLSA-OAHLLOKOSA-N -1 3 392.411 3.752 20 30 GHEDHM N#CC(=C([O-])C1=Cc2cc(Br)ccc2OC1)c1nc2ccccc2[nH]1 ZINC000916844681 890286581 /nfs/dbraw/zinc/28/65/81/890286581.db2.gz VPBQJLIVYFMGNJ-AWEZNQCLSA-N -1 3 394.228 3.978 20 30 GHEDHM COCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)Nc1ccccc1OC ZINC000916931306 890424388 /nfs/dbraw/zinc/42/43/88/890424388.db2.gz PEYNNLPQMJUESI-CQSZACIVSA-N -1 3 378.384 3.549 20 30 GHEDHM O=C1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CN1c1ccccc1F ZINC000812444900 890637644 /nfs/dbraw/zinc/63/76/44/890637644.db2.gz ILZYQMNNIMPPPE-PCQWDSEFSA-N -1 3 377.213 3.518 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc(N2CCOCC2)c(F)c1 ZINC000917556730 892203199 /nfs/dbraw/zinc/20/31/99/892203199.db2.gz JUBGLYVYTYAGKF-CIAFOILYSA-N -1 3 393.256 3.750 20 30 GHEDHM O=S(=O)([N-]Cc1c(F)cc(F)cc1F)c1ccc(F)cc1C(F)(F)F ZINC000815077534 893423051 /nfs/dbraw/zinc/42/30/51/893423051.db2.gz SKAMAKPDGNAPTA-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000819743136 896967213 /nfs/dbraw/zinc/96/72/13/896967213.db2.gz DENTWUTUABEPFE-MOPGFXCFSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000819743136 896967222 /nfs/dbraw/zinc/96/72/22/896967222.db2.gz DENTWUTUABEPFE-MOPGFXCFSA-N -1 3 380.496 3.533 20 30 GHEDHM Clc1ccc(Br)cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000822574070 898487098 /nfs/dbraw/zinc/48/70/98/898487098.db2.gz NRBRSUYWPQNPIT-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM Clc1ccc(Br)cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000822574070 898487109 /nfs/dbraw/zinc/48/71/09/898487109.db2.gz NRBRSUYWPQNPIT-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3cc(Cl)c(Cl)[n-]3)C2=O)cc1 ZINC000778765764 899501884 /nfs/dbraw/zinc/50/18/84/899501884.db2.gz AOUICWONRXMEFT-CQSZACIVSA-N -1 3 378.215 3.546 20 30 GHEDHM C[C@@H](Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)c1cccc(C#N)c1 ZINC000824662281 899750054 /nfs/dbraw/zinc/75/00/54/899750054.db2.gz HMQXVYRQPMUPQP-GFCCVEGCSA-N -1 3 390.838 3.751 20 30 GHEDHM C[C@@H](Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)c1cccc(C#N)c1 ZINC000824662281 899750069 /nfs/dbraw/zinc/75/00/69/899750069.db2.gz HMQXVYRQPMUPQP-GFCCVEGCSA-N -1 3 390.838 3.751 20 30 GHEDHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCCN1Cc1ccccc1 ZINC000134506703 900075799 /nfs/dbraw/zinc/07/57/99/900075799.db2.gz NNQJKFKKBWYVNT-RHLNUJDMSA-N -1 3 387.277 3.765 20 30 GHEDHM O=C(c1ccccc1[O-])N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287505 900457949 /nfs/dbraw/zinc/45/79/49/900457949.db2.gz SKKWPANJUBIKOB-RKDXNWHRSA-N -1 3 389.242 3.635 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCOc2c(F)cc(F)cc21 ZINC000806007406 902583891 /nfs/dbraw/zinc/58/38/91/902583891.db2.gz GBWXLEXXOKFTQY-QGZVFWFLSA-N -1 3 388.370 3.554 20 30 GHEDHM C=CCc1c(F)c(F)c(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c(F)c1F ZINC001186731507 914750925 /nfs/dbraw/zinc/75/09/25/914750925.db2.gz OXCRRBIUZQTQAC-UHFFFAOYSA-N -1 3 393.296 3.578 20 30 GHEDHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000773149799 904489573 /nfs/dbraw/zinc/48/95/73/904489573.db2.gz MIQALFZEEFYPNB-NGJVAEMFSA-N -1 3 393.281 3.546 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000174694917 905325000 /nfs/dbraw/zinc/32/50/00/905325000.db2.gz KXTMZYVGSSCXRW-XCLFUZPHSA-N -1 3 381.451 3.545 20 30 GHEDHM CCC1(CC)Oc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2O1 ZINC000190855556 906365366 /nfs/dbraw/zinc/36/53/66/906365366.db2.gz YPDSQPZYVDWNCI-UHFFFAOYSA-N -1 3 395.459 3.722 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000193396771 908329700 /nfs/dbraw/zinc/32/97/00/908329700.db2.gz JULVKHSRZCDCAL-GOSISDBHSA-N -1 3 378.819 3.546 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCc2ccc(OC)c(C)c2)c(C)c1[O-] ZINC001180486464 910170453 /nfs/dbraw/zinc/17/04/53/910170453.db2.gz SEMSLNCYEBYGHX-UHFFFAOYSA-N -1 3 396.443 3.637 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cnc(C2OCCO2)s1 ZINC000283115797 911376288 /nfs/dbraw/zinc/37/62/88/911376288.db2.gz SDMJLHAHFXAOAP-NSHDSACASA-N -1 3 375.475 3.693 20 30 GHEDHM CCOCc1ccc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc1 ZINC001187111825 915016036 /nfs/dbraw/zinc/01/60/36/915016036.db2.gz LYXKVRAVEGMKPU-UHFFFAOYSA-N -1 3 382.338 3.688 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccn2ncc(C(=O)OCC)c12 ZINC001187995000 915672530 /nfs/dbraw/zinc/67/25/30/915672530.db2.gz YARBRTCXEDOTDW-UHFFFAOYSA-N -1 3 381.498 3.613 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1CC ZINC001188018200 915710168 /nfs/dbraw/zinc/71/01/68/915710168.db2.gz YSMWSHCFVRIIPL-UHFFFAOYSA-N -1 3 375.556 3.755 20 30 GHEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)c1 ZINC001189036338 916357544 /nfs/dbraw/zinc/35/75/44/916357544.db2.gz HIDDYRAPCDIRDW-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c(=O)[n-]1 ZINC000297698690 919626410 /nfs/dbraw/zinc/62/64/10/919626410.db2.gz FTKKSVREVFTBDL-WDEREUQCSA-N -1 3 384.505 3.989 20 30 GHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cc(Cn4cccn4)on3)sc2[C@@H](C)C1 ZINC000298004812 920070031 /nfs/dbraw/zinc/07/00/31/920070031.db2.gz YZQRIVGOMWZVRQ-NEPJUHHUSA-N -1 3 381.461 3.791 20 30 GHEDHM O=C(c1nccnc1-c1nc2ccccc2s1)N([O-])Cc1ccc(F)cc1 ZINC000901375817 921053334 /nfs/dbraw/zinc/05/33/34/921053334.db2.gz LCUKECUNNSFIIX-UHFFFAOYSA-N -1 3 380.404 3.924 20 30 GHEDHM O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380615 921058760 /nfs/dbraw/zinc/05/87/60/921058760.db2.gz ZISQEIFXWBURRG-INIZCTEOSA-N -1 3 397.233 3.903 20 30 GHEDHM O=S(=O)(c1ccccc1C/N=C/c1cc(Cl)ccc1[O-])N1CCCCC1 ZINC000011124187 924603588 /nfs/dbraw/zinc/60/35/88/924603588.db2.gz ZGSICPZWUYZGOJ-KGENOOAVSA-N -1 3 392.908 3.839 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000373640977 926307066 /nfs/dbraw/zinc/30/70/66/926307066.db2.gz RVJVXZJTWHBBOG-JOCHJYFZSA-N -1 3 381.451 3.538 20 30 GHEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c([O-])c1Br ZINC000546203785 929956259 /nfs/dbraw/zinc/95/62/59/929956259.db2.gz AUDHJKNQSSWJHM-KRWDZBQOSA-N -1 3 389.249 3.916 20 30 GHEDHM O=C([N-]CC1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000798956271 932838648 /nfs/dbraw/zinc/83/86/48/932838648.db2.gz PITXHFLDQKEBOC-UHFFFAOYSA-N -1 3 386.311 3.735 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCOC2)c1[O-] ZINC001123152303 935092550 /nfs/dbraw/zinc/09/25/50/935092550.db2.gz JRQARHZGLOOMAA-IRXDYDNUSA-N -1 3 395.507 3.544 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573294480 946989895 /nfs/dbraw/zinc/98/98/95/946989895.db2.gz GJYGJIQVMRDKQA-OALUTQOASA-N -1 3 392.415 3.546 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573294480 946989899 /nfs/dbraw/zinc/98/98/99/946989899.db2.gz GJYGJIQVMRDKQA-OALUTQOASA-N -1 3 392.415 3.546 20 30 GHEDHM C=CC1(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCCCC1 ZINC001573314979 947239777 /nfs/dbraw/zinc/23/97/77/947239777.db2.gz JAGABCRJEWGQLA-UHFFFAOYSA-N -1 3 395.507 3.763 20 30 GHEDHM C=CC1(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCCCC1 ZINC001573314979 947239788 /nfs/dbraw/zinc/23/97/88/947239788.db2.gz JAGABCRJEWGQLA-UHFFFAOYSA-N -1 3 395.507 3.763 20 30 GHEDHM C=C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1)c1ccccc1 ZINC001573319130 947326026 /nfs/dbraw/zinc/32/60/26/947326026.db2.gz UVMDVUWTBCQOPO-GFCCVEGCSA-N -1 3 398.264 3.928 20 30 GHEDHM C=C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1)c1ccccc1 ZINC001573319130 947326038 /nfs/dbraw/zinc/32/60/38/947326038.db2.gz UVMDVUWTBCQOPO-GFCCVEGCSA-N -1 3 398.264 3.928 20 30 GHEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001573329418 947420700 /nfs/dbraw/zinc/42/07/00/947420700.db2.gz JRNCWVPEGKVGAJ-AWEZNQCLSA-N -1 3 394.410 3.980 20 30 GHEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001573329418 947420708 /nfs/dbraw/zinc/42/07/08/947420708.db2.gz JRNCWVPEGKVGAJ-AWEZNQCLSA-N -1 3 394.410 3.980 20 30 GHEDHM Cc1ccc2nc(COc3cccc(C([O-])=C(C#N)c4ccncn4)c3)cn2c1 ZINC000545446156 1015878059 /nfs/dbraw/zinc/87/80/59/1015878059.db2.gz XUPOQDGYEJOBRW-LJQANCHMSA-N -1 3 383.411 3.502 20 30 GHEDHM C=CCN1CCC(N=c2[n-]nc(-c3cc(Br)ccc3C)s2)CC1 ZINC000468702235 1015929234 /nfs/dbraw/zinc/92/92/34/1015929234.db2.gz ZDOMZCGLGFKJSU-UHFFFAOYSA-N -1 3 393.354 3.760 20 30 GHEDHM N#Cc1ccc2[n-]c(C(=O)NCC3(c4ccc(Cl)cc4)CC3)cc(=O)c2c1 ZINC001154559537 1032180837 /nfs/dbraw/zinc/18/08/37/1032180837.db2.gz ODVDXJJOHAGQEW-UHFFFAOYSA-N -1 3 377.831 3.515 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227587040 1032474846 /nfs/dbraw/zinc/47/48/46/1032474846.db2.gz FFLZPDQBPJDOCV-OAHLLOKOSA-N -1 3 391.240 3.819 20 30 GHEDHM CCOC(=O)[C@@H]1CC[C@@H](Oc2ccccc2N=CC=Nc2ccccc2[O-])CO1 ZINC001228127430 1032798112 /nfs/dbraw/zinc/79/81/12/1032798112.db2.gz RVJJKHZONZJUEV-IERDGZPVSA-N -1 3 396.443 3.987 20 30 GHEDHM COC(=O)c1c(F)cccc1NN=Cc1ccc(OC)c([O-])c1Br ZINC000800816720 1021336888 /nfs/dbraw/zinc/33/68/88/1021336888.db2.gz HHGDAADOWSFSKN-UHFFFAOYSA-N -1 3 397.200 3.535 20 30 GHEDHM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(Br)cc1[O-] ZINC000756826074 1023827306 /nfs/dbraw/zinc/82/73/06/1023827306.db2.gz UHNKTOMHWWAQJF-UHFFFAOYSA-N -1 3 386.253 3.786 20 30 GHEDHM C#CC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1ccccc1 ZINC000756976211 1023894482 /nfs/dbraw/zinc/89/44/82/1023894482.db2.gz RNVGMXYNDGBUJS-INIZCTEOSA-N -1 3 399.493 3.731 20 30 GHEDHM N#CCCCn1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC000837673534 1024625249 /nfs/dbraw/zinc/62/52/49/1024625249.db2.gz NVEHUXFVBMTZMV-UHFFFAOYSA-N -1 3 376.416 3.675 20 30 GHEDHM CCOC(=O)c1cc(C)c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163770154 1026311265 /nfs/dbraw/zinc/31/12/65/1026311265.db2.gz GCMPEHJLWMMNRV-UHFFFAOYSA-N -1 3 383.326 3.713 20 30 GHEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC001213651992 1028311882 /nfs/dbraw/zinc/31/18/82/1028311882.db2.gz OAKXVRYEUAERFO-UHFFFAOYSA-N -1 3 376.291 3.921 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc(C2CC2)cc1 ZINC000841608847 1028773374 /nfs/dbraw/zinc/77/33/74/1028773374.db2.gz NIQKUHSNBVWDHX-SFHVURJKSA-N -1 3 378.457 3.839 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1Cl ZINC001216107988 1029526082 /nfs/dbraw/zinc/52/60/82/1029526082.db2.gz MMVRIFYQJQTGKK-UHFFFAOYSA-N -1 3 384.186 3.762 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1Cl ZINC001216107988 1029526093 /nfs/dbraw/zinc/52/60/93/1029526093.db2.gz MMVRIFYQJQTGKK-UHFFFAOYSA-N -1 3 384.186 3.762 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc3ccccc3c2)c(C)c1[O-] ZINC001149133374 1030071142 /nfs/dbraw/zinc/07/11/42/1030071142.db2.gz WZCWRDZTNDSMDS-UHFFFAOYSA-N -1 3 375.384 3.550 20 30 GHEDHM N#Cc1c(F)ccc(NC(=O)c2nc3cc(Br)ccc3[n-]2)c1F ZINC001151826202 1031021475 /nfs/dbraw/zinc/02/14/75/1031021475.db2.gz BITHWHKVZLXVRU-UHFFFAOYSA-N -1 3 377.148 3.728 20 30 GHEDHM N#Cc1c(F)ccc(NC(=O)c2nc3ccc(Br)cc3[n-]2)c1F ZINC001151826202 1031021491 /nfs/dbraw/zinc/02/14/91/1031021491.db2.gz BITHWHKVZLXVRU-UHFFFAOYSA-N -1 3 377.148 3.728 20 30 GHEDHM CCOC(=O)c1cccc([C@@H](Oc2[n-]c(C)cc(=O)c2C#N)C(F)(F)F)c1 ZINC001225469809 1031429117 /nfs/dbraw/zinc/42/91/17/1031429117.db2.gz OHZRYQIFUGANKP-OAHLLOKOSA-N -1 3 380.322 3.826 20 30 GHEDHM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226066655 1031767825 /nfs/dbraw/zinc/76/78/25/1031767825.db2.gz CLUZIRDGKRQYDR-STQMWFEESA-N -1 3 392.381 3.677 20 30 GHEDHM Cn1c(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc2ccc(F)cc21 ZINC001153849663 1031769212 /nfs/dbraw/zinc/76/92/12/1031769212.db2.gz ZQUJDWYUWSINER-UHFFFAOYSA-N -1 3 395.312 3.782 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3[nH]cc(C)c32)c(C)c1[O-] ZINC001154082106 1031917252 /nfs/dbraw/zinc/91/72/52/1031917252.db2.gz MXMQGYMKCFSLLW-UHFFFAOYSA-N -1 3 377.400 3.791 20 30 GHEDHM C[C@@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1ccccc1C#N ZINC001230186356 1033936304 /nfs/dbraw/zinc/93/63/04/1033936304.db2.gz MPWIKUQHBKARKV-MRXNPFEDSA-N -1 3 386.455 3.752 20 30 GHEDHM C[C@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1ccccc1C#N ZINC001230186355 1033936500 /nfs/dbraw/zinc/93/65/00/1033936500.db2.gz MPWIKUQHBKARKV-INIZCTEOSA-N -1 3 386.455 3.752 20 30 GHEDHM CCN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC001160789962 1035067980 /nfs/dbraw/zinc/06/79/80/1035067980.db2.gz UISAUDRTZANIRX-LBPRGKRZSA-N -1 3 381.382 3.901 20 30 GHEDHM COC(=O)c1cc(Cl)cc(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)c1 ZINC001244079114 1036375523 /nfs/dbraw/zinc/37/55/23/1036375523.db2.gz RSZGCFXABXOCPB-UFFVCSGVSA-N -1 3 389.839 3.981 20 30 GHEDHM N#CCCN(Cc1ccccc1)Cc1ccc([O-])c(I)c1 ZINC001232868665 1038631478 /nfs/dbraw/zinc/63/14/78/1038631478.db2.gz PXQZUIFMHFAMNC-UHFFFAOYSA-N -1 3 392.240 3.913 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001233800428 1039624916 /nfs/dbraw/zinc/62/49/16/1039624916.db2.gz QDBGDOAYAZHVKZ-HRPABFDXSA-N -1 3 378.469 3.918 20 30 GHEDHM N#C[C@@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1cccc(F)c1 ZINC001234753089 1040281938 /nfs/dbraw/zinc/28/19/38/1040281938.db2.gz LSQHHNUZJFNLOT-LJQANCHMSA-N -1 3 393.326 3.846 20 30 GHEDHM COc1cc(O[C@@H](C)CS)c2c(=O)cc(-c3ccccc3[O-])oc2c1OC ZINC001234788509 1040320103 /nfs/dbraw/zinc/32/01/03/1040320103.db2.gz WZLDDNSACMYYKF-NSHDSACASA-N -1 3 388.441 3.880 20 30 GHEDHM O=S(=O)([N-]c1cc(F)c(F)c(F)c1F)c1ccc(OC(F)(F)F)cc1 ZINC001255794594 1041304808 /nfs/dbraw/zinc/30/48/08/1041304808.db2.gz BFGWOXIPYMLKKJ-UHFFFAOYSA-N -1 3 389.248 3.942 20 30 GHEDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001236666978 1041815036 /nfs/dbraw/zinc/81/50/36/1041815036.db2.gz YKFQZLNTKBSCPH-UHFFFAOYSA-N -1 3 386.293 3.657 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(Br)ncc3ccccc32)cc1 ZINC001258039337 1044366435 /nfs/dbraw/zinc/36/64/35/1044366435.db2.gz OXBICFUJFPAYLT-UHFFFAOYSA-N -1 3 388.246 3.670 20 30 GHEDHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001294180171 1044510632 /nfs/dbraw/zinc/51/06/32/1044510632.db2.gz CMRUQRONUFRLFG-UHFFFAOYSA-N -1 3 392.386 3.775 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2F)ccc1F ZINC001259418818 1045138201 /nfs/dbraw/zinc/13/82/01/1045138201.db2.gz SOHXOQVZQLFKBJ-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Br)c1 ZINC001260004343 1045350515 /nfs/dbraw/zinc/35/05/15/1045350515.db2.gz GRWJXXMEZHLXID-UHFFFAOYSA-N -1 3 388.246 3.670 20 30 GHEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001260823614 1045690485 /nfs/dbraw/zinc/69/04/85/1045690485.db2.gz ONBJHYKWNHETCK-UHFFFAOYSA-N -1 3 399.255 3.594 20 30 GHEDHM O=S(=O)([N-]Cc1cc(F)c(F)cc1F)c1ccc(F)cc1C(F)(F)F ZINC001261011404 1045831508 /nfs/dbraw/zinc/83/15/08/1045831508.db2.gz SAMUKDJHNCVVDZ-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM Cc1c(Br)ccc([O-])c1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001298513217 1045843748 /nfs/dbraw/zinc/84/37/48/1045843748.db2.gz IXZJWROFAKWWTA-XBXARRHUSA-N -1 3 378.197 3.823 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1F ZINC001261020676 1045847867 /nfs/dbraw/zinc/84/78/67/1045847867.db2.gz DGOMYNZXZPFFQE-UHFFFAOYSA-N -1 3 398.259 3.934 20 30 GHEDHM N#CC[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)C1 ZINC001263687330 1047049250 /nfs/dbraw/zinc/04/92/50/1047049250.db2.gz ZJGLAPSSWDKREY-ZDUSSCGKSA-N -1 3 394.504 3.800 20 30 GHEDHM C#Cc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c(Cl)c1 ZINC001304271672 1047633235 /nfs/dbraw/zinc/63/32/35/1047633235.db2.gz OWWXBQUNMVSKPC-UHFFFAOYSA-N -1 3 392.846 3.759 20 30 GHEDHM C#CCCCCCC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001463323788 1070986994 /nfs/dbraw/zinc/98/69/94/1070986994.db2.gz VEDOPGBHGOQVFK-UHFFFAOYSA-N -1 3 392.253 3.634 20 30 GHEDHM CC(C)(C)OC(=O)NCCCSCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898600 1048950653 /nfs/dbraw/zinc/95/06/53/1048950653.db2.gz KIMFIGFNABEJAF-UHFFFAOYSA-N -1 3 386.489 3.582 20 30 GHEDHM O=C(c1cnnn1-c1cccc(Cl)c1Cl)N([O-])Cc1ccc(F)cc1 ZINC001306898805 1048951367 /nfs/dbraw/zinc/95/13/67/1048951367.db2.gz RCSFBVJAADPYPD-UHFFFAOYSA-N -1 3 381.194 3.745 20 30 GHEDHM N#CC(=C([O-])c1nc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccncn1 ZINC001342580050 1053250820 /nfs/dbraw/zinc/25/08/20/1053250820.db2.gz HMIWMGVXICYWGQ-MRXNPFEDSA-N -1 3 375.407 3.696 20 30 GHEDHM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCCO2)c1nc(N)c2ccccc2n1 ZINC001343273881 1053668839 /nfs/dbraw/zinc/66/88/39/1053668839.db2.gz TWWJEWAYJYYPCS-CYBMUJFWSA-N -1 3 394.818 3.517 20 30 GHEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(OCC#N)c2)c1Cl ZINC001318567381 1054723415 /nfs/dbraw/zinc/72/34/15/1054723415.db2.gz VKMQTWKVBRBZSG-UHFFFAOYSA-N -1 3 385.272 3.683 20 30 GHEDHM CC(C)(C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C#N)o1 ZINC001319107961 1055041451 /nfs/dbraw/zinc/04/14/51/1055041451.db2.gz DVWSABVIDVTQRV-UHFFFAOYSA-N -1 3 382.445 3.674 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1 ZINC001320638087 1055911205 /nfs/dbraw/zinc/91/12/05/1055911205.db2.gz QSAIAYMFNCYAQQ-UHFFFAOYSA-N -1 3 388.452 3.892 20 30 GHEDHM N#Cc1sccc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC001354420619 1056629635 /nfs/dbraw/zinc/62/96/35/1056629635.db2.gz DKZYEHNYMYKAFH-UHFFFAOYSA-N -1 3 383.483 3.888 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1c([O-])cccc1Cl ZINC000848140322 1056748684 /nfs/dbraw/zinc/74/86/84/1056748684.db2.gz OWHQHQYBQYQWBD-ZDUSSCGKSA-N -1 3 381.860 3.961 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@@H]3CCC[C@@H]3C#N)n2CCOC)c1[O-] ZINC001354942480 1056990851 /nfs/dbraw/zinc/99/08/51/1056990851.db2.gz AASOSAPUPHCMIJ-IEBWSBKVSA-N -1 3 395.507 3.544 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N([O-])CCCCc1ccccc1 ZINC001457995429 1063496181 /nfs/dbraw/zinc/49/61/81/1063496181.db2.gz UCCCUJRLKQYOCR-NRFANRHFSA-N -1 3 392.499 3.769 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N([O-])CCCCc1ccccc1 ZINC001458009197 1063503749 /nfs/dbraw/zinc/50/37/49/1063503749.db2.gz QEGQMTWAQQKKME-GOSISDBHSA-N -1 3 376.497 3.921 20 30 GHEDHM CCOc1ccccc1N1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CC1=O ZINC001472619917 1073579189 /nfs/dbraw/zinc/57/91/89/1073579189.db2.gz IYPRAEJDGDOWQF-LJQANCHMSA-N -1 3 396.487 3.679 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC001475499097 1074896771 /nfs/dbraw/zinc/89/67/71/1074896771.db2.gz QUTFKUVEJFFUTP-UHFFFAOYSA-N -1 3 378.372 3.781 20 30 GHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2C1 ZINC000001959631 209343711 /nfs/dbraw/zinc/34/37/11/209343711.db2.gz MMXJWKXUFPJIIB-VIFPVBQESA-N -1 3 386.389 3.813 20 30 GHEDHM O=C1c2cccc(Br)c2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289236 598862475 /nfs/dbraw/zinc/86/24/75/598862475.db2.gz HLMTXPXCYUGCOH-RAXLEYEMSA-N -1 3 397.232 3.678 20 30 GHEDHM O=C1c2cccc(Br)c2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289236 598862477 /nfs/dbraw/zinc/86/24/77/598862477.db2.gz HLMTXPXCYUGCOH-RAXLEYEMSA-N -1 3 397.232 3.678 20 30 GHEDHM N#Cc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737716538 598917379 /nfs/dbraw/zinc/91/73/79/598917379.db2.gz RNZYCJVTJPXWKM-UHFFFAOYSA-N -1 3 386.440 3.622 20 30 GHEDHM N#Cc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737716538 598917381 /nfs/dbraw/zinc/91/73/81/598917381.db2.gz RNZYCJVTJPXWKM-UHFFFAOYSA-N -1 3 386.440 3.622 20 30 GHEDHM FC(F)(F)c1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000822723627 607254695 /nfs/dbraw/zinc/25/46/95/607254695.db2.gz ISIIZONJPXWPJO-UHFFFAOYSA-N -1 3 380.761 3.663 20 30 GHEDHM FC(F)(F)c1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000822723627 607254696 /nfs/dbraw/zinc/25/46/96/607254696.db2.gz ISIIZONJPXWPJO-UHFFFAOYSA-N -1 3 380.761 3.663 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737717748 598979411 /nfs/dbraw/zinc/97/94/11/598979411.db2.gz ANDXDFKHFXKJNW-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737730492 598980434 /nfs/dbraw/zinc/98/04/34/598980434.db2.gz LUJDEGJBZJIMEF-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM COc1ccc(C=NN(Cc2ccccc2)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000737080411 599125497 /nfs/dbraw/zinc/12/54/97/599125497.db2.gz ADAXKMMURPFUKR-UHFFFAOYSA-N -1 3 398.470 3.912 20 30 GHEDHM COc1ccc(C=NN(Cc2ccccc2)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000737080411 599125500 /nfs/dbraw/zinc/12/55/00/599125500.db2.gz ADAXKMMURPFUKR-UHFFFAOYSA-N -1 3 398.470 3.912 20 30 GHEDHM CC(=NNc1ccc(Cl)cc1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451433 599148340 /nfs/dbraw/zinc/14/83/40/599148340.db2.gz ZVSVCYHBQGJOEH-UHFFFAOYSA-N -1 3 392.854 3.850 20 30 GHEDHM COc1ccc(C=C2CCOc3c(Cl)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737085238 599156184 /nfs/dbraw/zinc/15/61/84/599156184.db2.gz ZPQNOSWGNONTAI-FMIVXFBMSA-N -1 3 382.807 3.578 20 30 GHEDHM COc1ccc(C=C2CCOc3c(Cl)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737085238 599156187 /nfs/dbraw/zinc/15/61/87/599156187.db2.gz ZPQNOSWGNONTAI-FMIVXFBMSA-N -1 3 382.807 3.578 20 30 GHEDHM Cc1ccsc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737441289 599158681 /nfs/dbraw/zinc/15/86/81/599158681.db2.gz CRTOKIKVRVDGDK-BQYQJAHWSA-N -1 3 376.445 3.627 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1C(F)(F)F ZINC000735448589 599195550 /nfs/dbraw/zinc/19/55/50/599195550.db2.gz SMAIZVGQGQAQIY-DHZHZOJOSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1C(F)(F)F ZINC000735448589 599195552 /nfs/dbraw/zinc/19/55/52/599195552.db2.gz SMAIZVGQGQAQIY-DHZHZOJOSA-N -1 3 398.348 3.799 20 30 GHEDHM Fc1cc(Br)cc2c1CCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000737643282 598512733 /nfs/dbraw/zinc/51/27/33/598512733.db2.gz FBBJQBUNEMMMMO-UHFFFAOYSA-N -1 3 387.216 3.531 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737730046 598554170 /nfs/dbraw/zinc/55/41/70/598554170.db2.gz FAMCYGRSBXPXAK-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737730046 598554171 /nfs/dbraw/zinc/55/41/71/598554171.db2.gz FAMCYGRSBXPXAK-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735977950 598555025 /nfs/dbraw/zinc/55/50/25/598555025.db2.gz YIWSRDAYXXZRLZ-IWMPZKFUSA-N -1 3 390.472 3.913 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735977950 598555028 /nfs/dbraw/zinc/55/50/28/598555028.db2.gz YIWSRDAYXXZRLZ-IWMPZKFUSA-N -1 3 390.472 3.913 20 30 GHEDHM COc1cccc2cc(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)oc21 ZINC000737143463 598639312 /nfs/dbraw/zinc/63/93/12/598639312.db2.gz RLAFEWDHISVYFJ-HJWRWDBZSA-N -1 3 389.415 3.574 20 30 GHEDHM COc1cccc2cc(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)oc21 ZINC000737143463 598639313 /nfs/dbraw/zinc/63/93/13/598639313.db2.gz RLAFEWDHISVYFJ-HJWRWDBZSA-N -1 3 389.415 3.574 20 30 GHEDHM CCN(CC)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736531037 598639961 /nfs/dbraw/zinc/63/99/61/598639961.db2.gz BSZPEGDRPYRADE-JLHYYAGUSA-N -1 3 390.491 3.665 20 30 GHEDHM CCN(CC)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736531037 598639962 /nfs/dbraw/zinc/63/99/62/598639962.db2.gz BSZPEGDRPYRADE-JLHYYAGUSA-N -1 3 390.491 3.665 20 30 GHEDHM N#CCc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737697857 598650658 /nfs/dbraw/zinc/65/06/58/598650658.db2.gz NUUXTJMQHLWHLU-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737697857 598650659 /nfs/dbraw/zinc/65/06/59/598650659.db2.gz NUUXTJMQHLWHLU-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CSc1ccccc1 ZINC000735418344 598655787 /nfs/dbraw/zinc/65/57/87/598655787.db2.gz BFGPWIUZNKXQJV-INIZCTEOSA-N -1 3 393.516 3.810 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)CSc1ccccc1 ZINC000735418344 598655788 /nfs/dbraw/zinc/65/57/88/598655788.db2.gz BFGPWIUZNKXQJV-INIZCTEOSA-N -1 3 393.516 3.810 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1cccc(C#N)c1 ZINC000736741015 598656959 /nfs/dbraw/zinc/65/69/59/598656959.db2.gz KAIDAQWLILXOSW-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccc(C#N)c1 ZINC000736741015 598656961 /nfs/dbraw/zinc/65/69/61/598656961.db2.gz KAIDAQWLILXOSW-UHFFFAOYSA-N -1 3 396.410 3.807 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000735391324 598659853 /nfs/dbraw/zinc/65/98/53/598659853.db2.gz PMWJJMDIHLWBGM-UHFFFAOYSA-N -1 3 395.422 3.917 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000735391324 598659854 /nfs/dbraw/zinc/65/98/54/598659854.db2.gz PMWJJMDIHLWBGM-UHFFFAOYSA-N -1 3 395.422 3.917 20 30 GHEDHM C=CCc1ccccc1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735443594 598732878 /nfs/dbraw/zinc/73/28/78/598732878.db2.gz XRTFUFRCEHXTKD-UHFFFAOYSA-N -1 3 378.432 3.750 20 30 GHEDHM C=CCc1ccccc1OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735443594 598732880 /nfs/dbraw/zinc/73/28/80/598732880.db2.gz XRTFUFRCEHXTKD-UHFFFAOYSA-N -1 3 378.432 3.750 20 30 GHEDHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)c1ccc(C#N)cc1 ZINC000736139400 598770086 /nfs/dbraw/zinc/77/00/86/598770086.db2.gz QITFZPJQAGVOQK-JTQLQIEISA-N -1 3 377.358 3.738 20 30 GHEDHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccc(C#N)cc1 ZINC000736139400 598770088 /nfs/dbraw/zinc/77/00/88/598770088.db2.gz QITFZPJQAGVOQK-JTQLQIEISA-N -1 3 377.358 3.738 20 30 GHEDHM C=CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735436891 598772990 /nfs/dbraw/zinc/77/29/90/598772990.db2.gz SNBXPXPTGBFYEX-UHFFFAOYSA-N -1 3 394.385 3.870 20 30 GHEDHM C=CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735436891 598772991 /nfs/dbraw/zinc/77/29/91/598772991.db2.gz SNBXPXPTGBFYEX-UHFFFAOYSA-N -1 3 394.385 3.870 20 30 GHEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)CCC1 ZINC000737673898 599373518 /nfs/dbraw/zinc/37/35/18/599373518.db2.gz FAMPKERSMNISTP-UHFFFAOYSA-N -1 3 394.822 3.945 20 30 GHEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)CCC1 ZINC000737673898 599373519 /nfs/dbraw/zinc/37/35/19/599373519.db2.gz FAMPKERSMNISTP-UHFFFAOYSA-N -1 3 394.822 3.945 20 30 GHEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c2ccccc12 ZINC000737067146 599460285 /nfs/dbraw/zinc/46/02/85/599460285.db2.gz RPTKIMZCVJQTRZ-CLFYSBASSA-N -1 3 396.410 3.572 20 30 GHEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c2ccccc12 ZINC000737067146 599460287 /nfs/dbraw/zinc/46/02/87/599460287.db2.gz RPTKIMZCVJQTRZ-CLFYSBASSA-N -1 3 396.410 3.572 20 30 GHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738291669 599465013 /nfs/dbraw/zinc/46/50/13/599465013.db2.gz VXIXTSHSNAYKLL-YHYXMXQVSA-N -1 3 397.225 3.644 20 30 GHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738291669 599465015 /nfs/dbraw/zinc/46/50/15/599465015.db2.gz VXIXTSHSNAYKLL-YHYXMXQVSA-N -1 3 397.225 3.644 20 30 GHEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000736095205 599995785 /nfs/dbraw/zinc/99/57/85/599995785.db2.gz MPPBQLQGNWSYPI-UHFFFAOYSA-N -1 3 391.537 3.557 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504070 607459017 /nfs/dbraw/zinc/45/90/17/607459017.db2.gz LNUHQGLWOYZQCC-DCQZTHCWSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504070 607459018 /nfs/dbraw/zinc/45/90/18/607459018.db2.gz LNUHQGLWOYZQCC-DCQZTHCWSA-N -1 3 391.362 3.744 20 30 GHEDHM Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1nc(Cl)c(Cl)cc1Cl ZINC000822741518 607463977 /nfs/dbraw/zinc/46/39/77/607463977.db2.gz YGSCBJBVMIQSIT-UHFFFAOYSA-N -1 3 386.605 3.807 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833063253 601237018 /nfs/dbraw/zinc/23/70/18/601237018.db2.gz HNQJAZPODBUVMS-SCVCMEIPSA-N -1 3 383.231 3.532 20 30 GHEDHM N#CCC[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826381552 607648725 /nfs/dbraw/zinc/64/87/25/607648725.db2.gz PXQXMKBRAKTRME-INIZCTEOSA-N -1 3 397.895 3.852 20 30 GHEDHM N#CCC[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826381552 607648727 /nfs/dbraw/zinc/64/87/27/607648727.db2.gz PXQXMKBRAKTRME-INIZCTEOSA-N -1 3 397.895 3.852 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000826250804 607687350 /nfs/dbraw/zinc/68/73/50/607687350.db2.gz SWVHBRMIRKMSEX-GFCCVEGCSA-N -1 3 378.461 3.679 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000826250804 607687352 /nfs/dbraw/zinc/68/73/52/607687352.db2.gz SWVHBRMIRKMSEX-GFCCVEGCSA-N -1 3 378.461 3.679 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833063631 604882051 /nfs/dbraw/zinc/88/20/51/604882051.db2.gz KMQAJKMDTGKOBU-LLVKDONJSA-N -1 3 395.173 3.792 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822241494 606329280 /nfs/dbraw/zinc/32/92/80/606329280.db2.gz YCEVWYMNGPTRPH-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822241494 606329282 /nfs/dbraw/zinc/32/92/82/606329282.db2.gz YCEVWYMNGPTRPH-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000822924256 606391802 /nfs/dbraw/zinc/39/18/02/606391802.db2.gz ZNSKNKPZFKHQIR-FNORWQNLSA-N -1 3 380.351 3.765 20 30 GHEDHM Cc1cc2cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)oc2cc1C ZINC000822212965 606429381 /nfs/dbraw/zinc/42/93/81/606429381.db2.gz ORFWXUVOCNVGQW-SNAWJCMRSA-N -1 3 384.399 3.774 20 30 GHEDHM Cc1cc2cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)oc2cc1C ZINC000822212965 606429383 /nfs/dbraw/zinc/42/93/83/606429383.db2.gz ORFWXUVOCNVGQW-SNAWJCMRSA-N -1 3 384.399 3.774 20 30 GHEDHM N#Cc1cccc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000822837401 606447355 /nfs/dbraw/zinc/44/73/55/606447355.db2.gz NBOANPKCGLPFCS-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cccc(CNc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000822837401 606447357 /nfs/dbraw/zinc/44/73/57/606447357.db2.gz NBOANPKCGLPFCS-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822818844 606515424 /nfs/dbraw/zinc/51/54/24/606515424.db2.gz HUZUAKZJOPEBMY-UHFFFAOYSA-N -1 3 386.440 3.648 20 30 GHEDHM N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822818844 606515425 /nfs/dbraw/zinc/51/54/25/606515425.db2.gz HUZUAKZJOPEBMY-UHFFFAOYSA-N -1 3 386.440 3.648 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000819743742 606714893 /nfs/dbraw/zinc/71/48/93/606714893.db2.gz POIPNCZKVRMHAK-MRXNPFEDSA-N -1 3 383.496 3.509 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000819743742 606714894 /nfs/dbraw/zinc/71/48/94/606714894.db2.gz POIPNCZKVRMHAK-MRXNPFEDSA-N -1 3 383.496 3.509 20 30 GHEDHM CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825829362 607789192 /nfs/dbraw/zinc/78/91/92/607789192.db2.gz CTHUOMDIEDLUIH-UHFFFAOYSA-N -1 3 379.423 3.543 20 30 GHEDHM CN(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825829362 607789193 /nfs/dbraw/zinc/78/91/93/607789193.db2.gz CTHUOMDIEDLUIH-UHFFFAOYSA-N -1 3 379.423 3.543 20 30 GHEDHM N#Cc1cccc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)n1 ZINC000826387099 607898373 /nfs/dbraw/zinc/89/83/73/607898373.db2.gz GGNRPSFLFZUFKB-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM N#Cc1cccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)n1 ZINC000826387099 607898374 /nfs/dbraw/zinc/89/83/74/607898374.db2.gz GGNRPSFLFZUFKB-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM C#CC[C@H](NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823837663 607940427 /nfs/dbraw/zinc/94/04/27/607940427.db2.gz FIICKYDZLUKKNR-FQEVSTJZSA-N -1 3 388.475 3.553 20 30 GHEDHM C#CC[C@H](NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837663 607940428 /nfs/dbraw/zinc/94/04/28/607940428.db2.gz FIICKYDZLUKKNR-FQEVSTJZSA-N -1 3 388.475 3.553 20 30 GHEDHM C#CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccccc1 ZINC000823837978 607959852 /nfs/dbraw/zinc/95/98/52/607959852.db2.gz JXYVQNIOXARQFX-KRWDZBQOSA-N -1 3 390.447 3.540 20 30 GHEDHM C#CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccccc1 ZINC000823837978 607959853 /nfs/dbraw/zinc/95/98/53/607959853.db2.gz JXYVQNIOXARQFX-KRWDZBQOSA-N -1 3 390.447 3.540 20 30 GHEDHM C=C[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000823883294 607979259 /nfs/dbraw/zinc/97/92/59/607979259.db2.gz NTPAIMGEJOCELW-SFHVURJKSA-N -1 3 375.476 3.964 20 30 GHEDHM C=C[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000823883294 607979260 /nfs/dbraw/zinc/97/92/60/607979260.db2.gz NTPAIMGEJOCELW-SFHVURJKSA-N -1 3 375.476 3.964 20 30 GHEDHM C[C@@H](C#N)COC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824035251 608075483 /nfs/dbraw/zinc/07/54/83/608075483.db2.gz VBDUMKKSOBSLTL-NSHDSACASA-N -1 3 383.795 3.629 20 30 GHEDHM C[C@@H](C#N)COC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824035251 608075484 /nfs/dbraw/zinc/07/54/84/608075484.db2.gz VBDUMKKSOBSLTL-NSHDSACASA-N -1 3 383.795 3.629 20 30 GHEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(OC(F)F)cc1 ZINC000825028202 608535343 /nfs/dbraw/zinc/53/53/43/608535343.db2.gz FYNTWHBFCLTHQI-UHFFFAOYSA-N -1 3 393.785 3.743 20 30 GHEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(OC(F)F)cc1 ZINC000825028202 608535344 /nfs/dbraw/zinc/53/53/44/608535344.db2.gz FYNTWHBFCLTHQI-UHFFFAOYSA-N -1 3 393.785 3.743 20 30 GHEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)cc2)CC1 ZINC000826380214 609205775 /nfs/dbraw/zinc/20/57/75/609205775.db2.gz RIYBSSSZKLTBEV-UHFFFAOYSA-N -1 3 398.348 3.693 20 30 GHEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)cc2)CC1 ZINC000826380214 609205778 /nfs/dbraw/zinc/20/57/78/609205778.db2.gz RIYBSSSZKLTBEV-UHFFFAOYSA-N -1 3 398.348 3.693 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnn(-c2ccccc2)c1 ZINC000823958534 609470396 /nfs/dbraw/zinc/47/03/96/609470396.db2.gz PWIJUXGSMAAWKK-UHFFFAOYSA-N -1 3 378.827 3.542 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnn(-c2ccccc2)c1 ZINC000823958534 609470398 /nfs/dbraw/zinc/47/03/98/609470398.db2.gz PWIJUXGSMAAWKK-UHFFFAOYSA-N -1 3 378.827 3.542 20 30 GHEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OCCCC#N)c1 ZINC000824323832 609477917 /nfs/dbraw/zinc/47/79/17/609477917.db2.gz BWWKEIZPGUXKRY-UHFFFAOYSA-N -1 3 392.463 3.949 20 30 GHEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OCCCC#N)c1 ZINC000824323832 609477918 /nfs/dbraw/zinc/47/79/18/609477918.db2.gz BWWKEIZPGUXKRY-UHFFFAOYSA-N -1 3 392.463 3.949 20 30 GHEDHM N#Cc1csc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000826387534 609485401 /nfs/dbraw/zinc/48/54/01/609485401.db2.gz AENOFOOTLVJGPT-UHFFFAOYSA-N -1 3 388.456 3.991 20 30 GHEDHM N#Cc1csc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000826387534 609485402 /nfs/dbraw/zinc/48/54/02/609485402.db2.gz AENOFOOTLVJGPT-UHFFFAOYSA-N -1 3 388.456 3.991 20 30 GHEDHM Cc1cccc(C2(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCCC2)c1 ZINC000066511691 837590644 /nfs/dbraw/zinc/59/06/44/837590644.db2.gz CTQNRXWFGVNIIU-UHFFFAOYSA-N -1 3 377.488 3.690 20 30 GHEDHM Cc1ccc(C(C)(C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000584070575 835544006 /nfs/dbraw/zinc/54/40/06/835544006.db2.gz NYEYVQRUEVEIDA-UHFFFAOYSA-N -1 3 379.504 3.919 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)NCc3ncccc3[O-])cc2F)c1 ZINC000471273691 836712298 /nfs/dbraw/zinc/71/22/98/836712298.db2.gz QUBUPWALJAYCBG-UHFFFAOYSA-N -1 3 392.390 3.699 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000103125084 838224047 /nfs/dbraw/zinc/22/40/47/838224047.db2.gz MGPBGEBSMXUVDU-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000178317881 838321342 /nfs/dbraw/zinc/32/13/42/838321342.db2.gz AZUVFNAKMJYCJP-NSHDSACASA-N -1 3 386.358 3.653 20 30 GHEDHM N[C@@](C(=O)Nc1cc(F)ccc1[O-])(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000431858747 838656273 /nfs/dbraw/zinc/65/62/73/838656273.db2.gz PEUTUODNSKVXPK-CQSZACIVSA-N -1 3 396.262 3.905 20 30 GHEDHM COC(=O)c1c(F)cc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)cc1F ZINC000512554903 844514091 /nfs/dbraw/zinc/51/40/91/844514091.db2.gz KMXKDUMZEQTGEQ-UHFFFAOYSA-N -1 3 383.310 3.530 20 30 GHEDHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000417633431 841073161 /nfs/dbraw/zinc/07/31/61/841073161.db2.gz BFMKKBMFAIRSMN-BMIGLBTASA-N -1 3 379.279 3.934 20 30 GHEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc(Cl)sc3Cl)n2)cc1 ZINC000178003771 841396364 /nfs/dbraw/zinc/39/63/64/841396364.db2.gz AUUPNFCBUOVPBV-UHFFFAOYSA-N -1 3 378.244 3.819 20 30 GHEDHM O=C1CCCC(=O)N1c1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255385393 842615875 /nfs/dbraw/zinc/61/58/75/842615875.db2.gz YDZFCOUMZKSBLQ-UHFFFAOYSA-N -1 3 387.233 3.949 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000657037094 842663746 /nfs/dbraw/zinc/66/37/46/842663746.db2.gz UQXOEEHIJUIGGM-SWLSCSKDSA-N -1 3 388.892 3.851 20 30 GHEDHM COC(=O)c1ccc(C(C)C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000467083681 843112090 /nfs/dbraw/zinc/11/20/90/843112090.db2.gz VDRRHQVATVLXHY-UHFFFAOYSA-N -1 3 395.459 3.757 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000432653842 843364680 /nfs/dbraw/zinc/36/46/80/843364680.db2.gz OIMQMYNSZCVXJC-UHFFFAOYSA-N -1 3 383.242 3.878 20 30 GHEDHM CC(C)(C)n1cnc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2OC3)n1 ZINC000572461409 843571590 /nfs/dbraw/zinc/57/15/90/843571590.db2.gz IDRYGBRWNLXBQD-UHFFFAOYSA-N -1 3 379.445 3.778 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CC2)c(F)c1 ZINC000572651522 843927161 /nfs/dbraw/zinc/92/71/61/843927161.db2.gz FJXIWLIHQWFBRA-UHFFFAOYSA-N -1 3 384.354 3.684 20 30 GHEDHM CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000729240729 844801376 /nfs/dbraw/zinc/80/13/76/844801376.db2.gz YGSLPLPMSQCZJP-RUDMXATFSA-N -1 3 395.864 3.712 20 30 GHEDHM N#Cc1cc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)ccn1 ZINC000610955981 844910625 /nfs/dbraw/zinc/91/06/25/844910625.db2.gz DUVMKVBVIQJLDT-UHFFFAOYSA-N -1 3 394.847 3.733 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccnc2ccccc12 ZINC000731314229 861554070 /nfs/dbraw/zinc/55/40/70/861554070.db2.gz GXDDUTUTJVSAMI-GOSISDBHSA-N -1 3 389.440 3.510 20 30 GHEDHM COc1cc(C=NNc2ccc(Br)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000728433215 845414593 /nfs/dbraw/zinc/41/45/93/845414593.db2.gz XWZZSFXVHXZBQZ-UHFFFAOYSA-N -1 3 380.198 3.826 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)c2)cc1 ZINC000135564644 848132455 /nfs/dbraw/zinc/13/24/55/848132455.db2.gz YFZNXTAKPDAMSZ-UHFFFAOYSA-N -1 3 396.410 3.707 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)c2)cc1 ZINC000135564644 848132464 /nfs/dbraw/zinc/13/24/64/848132464.db2.gz YFZNXTAKPDAMSZ-UHFFFAOYSA-N -1 3 396.410 3.707 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCCCC1 ZINC000514638781 850090287 /nfs/dbraw/zinc/09/02/87/850090287.db2.gz NINTWIBHKKYZRV-CYBMUJFWSA-N -1 3 391.718 3.853 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(O)c3ccccc23)no1 ZINC000436615188 852116310 /nfs/dbraw/zinc/11/63/10/852116310.db2.gz CUTWLZDBQFBRIS-UHFFFAOYSA-N -1 3 386.411 3.970 20 30 GHEDHM C=C[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436821491 852391158 /nfs/dbraw/zinc/39/11/58/852391158.db2.gz KWXBSZJWXXYXNY-CTNGQTDRSA-N -1 3 378.472 3.821 20 30 GHEDHM C[C@@H]1C[C@@H]1c1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)o1 ZINC000732763177 862481004 /nfs/dbraw/zinc/48/10/04/862481004.db2.gz AGCQMSPOJWWSTD-ZUCKAHLUSA-N -1 3 382.445 3.678 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)cc(=O)[n-]1 ZINC000328856426 854579893 /nfs/dbraw/zinc/57/98/93/854579893.db2.gz UGXWSQLNYHKNIO-DBVUQKKJSA-N -1 3 394.475 3.831 20 30 GHEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000487386848 854993964 /nfs/dbraw/zinc/99/39/64/854993964.db2.gz CQEYSTMGACYUOX-OAHLLOKOSA-N -1 3 385.272 3.531 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)CC1CCC1 ZINC000057399394 855378682 /nfs/dbraw/zinc/37/86/82/855378682.db2.gz VPEGDMGVLUCLBH-UHFFFAOYSA-N -1 3 377.488 3.625 20 30 GHEDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC000330247823 862693029 /nfs/dbraw/zinc/69/30/29/862693029.db2.gz YZVZCAYXDXFILM-AWEZNQCLSA-N -1 3 380.872 3.689 20 30 GHEDHM CCc1nc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c(C)o1 ZINC000507803977 856142805 /nfs/dbraw/zinc/14/28/05/856142805.db2.gz CIRPPYLWAWRSHU-UHFFFAOYSA-N -1 3 385.474 3.813 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000173837272 857166016 /nfs/dbraw/zinc/16/60/16/857166016.db2.gz HOKNFEYVWVXYKM-LLVKDONJSA-N -1 3 393.387 3.602 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(CN3CCOCC3)c2)s1 ZINC000672588850 857507020 /nfs/dbraw/zinc/50/70/20/857507020.db2.gz UBSSLZOMLWNOBN-KRWDZBQOSA-N -1 3 383.517 3.763 20 30 GHEDHM C=CCSc1ccccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000486481423 857779230 /nfs/dbraw/zinc/77/92/30/857779230.db2.gz UFCFCRRILJOPHK-UHFFFAOYSA-N -1 3 380.429 3.937 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000593563123 860379709 /nfs/dbraw/zinc/37/97/09/860379709.db2.gz RIYMFKOKODZAQW-LLVKDONJSA-N -1 3 380.466 3.587 20 30 GHEDHM COCCN(Cc1ccc(C)cc1C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000603520546 860775926 /nfs/dbraw/zinc/77/59/26/860775926.db2.gz LVRSGEYNYDNQFZ-UHFFFAOYSA-N -1 3 395.503 3.500 20 30 GHEDHM N#CC1(NC(=O)CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1 ZINC000329225162 861166974 /nfs/dbraw/zinc/16/69/74/861166974.db2.gz FZZANGSGPAGAJJ-UHFFFAOYSA-N -1 3 390.871 3.748 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000015825192 863146635 /nfs/dbraw/zinc/14/66/35/863146635.db2.gz RQFPQDQYEQEIOM-CQSZACIVSA-N -1 3 394.500 3.625 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000609763770 864760545 /nfs/dbraw/zinc/76/05/45/864760545.db2.gz LPIIIXSSXHHCJH-UHFFFAOYSA-N -1 3 377.448 3.778 20 30 GHEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000735688070 864933325 /nfs/dbraw/zinc/93/33/25/864933325.db2.gz PVMBPYHVXBQCCM-UHFFFAOYSA-N -1 3 392.806 3.941 20 30 GHEDHM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)NC1=O ZINC000171567397 865296761 /nfs/dbraw/zinc/29/67/61/865296761.db2.gz SAZONKYYABVYIN-CMPLNLGQSA-N -1 3 396.353 3.641 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)s2)c1 ZINC000127173166 865925333 /nfs/dbraw/zinc/92/53/33/865925333.db2.gz WEJDUKUZBSOZOL-MRXNPFEDSA-N -1 3 377.425 3.780 20 30 GHEDHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000112258339 867051190 /nfs/dbraw/zinc/05/11/90/867051190.db2.gz NTTXFJSNUOSRHA-QFIPXVFZSA-N -1 3 379.504 3.960 20 30 GHEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000479158257 867255894 /nfs/dbraw/zinc/25/58/94/867255894.db2.gz PCAUFTKVSBKQAA-YGRLFVJLSA-N -1 3 391.718 3.853 20 30 GHEDHM C=CCCC(C)(C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000620857952 867768464 /nfs/dbraw/zinc/76/84/64/867768464.db2.gz PZUMRBUEJMUTKD-UHFFFAOYSA-N -1 3 387.505 3.813 20 30 GHEDHM O=C1C[C@H](/N=C\c2cc(Br)ccc2[O-])CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000743045203 867779339 /nfs/dbraw/zinc/77/93/39/867779339.db2.gz ZFBSMVSWFUYYBC-YJXGPCPWSA-N -1 3 399.288 3.731 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C1CC1 ZINC000744025189 868536059 /nfs/dbraw/zinc/53/60/59/868536059.db2.gz IRHIFEXQRYJAKJ-ZDUSSCGKSA-N -1 3 390.415 3.573 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1F ZINC001194501896 871751700 /nfs/dbraw/zinc/75/17/00/871751700.db2.gz SCCKKWINZGOJJL-UHFFFAOYSA-N -1 3 397.765 3.978 20 30 GHEDHM N#Cc1c(F)c(Br)ccc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195420497 872407802 /nfs/dbraw/zinc/40/78/02/872407802.db2.gz JZAQYFZLRZEQEX-UHFFFAOYSA-N -1 3 378.226 3.587 20 30 GHEDHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000921138589 882624636 /nfs/dbraw/zinc/62/46/36/882624636.db2.gz SNPLOWRYNADXMH-OAHLLOKOSA-N -1 3 381.476 3.662 20 30 GHEDHM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001197310376 873699321 /nfs/dbraw/zinc/69/93/21/873699321.db2.gz ZDHUCDJJUXKEKM-UHFFFAOYSA-N -1 3 397.866 3.641 20 30 GHEDHM N#CC(=C([O-])c1cccc(NC(=O)NC2CC2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464402418 873815352 /nfs/dbraw/zinc/81/53/52/873815352.db2.gz DWLXWEDVIKWKPH-OAHLLOKOSA-N -1 3 388.349 3.874 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000775934831 874795569 /nfs/dbraw/zinc/79/55/69/874795569.db2.gz QWGUXBWKNUEGNJ-SECBINFHSA-N -1 3 379.199 3.755 20 30 GHEDHM CC(C)(C)OC(=O)[C@@H](C([O-])=C(C#N)c1cnc2ccccc2n1)C1CCCC1 ZINC000850984805 877320377 /nfs/dbraw/zinc/32/03/77/877320377.db2.gz BXQZPUGVNJINSX-HNAYVOBHSA-N -1 3 379.460 3.954 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2cnc(-c3ccncc3)s2)c(C#N)c1C ZINC000610168443 877473574 /nfs/dbraw/zinc/47/35/74/877473574.db2.gz YBRBAWRVJMWSOG-UHFFFAOYSA-N -1 3 398.469 3.876 20 30 GHEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)cc1F ZINC000537750166 878238163 /nfs/dbraw/zinc/23/81/63/878238163.db2.gz VHRHDSVMQIIUNL-CQSZACIVSA-N -1 3 390.333 3.835 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCCC1 ZINC000451941392 878717103 /nfs/dbraw/zinc/71/71/03/878717103.db2.gz OACHLMJQBCRIDY-UHFFFAOYSA-N -1 3 388.892 3.995 20 30 GHEDHM COc1cc(C)nc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000776767228 880194912 /nfs/dbraw/zinc/19/49/12/880194912.db2.gz BJTRWIBFNPRMQW-UHFFFAOYSA-N -1 3 396.472 3.645 20 30 GHEDHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC#Cc1ccccc1 ZINC000791320710 880328353 /nfs/dbraw/zinc/32/83/53/880328353.db2.gz BTELJAWPPKPKHC-QHCPKHFHSA-N -1 3 399.446 3.848 20 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ZINC000860472282 884713058 /nfs/dbraw/zinc/71/30/58/884713058.db2.gz GYFOTAXLJZZZFB-DTKQMDLBSA-N -1 3 396.487 3.969 20 30 GHEDHM FC(F)(F)c1cc(Br)ccc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000794494149 886903417 /nfs/dbraw/zinc/90/34/17/886903417.db2.gz KNVPNJOFUADVQC-UHFFFAOYSA-N -1 3 385.147 3.580 20 30 GHEDHM CCCCN([O-])C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC001184315219 913122982 /nfs/dbraw/zinc/12/29/82/913122982.db2.gz VHCMNFKSOAOOQE-MRXNPFEDSA-N -1 3 376.453 3.887 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1[O-] ZINC000794833217 888282931 /nfs/dbraw/zinc/28/29/31/888282931.db2.gz MDYBRYNLNFFQBM-UHFFFAOYSA-N -1 3 376.281 3.959 20 30 GHEDHM CCOc1cc(C=NNCc2ccc(F)c(F)c2)cc(Br)c1[O-] ZINC000915975636 888592813 /nfs/dbraw/zinc/59/28/13/888592813.db2.gz VDMQDASFYYLUSF-UHFFFAOYSA-N -1 3 385.208 3.955 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(CSCc3ccco3)nc(=O)c2c1C ZINC000053844633 888696611 /nfs/dbraw/zinc/69/66/11/888696611.db2.gz QFEZOKRLXMAOLH-UHFFFAOYSA-N -1 3 376.459 3.662 20 30 GHEDHM COc1ccc(CNC(=S)NN=C(C)c2ccc3ccccc3c2[O-])cc1 ZINC000916283346 888873862 /nfs/dbraw/zinc/87/38/62/888873862.db2.gz WOCZNDDTNPXODH-UHFFFAOYSA-N -1 3 379.485 3.942 20 30 GHEDHM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1CN1CCCCC1 ZINC000763367371 888926956 /nfs/dbraw/zinc/92/69/56/888926956.db2.gz BYPTULVHVWWXJJ-UHFFFAOYSA-N -1 3 382.464 3.610 20 30 GHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000794942247 889007234 /nfs/dbraw/zinc/00/72/34/889007234.db2.gz LMBXNUQLYKXBIL-FNORWQNLSA-N -1 3 388.338 3.605 20 30 GHEDHM C=C(C)COC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000916587649 889147916 /nfs/dbraw/zinc/14/79/16/889147916.db2.gz RWRSTENEACQFHF-UHFFFAOYSA-N -1 3 380.293 3.661 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Br)c3cccnc23)c1 ZINC000811188666 889275996 /nfs/dbraw/zinc/27/59/96/889275996.db2.gz SNNFOQGPSNUHAZ-UHFFFAOYSA-N -1 3 383.201 3.932 20 30 GHEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc4cc(Cl)sc4[n-]3)C2=O)cc1 ZINC000811396742 889537629 /nfs/dbraw/zinc/53/76/29/889537629.db2.gz RZKGUJAURHYMHS-CQSZACIVSA-N -1 3 385.832 3.717 20 30 GHEDHM COc1cc(C/N=C\c2c([O-])c(C)ncc2CO)ccc1OCc1ccccc1 ZINC000747712601 889566025 /nfs/dbraw/zinc/56/60/25/889566025.db2.gz CPUDXMLUVLXAFO-CFRMEGHHSA-N -1 3 392.455 3.795 20 30 GHEDHM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OCC ZINC001132935005 889826785 /nfs/dbraw/zinc/82/67/85/889826785.db2.gz WYXFMTLGQVEUNQ-CYBMUJFWSA-N -1 3 390.224 3.555 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1c(Cl)cncc1Cl ZINC000869335885 889889179 /nfs/dbraw/zinc/88/91/79/889889179.db2.gz SQCCCGXVTKKMPN-UHFFFAOYSA-N -1 3 380.231 3.654 20 30 GHEDHM C#C[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)c1ccc(F)cc1 ZINC000812315668 890532407 /nfs/dbraw/zinc/53/24/07/890532407.db2.gz XZXSNOJPBBAMFP-SFHVURJKSA-N -1 3 376.391 3.793 20 30 GHEDHM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n2n1 ZINC000917431098 891991459 /nfs/dbraw/zinc/99/14/59/891991459.db2.gz YXHXAIQQBCPQCW-GFCCVEGCSA-N -1 3 380.358 3.581 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2cccc(OCc3ccccn3)c2)c1[O-] ZINC000917558930 892166992 /nfs/dbraw/zinc/16/69/92/892166992.db2.gz CVSNDBPTOUVLIJ-JNXALSOLSA-N -1 3 377.444 3.742 20 30 GHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1sc(-c2ccccc2)nc1C ZINC000814816727 893202775 /nfs/dbraw/zinc/20/27/75/893202775.db2.gz TUKFNPBUJGCITK-UHFFFAOYSA-N -1 3 385.514 3.962 20 30 GHEDHM C=CCN(CCc1ccco1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000498282950 893878815 /nfs/dbraw/zinc/87/88/15/893878815.db2.gz WYIAXMVAKWURSG-UHFFFAOYSA-N -1 3 379.254 3.688 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccnc(C(F)(F)F)c2)no1 ZINC000288985760 913983756 /nfs/dbraw/zinc/98/37/56/913983756.db2.gz CSODJRYVSFSYCG-UHFFFAOYSA-N -1 3 389.337 3.525 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1OC(C)C ZINC000826215091 896356461 /nfs/dbraw/zinc/35/64/61/896356461.db2.gz GLNNJCAAWSOMTN-NTMALXAHSA-N -1 3 382.395 3.698 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1OC(C)C ZINC000826215091 896356478 /nfs/dbraw/zinc/35/64/78/896356478.db2.gz GLNNJCAAWSOMTN-NTMALXAHSA-N -1 3 382.395 3.698 20 30 GHEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000820174991 897214482 /nfs/dbraw/zinc/21/44/82/897214482.db2.gz QCHQTHKZYIDFAO-CYBMUJFWSA-N -1 3 381.215 3.506 20 30 GHEDHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCN1c1c(F)cccc1F ZINC000132475722 897794588 /nfs/dbraw/zinc/79/45/88/897794588.db2.gz RFBDXFZWXBKOQL-SLSPDHCBSA-N -1 3 395.203 3.657 20 30 GHEDHM Cc1coc(NC(=O)CCCCCCCNC(=O)c2ccccc2[O-])c1C#N ZINC001185930943 914210800 /nfs/dbraw/zinc/21/08/00/914210800.db2.gz PCTWSBYZZPNJGH-UHFFFAOYSA-N -1 3 383.448 3.874 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2OC(F)F)cc1-c1nnn[n-]1 ZINC000821787107 898074822 /nfs/dbraw/zinc/07/48/22/898074822.db2.gz OGJOFRBXPUYWGF-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2OC(F)F)cc1-c1nn[n-]n1 ZINC000821787107 898074829 /nfs/dbraw/zinc/07/48/29/898074829.db2.gz OGJOFRBXPUYWGF-KXFIGUGUSA-N -1 3 390.321 3.512 20 30 GHEDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C#Cc2cccs2)c1 ZINC000823107932 898829565 /nfs/dbraw/zinc/82/95/65/898829565.db2.gz GRPIVSHLTAMMTR-UHFFFAOYSA-N -1 3 385.452 3.509 20 30 GHEDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C#Cc2cccs2)c1 ZINC000823107932 898829570 /nfs/dbraw/zinc/82/95/70/898829570.db2.gz GRPIVSHLTAMMTR-UHFFFAOYSA-N -1 3 385.452 3.509 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824058924 899364728 /nfs/dbraw/zinc/36/47/28/899364728.db2.gz JMSLMSJCHHWFFN-UHFFFAOYSA-N -1 3 391.431 3.542 20 30 GHEDHM O=C(c1ccccc1[O-])N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287503 900457794 /nfs/dbraw/zinc/45/77/94/900457794.db2.gz SKKWPANJUBIKOB-DTORHVGOSA-N -1 3 389.242 3.635 20 30 GHEDHM Cc1ncc(CO)c(/C=N/c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1[O-] ZINC000263663864 902369124 /nfs/dbraw/zinc/36/91/24/902369124.db2.gz KHNKGENDJBPLHE-FOKLQQMPSA-N -1 3 383.448 3.636 20 30 GHEDHM CC(=O)c1cccc(O[C@H](C)C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1 ZINC000845836719 902447042 /nfs/dbraw/zinc/44/70/42/902447042.db2.gz BVHDBDXIRUXCPG-OXQOHEQNSA-N -1 3 375.424 3.666 20 30 GHEDHM CC(=O)c1cccc(O[C@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845836719 902447052 /nfs/dbraw/zinc/44/70/52/902447052.db2.gz BVHDBDXIRUXCPG-OXQOHEQNSA-N -1 3 375.424 3.666 20 30 GHEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000845843661 902460589 /nfs/dbraw/zinc/46/05/89/902460589.db2.gz DNJSVDBHLOQVRS-SUMWQHHRSA-N -1 3 380.375 3.847 20 30 GHEDHM C[C@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000845843661 902460600 /nfs/dbraw/zinc/46/06/00/902460600.db2.gz DNJSVDBHLOQVRS-SUMWQHHRSA-N -1 3 380.375 3.847 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCCCC1 ZINC000577676448 903037479 /nfs/dbraw/zinc/03/74/79/903037479.db2.gz FIEVRDIJBZRUPB-GFCCVEGCSA-N -1 3 391.718 3.853 20 30 GHEDHM Cc1ncc(CO)c(/C=N/c2cccc(C[S@@](=O)C3CCCCC3)c2)c1[O-] ZINC000265342849 903822394 /nfs/dbraw/zinc/82/23/94/903822394.db2.gz ZSCQWAURFRYNPD-FLYHUXJGSA-N -1 3 386.517 3.920 20 30 GHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cnn(-c4cccc(Cl)c4)n3)[nH]c21 ZINC000777328073 906141120 /nfs/dbraw/zinc/14/11/20/906141120.db2.gz QBTWBDJWPWLPFQ-CQSZACIVSA-N -1 3 376.807 3.596 20 30 GHEDHM N#Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1[O-] ZINC001176914526 908319471 /nfs/dbraw/zinc/31/94/71/908319471.db2.gz TWNBRUGVAUEDON-UHFFFAOYSA-N -1 3 390.365 3.533 20 30 GHEDHM CC(=C([O-])NC(=NC#N)c1ccncc1)c1ccc(C(=O)c2cccs2)cc1 ZINC001177695499 908716580 /nfs/dbraw/zinc/71/65/80/908716580.db2.gz KQZYLRBZDSFCIF-CQSZACIVSA-N -1 3 388.452 3.522 20 30 GHEDHM Cc1cccc2[nH]cc(Cc3noc(CCc4c(C)[n-]c(=O)c(C#N)c4C)n3)c21 ZINC000274108190 911225955 /nfs/dbraw/zinc/22/59/55/911225955.db2.gz ZVAALBSLCCOYIW-UHFFFAOYSA-N -1 3 387.443 3.824 20 30 GHEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1F ZINC000774054801 911294478 /nfs/dbraw/zinc/29/44/78/911294478.db2.gz UBHUXQMISGXQGJ-GFCCVEGCSA-N -1 3 391.761 3.538 20 30 GHEDHM CCCc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000774334101 911657318 /nfs/dbraw/zinc/65/73/18/911657318.db2.gz KIVXCPSTBWMZAR-GOSISDBHSA-N -1 3 380.473 3.914 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1ncc(Br)nc1Cl ZINC001187993107 915670464 /nfs/dbraw/zinc/67/04/64/915670464.db2.gz IZDBEPDHDGFRTN-UHFFFAOYSA-N -1 3 384.727 3.995 20 30 GHEDHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)o1)c1cc(C(F)(F)F)ccc1F ZINC001190351059 917280192 /nfs/dbraw/zinc/28/01/92/917280192.db2.gz ZXVLUQMWWADNMX-UHFFFAOYSA-N -1 3 391.264 3.935 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC001190662729 917453201 /nfs/dbraw/zinc/45/32/01/917453201.db2.gz NJHBJVNMMJLOEQ-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1ccc(=O)[n-]c1Cl ZINC001190918025 917662088 /nfs/dbraw/zinc/66/20/88/917662088.db2.gz NTJLICNQCHWURF-UHFFFAOYSA-N -1 3 376.799 3.935 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ncc(Br)cn3)sc2C1 ZINC000901264706 920954091 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C[C@@H](OC(=O)c1ccc(I)c([O-])c1)c1ccc(C#N)cc1 ZINC000784714018 931986460 /nfs/dbraw/zinc/98/64/60/931986460.db2.gz RFQOKGJGQXUHLH-SNVBAGLBSA-N -1 3 393.180 3.786 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000797569021 932330428 /nfs/dbraw/zinc/33/04/28/932330428.db2.gz ZTSFWDYMQXUSKJ-OAHLLOKOSA-N -1 3 382.489 3.839 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Oc3ccccc3)cn2)c1 ZINC000799602350 933059148 /nfs/dbraw/zinc/05/91/48/933059148.db2.gz OKFIRUNUZHIDDT-IBGZPJMESA-N -1 3 387.395 3.844 20 30 GHEDHM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000777833805 933647611 /nfs/dbraw/zinc/64/76/11/933647611.db2.gz JUOGKPHCFMNQMT-LLVKDONJSA-N -1 3 393.336 3.766 20 30 GHEDHM C=CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2ccccc2)C1 ZINC001122079492 934816689 /nfs/dbraw/zinc/81/66/89/934816689.db2.gz NPOWXLNWFZCSGJ-KRWDZBQOSA-N -1 3 390.491 3.590 20 30 GHEDHM N#CC(=C([O-])c1ccc(F)c(Br)c1)c1nc(N)c2ccccc2n1 ZINC001122407101 934863360 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C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001573341298 947529774 /nfs/dbraw/zinc/52/97/74/947529774.db2.gz LAPKQWHCGSXIFB-WSTZPKSXSA-N -1 3 379.508 3.988 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001595795895 982599825 /nfs/dbraw/zinc/59/98/25/982599825.db2.gz DIVLOIHYUMGVHS-KRWDZBQOSA-N -1 3 382.391 3.828 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000468364912 1015630320 /nfs/dbraw/zinc/63/03/20/1015630320.db2.gz PFSIFAVYVVPZTN-ZDUSSCGKSA-N -1 3 385.414 3.632 20 30 GHEDHM C[C@@](NCc1ccc(C#N)c(F)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593293139 994682680 /nfs/dbraw/zinc/68/26/80/994682680.db2.gz SSNBDJSJEZAFAK-KRWDZBQOSA-N -1 3 377.213 3.549 20 30 GHEDHM C=CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140467907 1021762270 /nfs/dbraw/zinc/76/22/70/1021762270.db2.gz ZWOWENKRCKALIK-UHFFFAOYSA-N -1 3 387.911 3.913 20 30 GHEDHM CCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)c(OC)c1 ZINC000835061985 1021834783 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1043655255 /nfs/dbraw/zinc/65/52/55/1043655255.db2.gz ASCBVNPVWQRBDH-UHFFFAOYSA-N -1 3 377.444 3.687 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(F)(F)CC3)cc2)cc1 ZINC001258131587 1044416661 /nfs/dbraw/zinc/41/66/61/1044416661.db2.gz BCQGVBPZBABWLI-UHFFFAOYSA-N -1 3 377.416 3.595 20 30 GHEDHM C=CCS(=O)(=O)[N-]c1ccc(Br)cc1OCc1ccccc1 ZINC001259931691 1045335511 /nfs/dbraw/zinc/33/55/11/1045335511.db2.gz XBWFGLNNEJSFSY-UHFFFAOYSA-N -1 3 382.279 3.956 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C)cc1 ZINC001260462759 1045504003 /nfs/dbraw/zinc/50/40/03/1045504003.db2.gz HLMDBVCMOUNRMI-UHFFFAOYSA-N -1 3 380.263 3.570 20 30 GHEDHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(C#N)c1Br ZINC001260771847 1045652227 /nfs/dbraw/zinc/65/22/27/1045652227.db2.gz HHPBCVSEFPPWAP-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)c1F ZINC001261019381 1045844314 /nfs/dbraw/zinc/84/43/14/1045844314.db2.gz SJKASWXQSCETBU-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001298543769 1045863939 /nfs/dbraw/zinc/86/39/39/1045863939.db2.gz WNHLQOSIGVJABZ-QSOIZUECSA-N -1 3 397.302 3.688 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1coc(C=CC(=O)OC(C)(C)C)c1 ZINC001263616406 1046999493 /nfs/dbraw/zinc/99/94/93/1046999493.db2.gz WAMHQRHNQNQYOK-CFHLNLSMSA-N -1 3 375.812 3.511 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000606932969 1047332987 /nfs/dbraw/zinc/33/29/87/1047332987.db2.gz KSLOQMPYIUESIN-UHFFFAOYSA-N -1 3 395.459 3.811 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001303877418 1047526472 /nfs/dbraw/zinc/52/64/72/1047526472.db2.gz CYSJALFILHROAH-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)c(F)cc1F ZINC001463243060 1070935610 /nfs/dbraw/zinc/93/56/10/1070935610.db2.gz WNAHCNVQVRHVRZ-UHFFFAOYSA-N -1 3 389.345 3.622 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N([O-])Cc1ccc(F)cc1 ZINC001306900215 1048951763 /nfs/dbraw/zinc/95/17/63/1048951763.db2.gz KLSLHNAKKKNCSM-GFCCVEGCSA-N -1 3 397.233 3.903 20 30 GHEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CCCCC1 ZINC001329136842 1050730974 /nfs/dbraw/zinc/73/09/74/1050730974.db2.gz BTDKRLGJCVAEOC-UHFFFAOYSA-N -1 3 381.807 3.506 20 30 GHEDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c2ccccc21 ZINC001309756385 1050956850 /nfs/dbraw/zinc/95/68/50/1050956850.db2.gz HWLFCCOKMADXMO-RDJZCZTQSA-N -1 3 385.445 3.629 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001342522561 1053215577 /nfs/dbraw/zinc/21/55/77/1053215577.db2.gz MCLPGTORCIMGNX-CYBMUJFWSA-N -1 3 382.443 3.662 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001343286173 1053678207 /nfs/dbraw/zinc/67/82/07/1053678207.db2.gz FBUQKMFOBDVALP-CYBMUJFWSA-N -1 3 394.454 3.588 20 30 GHEDHM COCCCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccs1 ZINC001317748240 1054244858 /nfs/dbraw/zinc/24/48/58/1054244858.db2.gz HSOCFDVJBGUPJR-UHFFFAOYSA-N -1 3 389.502 3.509 20 30 GHEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)cc1)c1nc(N)c2ccccc2n1 ZINC001344546158 1054556003 /nfs/dbraw/zinc/55/60/03/1054556003.db2.gz ZXQWYZFSNOOWJH-AWEZNQCLSA-N -1 3 386.333 3.643 20 30 GHEDHM COc1c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)cnn1-c1ccccc1 ZINC001320461478 1055815492 /nfs/dbraw/zinc/81/54/92/1055815492.db2.gz LHHDHNOJRUFNMP-UHFFFAOYSA-N -1 3 397.778 3.566 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000848137899 1056743219 /nfs/dbraw/zinc/74/32/19/1056743219.db2.gz HKNBSFKMAJIFSW-NVXWUHKLSA-N -1 3 390.892 3.670 20 30 GHEDHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)c1c[nH]c(C(F)(F)F)c1 ZINC001324517561 1057153609 /nfs/dbraw/zinc/15/36/09/1057153609.db2.gz BMGXHLMIGAKBTD-LLVKDONJSA-N -1 3 390.280 3.755 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=NCCc2ccccn2)n1N=C1CCCC1 ZINC001338290896 1058498697 /nfs/dbraw/zinc/49/86/97/1058498697.db2.gz VHYKGHUGCVZGEY-UHFFFAOYSA-N -1 3 394.500 3.944 20 30 GHEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001444533965 1059334427 /nfs/dbraw/zinc/33/44/27/1059334427.db2.gz VWHMVWPPXFXLNE-QFBILLFUSA-N -1 3 393.393 3.718 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC001342187399 1061117072 /nfs/dbraw/zinc/11/70/72/1061117072.db2.gz JZIAKJOGGVIQCO-KRWDZBQOSA-N -1 3 381.436 3.565 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001345973260 1061255062 /nfs/dbraw/zinc/25/50/62/1061255062.db2.gz IDIJNHXKWJEZIC-UHFFFAOYSA-N -1 3 394.454 3.633 20 30 GHEDHM N#CCC1CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2CC2CC2)CC1 ZINC001346125788 1061383378 /nfs/dbraw/zinc/38/33/78/1061383378.db2.gz TWOPNMFNSANDGY-UHFFFAOYSA-N -1 3 399.926 3.962 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](CC(=O)N([O-])CCCCc1ccccc1)C(F)F ZINC001458006868 1063503785 /nfs/dbraw/zinc/50/37/85/1063503785.db2.gz BONPMZFJZDKLNN-OAHLLOKOSA-N -1 3 386.439 3.776 20 30 GHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3coc4c3C(=O)NCCC4)c(C#N)c2[C@H]1C ZINC001436548926 1063521426 /nfs/dbraw/zinc/52/14/26/1063521426.db2.gz ZRHFRHJFSWICDF-MNOVXSKESA-N -1 3 383.473 3.827 20 30 GHEDHM C=CCn1c(=O)c2ccc(Cl)cc2nc1Sc1cc(Cl)nc(=O)[n-]1 ZINC001458062387 1063537843 /nfs/dbraw/zinc/53/78/43/1063537843.db2.gz SXCHRNZMDZZOPB-UHFFFAOYSA-N -1 3 381.244 3.536 20 30 GHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3coc4c3C(=O)NCC(C)(C)C4)sc2C1 ZINC001349230697 1063602209 /nfs/dbraw/zinc/60/22/09/1063602209.db2.gz WAVFHDRNJJURHG-NSHDSACASA-N -1 3 397.500 3.902 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)c1ccc(N(C)C)cc1 ZINC001463551313 1064453575 /nfs/dbraw/zinc/45/35/75/1064453575.db2.gz FWRZGTIASMWZSY-ZDUSSCGKSA-N -1 3 385.514 3.878 20 30 GHEDHM C#CCC1([N-]S(=O)(=O)c2cc(C)c(Br)cc2F)CCCCC1 ZINC001464624123 1065118632 /nfs/dbraw/zinc/11/86/32/1065118632.db2.gz UXPSLIVJZKOAMD-UHFFFAOYSA-N -1 3 388.302 3.901 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CSCc3ccc(Br)cc32)c1[O-] ZINC000849171762 1067751486 /nfs/dbraw/zinc/75/14/86/1067751486.db2.gz FSMTVLWIJBFOHE-GEDBDELUSA-N -1 3 393.306 3.757 20 30 GHEDHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1cccc2ccccc21 ZINC001471896333 1073249559 /nfs/dbraw/zinc/24/95/59/1073249559.db2.gz GSWDSLAINQBVQK-LJQANCHMSA-N -1 3 394.377 3.834 20 30 GHEDHM Cn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c2ccccc2c1=O ZINC001472617447 1073578089 /nfs/dbraw/zinc/57/80/89/1073578089.db2.gz GDQLATOZCQUITC-UHFFFAOYSA-N -1 3 377.227 3.877 20 30 GHEDHM Cn1cc(CNCc2cccc([O-])c2Br)c(-c2ccc(C#N)cc2)n1 ZINC001474108958 1074266065 /nfs/dbraw/zinc/26/60/65/1074266065.db2.gz MJRUEWLEIBXZCB-UHFFFAOYSA-N -1 3 397.276 3.717 20 30 GHEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC001475294370 1074825414 /nfs/dbraw/zinc/82/54/14/1074825414.db2.gz KPAUGEBQFADNAW-UHFFFAOYSA-N -1 3 382.707 3.602 20 30 GHEDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)CC#N)c(Br)c1 ZINC001475375335 1074853444 /nfs/dbraw/zinc/85/34/44/1074853444.db2.gz FYXBASLXOICYIJ-UHFFFAOYSA-N -1 3 379.707 3.629 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2ccc(I)s2)CCCC1 ZINC001475498829 1074897132 /nfs/dbraw/zinc/89/71/32/1074897132.db2.gz HKOGEHOLMWPFHY-UHFFFAOYSA-N -1 3 397.303 3.520 20 30 GHEDHM N#Cc1cc(NC(=O)c2sccc2-c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737710207 598919211 /nfs/dbraw/zinc/91/92/11/598919211.db2.gz RYSQHQAMULNEHI-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM N#Cc1cc(NC(=O)c2sccc2-c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737710207 598919214 /nfs/dbraw/zinc/91/92/14/598919214.db2.gz RYSQHQAMULNEHI-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000737731240 598980751 /nfs/dbraw/zinc/98/07/51/598980751.db2.gz ZPWZSQWITURRNO-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000737731240 598980752 /nfs/dbraw/zinc/98/07/52/598980752.db2.gz ZPWZSQWITURRNO-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000735419931 599057941 /nfs/dbraw/zinc/05/79/41/599057941.db2.gz KRBOIPCIOUHDOK-UHFFFAOYSA-N -1 3 388.353 3.504 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000735419931 599057944 /nfs/dbraw/zinc/05/79/44/599057944.db2.gz KRBOIPCIOUHDOK-UHFFFAOYSA-N -1 3 388.353 3.504 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(OC(F)F)c1 ZINC000821786986 599113399 /nfs/dbraw/zinc/11/33/99/599113399.db2.gz MYSHLXINTKOXCT-UKTHLTGXSA-N -1 3 398.369 3.689 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(OC(F)F)c1 ZINC000821786986 599113402 /nfs/dbraw/zinc/11/34/02/599113402.db2.gz MYSHLXINTKOXCT-UKTHLTGXSA-N -1 3 398.369 3.689 20 30 GHEDHM Cc1c(C(=O)C=CC=Cc2ccccc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202933 599157437 /nfs/dbraw/zinc/15/74/37/599157437.db2.gz PYRKFBRHCKYNOD-VTBWALSUSA-N -1 3 382.427 3.813 20 30 GHEDHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735737150 599195366 /nfs/dbraw/zinc/19/53/66/599195366.db2.gz ZOCOXQVQBQXMQC-GOSISDBHSA-N -1 3 392.488 3.635 20 30 GHEDHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735737150 599195368 /nfs/dbraw/zinc/19/53/68/599195368.db2.gz ZOCOXQVQBQXMQC-GOSISDBHSA-N -1 3 392.488 3.635 20 30 GHEDHM Fc1cccc2c1CCC2=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737664675 598314672 /nfs/dbraw/zinc/31/46/72/598314672.db2.gz MUGGVDXXPOJBCE-UHFFFAOYSA-N -1 3 376.317 3.787 20 30 GHEDHM Fc1cccc2c1CCC2=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737664675 598314674 /nfs/dbraw/zinc/31/46/74/598314674.db2.gz MUGGVDXXPOJBCE-UHFFFAOYSA-N -1 3 376.317 3.787 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000735451048 598315338 /nfs/dbraw/zinc/31/53/38/598315338.db2.gz NOGJXCWYCKMIOB-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000735451048 598315340 /nfs/dbraw/zinc/31/53/40/598315340.db2.gz NOGJXCWYCKMIOB-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM CC(C)(C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735572423 598541521 /nfs/dbraw/zinc/54/15/21/598541521.db2.gz WKSXDYHISLMTKY-UHFFFAOYSA-N -1 3 396.838 3.587 20 30 GHEDHM CC(C)(C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000735572423 598541523 /nfs/dbraw/zinc/54/15/23/598541523.db2.gz WKSXDYHISLMTKY-UHFFFAOYSA-N -1 3 396.838 3.587 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735977954 598555057 /nfs/dbraw/zinc/55/50/57/598555057.db2.gz YIWSRDAYXXZRLZ-PLSXKVAHSA-N -1 3 390.472 3.913 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735977954 598555058 /nfs/dbraw/zinc/55/50/58/598555058.db2.gz YIWSRDAYXXZRLZ-PLSXKVAHSA-N -1 3 390.472 3.913 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737730696 598555272 /nfs/dbraw/zinc/55/52/72/598555272.db2.gz PYCZGRHROUKPHX-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737730696 598555273 /nfs/dbraw/zinc/55/52/73/598555273.db2.gz PYCZGRHROUKPHX-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390649 598591569 /nfs/dbraw/zinc/59/15/69/598591569.db2.gz AOUCXLMFAZENOX-UHFFFAOYSA-N -1 3 397.438 3.607 20 30 GHEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390649 598591570 /nfs/dbraw/zinc/59/15/70/598591570.db2.gz AOUCXLMFAZENOX-UHFFFAOYSA-N -1 3 397.438 3.607 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N(C)C[C@H](C)C#N ZINC000737278677 598782328 /nfs/dbraw/zinc/78/23/28/598782328.db2.gz COIXXPPLPIVJGI-CYBMUJFWSA-N -1 3 391.435 3.591 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N(C)C[C@H](C)C#N ZINC000737278677 598782330 /nfs/dbraw/zinc/78/23/30/598782330.db2.gz COIXXPPLPIVJGI-CYBMUJFWSA-N -1 3 391.435 3.591 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000735419781 598782478 /nfs/dbraw/zinc/78/24/78/598782478.db2.gz IRAULYPNJDHOLQ-HKUYNNGSSA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000735419781 598782479 /nfs/dbraw/zinc/78/24/79/598782479.db2.gz IRAULYPNJDHOLQ-HKUYNNGSSA-N -1 3 382.512 3.779 20 30 GHEDHM CC(C)CN(C(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817546 598819490 /nfs/dbraw/zinc/81/94/90/598819490.db2.gz BXLRTGVWIRXQHE-UHFFFAOYSA-N -1 3 399.458 3.648 20 30 GHEDHM CC(C)CN(C(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817546 598819491 /nfs/dbraw/zinc/81/94/91/598819491.db2.gz BXLRTGVWIRXQHE-UHFFFAOYSA-N -1 3 399.458 3.648 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(Cl)sc1Cl ZINC000737804677 599462267 /nfs/dbraw/zinc/46/22/67/599462267.db2.gz DMYIFUKSEIFNRA-NSCUHMNNSA-N -1 3 391.243 3.779 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(Cl)sc1Cl ZINC000737804677 599462269 /nfs/dbraw/zinc/46/22/69/599462269.db2.gz DMYIFUKSEIFNRA-NSCUHMNNSA-N -1 3 391.243 3.779 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000735391972 599566405 /nfs/dbraw/zinc/56/64/05/599566405.db2.gz ZPBQUXRSFWJQSP-UHFFFAOYSA-N -1 3 394.438 3.868 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](c1ccccc1)C(C)C ZINC000819743540 599629940 /nfs/dbraw/zinc/62/99/40/599629940.db2.gz LJXKRQQXIUSDJM-HXUWFJFHSA-N -1 3 375.476 3.821 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](c1ccccc1)C(C)C ZINC000819743540 599629941 /nfs/dbraw/zinc/62/99/41/599629941.db2.gz LJXKRQQXIUSDJM-HXUWFJFHSA-N -1 3 375.476 3.821 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCC1CCCC1 ZINC000819743167 599679773 /nfs/dbraw/zinc/67/97/73/599679773.db2.gz DMECFNWXKHVFQN-UHFFFAOYSA-N -1 3 382.512 3.925 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCC1CCCC1 ZINC000819743167 599679774 /nfs/dbraw/zinc/67/97/74/599679774.db2.gz DMECFNWXKHVFQN-UHFFFAOYSA-N -1 3 382.512 3.925 20 30 GHEDHM C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819733954 607388561 /nfs/dbraw/zinc/38/85/61/607388561.db2.gz FZVCFKBGXXDJBW-DNVCBOLYSA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733954 607388564 /nfs/dbraw/zinc/38/85/64/607388564.db2.gz FZVCFKBGXXDJBW-DNVCBOLYSA-N -1 3 376.464 3.934 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)cc1F ZINC000822923760 607461800 /nfs/dbraw/zinc/46/18/00/607461800.db2.gz UAZSMKZVAUVQNP-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)cc1F ZINC000822923760 607461801 /nfs/dbraw/zinc/46/18/01/607461801.db2.gz UAZSMKZVAUVQNP-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064257 601237011 /nfs/dbraw/zinc/23/70/11/601237011.db2.gz QJEBTOUORHGJET-SUNKGSAMSA-N -1 3 396.415 3.540 20 30 GHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000832825140 601305541 /nfs/dbraw/zinc/30/55/41/601305541.db2.gz MEGKJPUMTJDVBW-QLJPJBMISA-N -1 3 377.213 3.936 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000826250805 607687040 /nfs/dbraw/zinc/68/70/40/607687040.db2.gz SWVHBRMIRKMSEX-LBPRGKRZSA-N -1 3 378.461 3.679 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000826250805 607687042 /nfs/dbraw/zinc/68/70/42/607687042.db2.gz SWVHBRMIRKMSEX-LBPRGKRZSA-N -1 3 378.461 3.679 20 30 GHEDHM C=CCC[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000833373349 605184622 /nfs/dbraw/zinc/18/46/22/605184622.db2.gz MDBVLGGTGSUGRO-QGZVFWFLSA-N -1 3 398.425 3.626 20 30 GHEDHM C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CCCC1 ZINC000819854790 606176894 /nfs/dbraw/zinc/17/68/94/606176894.db2.gz CCXXTOLGVLUXAR-BLLLJJGKSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CCCC1 ZINC000819854790 606176897 /nfs/dbraw/zinc/17/68/97/606176897.db2.gz CCXXTOLGVLUXAR-BLLLJJGKSA-N -1 3 392.488 3.993 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(Cl)ccc(Cl)c21 ZINC000823498320 606306357 /nfs/dbraw/zinc/30/63/57/606306357.db2.gz LCYNPPWSTRSGHK-CLTKARDFSA-N -1 3 379.228 3.894 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(Cl)ccc(Cl)c21 ZINC000823498320 606306359 /nfs/dbraw/zinc/30/63/59/606306359.db2.gz LCYNPPWSTRSGHK-CLTKARDFSA-N -1 3 379.228 3.894 20 30 GHEDHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820495564 606354888 /nfs/dbraw/zinc/35/48/88/606354888.db2.gz IAMFRFHIZCBYIA-HNNXBMFYSA-N -1 3 391.431 3.592 20 30 GHEDHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820495564 606354891 /nfs/dbraw/zinc/35/48/91/606354891.db2.gz IAMFRFHIZCBYIA-HNNXBMFYSA-N -1 3 391.431 3.592 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1cccc(Cl)c1 ZINC000822015797 606392148 /nfs/dbraw/zinc/39/21/48/606392148.db2.gz OTRLVLBBVLNKEA-ALCCZGGFSA-N -1 3 396.863 3.972 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N(C)[C@H](C)CC#N ZINC000822211694 606657293 /nfs/dbraw/zinc/65/72/93/606657293.db2.gz LBHKMJBPSZFQAV-CQSZACIVSA-N -1 3 391.435 3.733 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N(C)[C@H](C)CC#N ZINC000822211694 606657294 /nfs/dbraw/zinc/65/72/94/606657294.db2.gz LBHKMJBPSZFQAV-CQSZACIVSA-N -1 3 391.435 3.733 20 30 GHEDHM Fc1ccc(-c2nn[n-]n2)c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000822758422 607061458 /nfs/dbraw/zinc/06/14/58/607061458.db2.gz OLFHXFKYZJZQIH-UWVGGRQHSA-N -1 3 397.298 3.569 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Br)cc1F ZINC000822924097 607123015 /nfs/dbraw/zinc/12/30/15/607123015.db2.gz XDYTVWGPGHBGAY-DJWKRKHSSA-N -1 3 379.214 3.726 20 30 GHEDHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)(C)C#N ZINC000824723067 607807106 /nfs/dbraw/zinc/80/71/06/607807106.db2.gz MJIQICPKGBEMOL-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(C)(C)C#N ZINC000824723067 607807107 /nfs/dbraw/zinc/80/71/07/607807107.db2.gz MJIQICPKGBEMOL-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826499973 607808536 /nfs/dbraw/zinc/80/85/36/607808536.db2.gz HAXFEUJGAIXCCY-AWEZNQCLSA-N -1 3 377.408 3.586 20 30 GHEDHM O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826499973 607808537 /nfs/dbraw/zinc/80/85/37/607808537.db2.gz HAXFEUJGAIXCCY-AWEZNQCLSA-N -1 3 377.408 3.586 20 30 GHEDHM CC[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825039310 608075489 /nfs/dbraw/zinc/07/54/89/608075489.db2.gz PIFCLYKLPBRQCX-GFCCVEGCSA-N -1 3 383.795 3.771 20 30 GHEDHM CC[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825039310 608075490 /nfs/dbraw/zinc/07/54/90/608075490.db2.gz PIFCLYKLPBRQCX-GFCCVEGCSA-N -1 3 383.795 3.771 20 30 GHEDHM N#Cc1ccc(SCCOCCSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826386305 608111215 /nfs/dbraw/zinc/11/12/15/608111215.db2.gz YKYBVSQFNIMLTH-UHFFFAOYSA-N -1 3 383.502 3.639 20 30 GHEDHM N#Cc1ccc(SCCOCCSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826386305 608111216 /nfs/dbraw/zinc/11/12/16/608111216.db2.gz YKYBVSQFNIMLTH-UHFFFAOYSA-N -1 3 383.502 3.639 20 30 GHEDHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)Cc1ccc(Cl)cc1 ZINC000824384640 608259538 /nfs/dbraw/zinc/25/95/38/608259538.db2.gz FPXPNYZAESHHEY-LBPRGKRZSA-N -1 3 380.839 3.599 20 30 GHEDHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)Cc1ccc(Cl)cc1 ZINC000824384640 608259539 /nfs/dbraw/zinc/25/95/39/608259539.db2.gz FPXPNYZAESHHEY-LBPRGKRZSA-N -1 3 380.839 3.599 20 30 GHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826395695 608288863 /nfs/dbraw/zinc/28/88/63/608288863.db2.gz PHCSPKVTOOJUEB-ONEGZZNKSA-N -1 3 378.194 3.791 20 30 GHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826395695 608288864 /nfs/dbraw/zinc/28/88/64/608288864.db2.gz PHCSPKVTOOJUEB-ONEGZZNKSA-N -1 3 378.194 3.791 20 30 GHEDHM CCC(CSc1ccccc1[N+](=O)[O-])N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825126466 608317380 /nfs/dbraw/zinc/31/73/80/608317380.db2.gz IGIDFUISXWJFJY-UHFFFAOYSA-N -1 3 383.437 3.745 20 30 GHEDHM CCC(CSc1ccccc1[N+](=O)[O-])N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825126466 608317382 /nfs/dbraw/zinc/31/73/82/608317382.db2.gz IGIDFUISXWJFJY-UHFFFAOYSA-N -1 3 383.437 3.745 20 30 GHEDHM Fc1c(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000826370287 608388960 /nfs/dbraw/zinc/38/89/60/608388960.db2.gz LWCPJQJCUDZYAE-AOOOYVTPSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1c(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000826370287 608388962 /nfs/dbraw/zinc/38/89/62/608388962.db2.gz LWCPJQJCUDZYAE-AOOOYVTPSA-N -1 3 397.298 3.569 20 30 GHEDHM C=C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000823882630 608479356 /nfs/dbraw/zinc/47/93/56/608479356.db2.gz AQOZOTBZSRDOSX-KRWDZBQOSA-N -1 3 385.471 3.842 20 30 GHEDHM C=C[C@@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000823882630 608479358 /nfs/dbraw/zinc/47/93/58/608479358.db2.gz AQOZOTBZSRDOSX-KRWDZBQOSA-N -1 3 385.471 3.842 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(OC(F)(F)F)cc1 ZINC000823958562 608535629 /nfs/dbraw/zinc/53/56/29/608535629.db2.gz QREWNBPPMXWLRJ-UHFFFAOYSA-N -1 3 397.748 3.650 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(OC(F)(F)F)cc1 ZINC000823958562 608535630 /nfs/dbraw/zinc/53/56/30/608535630.db2.gz QREWNBPPMXWLRJ-UHFFFAOYSA-N -1 3 397.748 3.650 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475448 608878237 /nfs/dbraw/zinc/87/82/37/608878237.db2.gz GJLRHBJEPIAWKJ-SFGFDRCGSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475448 608878238 /nfs/dbraw/zinc/87/82/38/608878238.db2.gz GJLRHBJEPIAWKJ-SFGFDRCGSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C(C=Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403114 609271118 /nfs/dbraw/zinc/27/11/18/609271118.db2.gz KBXVUHQHGGBDLR-QPIMQUGISA-N -1 3 394.797 3.741 20 30 GHEDHM O=C(C=Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403114 609271119 /nfs/dbraw/zinc/27/11/19/609271119.db2.gz KBXVUHQHGGBDLR-QPIMQUGISA-N -1 3 394.797 3.741 20 30 GHEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826381674 609272422 /nfs/dbraw/zinc/27/24/22/609272422.db2.gz UPIYOWGSVOOZQC-TWGQIWQCSA-N -1 3 377.379 3.584 20 30 GHEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826381674 609272423 /nfs/dbraw/zinc/27/24/23/609272423.db2.gz UPIYOWGSVOOZQC-TWGQIWQCSA-N -1 3 377.379 3.584 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1OC(C)C ZINC000826215733 609274017 /nfs/dbraw/zinc/27/40/17/609274017.db2.gz XMUMOXNJWDDJEB-NTMALXAHSA-N -1 3 382.395 3.698 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1OC(C)C ZINC000826215733 609274019 /nfs/dbraw/zinc/27/40/19/609274019.db2.gz XMUMOXNJWDDJEB-NTMALXAHSA-N -1 3 382.395 3.698 20 30 GHEDHM N#CCc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382855 609308437 /nfs/dbraw/zinc/30/84/37/609308437.db2.gz XXMYBHLXYKFXLJ-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382855 609308438 /nfs/dbraw/zinc/30/84/38/609308438.db2.gz XXMYBHLXYKFXLJ-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305079 609309512 /nfs/dbraw/zinc/30/95/12/609309512.db2.gz JRYXIQZJCLQPCI-YRIIZNAFSA-N -1 3 396.454 3.959 20 30 GHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305079 609309513 /nfs/dbraw/zinc/30/95/13/609309513.db2.gz JRYXIQZJCLQPCI-YRIIZNAFSA-N -1 3 396.454 3.959 20 30 GHEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC001211624785 835057508 /nfs/dbraw/zinc/05/75/08/835057508.db2.gz JIFSHQPNCQNBEB-UHFFFAOYSA-N -1 3 376.425 3.948 20 30 GHEDHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC000500786737 844014132 /nfs/dbraw/zinc/01/41/32/844014132.db2.gz LDQBFISWFPBKRQ-UHFFFAOYSA-N -1 3 384.288 3.727 20 30 GHEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431627344 835772626 /nfs/dbraw/zinc/77/26/26/835772626.db2.gz FOLGDHJCOGIHCL-CQSZACIVSA-N -1 3 390.333 3.862 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000165005914 835813887 /nfs/dbraw/zinc/81/38/87/835813887.db2.gz ITHWSPXRQNOKGR-QFIPXVFZSA-N -1 3 395.478 3.983 20 30 GHEDHM Cc1c(F)c(Br)ccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000659050002 837379652 /nfs/dbraw/zinc/37/96/52/837379652.db2.gz FFTMFBICBBZZLS-LBPRGKRZSA-N -1 3 391.244 3.705 20 30 GHEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(OC)c1Cl ZINC000458216977 844469215 /nfs/dbraw/zinc/46/92/15/844469215.db2.gz HMMVYTLZIWAFMK-UHFFFAOYSA-N -1 3 389.839 3.518 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000178133559 842192630 /nfs/dbraw/zinc/19/26/30/842192630.db2.gz JFBNOGVLKBNCCH-FQEVSTJZSA-N -1 3 383.467 3.839 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1 ZINC000600380281 861812556 /nfs/dbraw/zinc/81/25/56/861812556.db2.gz SZTXWHJWEZJHFA-IYARVYRRSA-N -1 3 387.524 3.698 20 30 GHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000582907465 848678408 /nfs/dbraw/zinc/67/84/08/848678408.db2.gz HWTOQYUPXFBIBN-UHFFFAOYSA-N -1 3 386.399 3.573 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)N=Nc3cc(C)ncn3)cc2)cc1 ZINC000731935156 861976029 /nfs/dbraw/zinc/97/60/29/861976029.db2.gz UNYQNQVPMMUJGO-UHFFFAOYSA-N -1 3 395.488 3.730 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486826909 850147569 /nfs/dbraw/zinc/14/75/69/850147569.db2.gz PUFLHBJLKXFPRO-SSDOTTSWSA-N -1 3 395.815 3.726 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000486844818 850154888 /nfs/dbraw/zinc/15/48/88/850154888.db2.gz UVVXCDBIZKAOET-SSDOTTSWSA-N -1 3 395.815 3.726 20 30 GHEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000514699413 850186540 /nfs/dbraw/zinc/18/65/40/850186540.db2.gz WNWPMMOYFIJDEN-QMTHXVAHSA-N -1 3 391.718 3.853 20 30 GHEDHM C=CCCC[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908748309 850319639 /nfs/dbraw/zinc/31/96/39/850319639.db2.gz DANBYJPANQTFLO-IAGOWNOFSA-N -1 3 393.553 3.630 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000439822808 850435609 /nfs/dbraw/zinc/43/56/09/850435609.db2.gz AVUFOGVBNDCBEK-QGZVFWFLSA-N -1 3 383.414 3.836 20 30 GHEDHM C=CCn1cccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000488817095 851795133 /nfs/dbraw/zinc/79/51/33/851795133.db2.gz DNBHYFYONNVJHS-UHFFFAOYSA-N -1 3 387.867 3.524 20 30 GHEDHM C=CCC[C@H](C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436795471 852353959 /nfs/dbraw/zinc/35/39/59/852353959.db2.gz RECLKCISLSZNRB-FQEVSTJZSA-N -1 3 392.499 3.863 20 30 GHEDHM CCc1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436994511 852585877 /nfs/dbraw/zinc/58/58/77/852585877.db2.gz DGUUJGOZXIWRAZ-LJQANCHMSA-N -1 3 383.879 3.631 20 30 GHEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000490033297 852716390 /nfs/dbraw/zinc/71/63/90/852716390.db2.gz SEMWQMNDYAWGKC-UHFFFAOYSA-N -1 3 399.353 3.543 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(-c4c(F)cccc4F)n3)nc21 ZINC000429605421 852906326 /nfs/dbraw/zinc/90/63/26/852906326.db2.gz QRRXAJMJMUOBHI-LBPRGKRZSA-N -1 3 377.354 3.825 20 30 GHEDHM COc1ccc([C@@H]2CCCCC2=N[N-]S(=O)(=O)Cc2ccccc2)cc1F ZINC000732713074 862440795 /nfs/dbraw/zinc/44/07/95/862440795.db2.gz WOCGYJGFIPICBX-KRWDZBQOSA-N -1 3 390.480 3.968 20 30 GHEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 ZINC000517371787 853721296 /nfs/dbraw/zinc/72/12/96/853721296.db2.gz GUBXFRZNIGKTAS-IBGZPJMESA-N -1 3 390.436 3.656 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000129629107 854171359 /nfs/dbraw/zinc/17/13/59/854171359.db2.gz XJBKNLNNQQCHCL-LBPRGKRZSA-N -1 3 378.171 3.863 20 30 GHEDHM Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CCC(=O)N1C1CC1 ZINC000328947657 854613527 /nfs/dbraw/zinc/61/35/27/854613527.db2.gz KGHNPPQEPNFFSE-UGSOOPFHSA-N -1 3 388.855 3.509 20 30 GHEDHM N#Cc1cccc(C#N)c1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000302818055 855942466 /nfs/dbraw/zinc/94/24/66/855942466.db2.gz CGFXQTNBTKBVPV-UHFFFAOYSA-N -1 3 380.835 3.644 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2c(F)cccc2Cl)no1 ZINC000273762941 856028229 /nfs/dbraw/zinc/02/82/29/856028229.db2.gz QXEGPYRWGUQGTM-UHFFFAOYSA-N -1 3 386.814 3.827 20 30 GHEDHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172591167 856490549 /nfs/dbraw/zinc/49/05/49/856490549.db2.gz UQVJMEBBYZKCDB-UHFFFAOYSA-N -1 3 387.530 3.529 20 30 GHEDHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cccc21 ZINC000593213779 857403524 /nfs/dbraw/zinc/40/35/24/857403524.db2.gz WUASHUYVEQMBPC-LJQANCHMSA-N -1 3 399.516 3.674 20 30 GHEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000129784959 857569831 /nfs/dbraw/zinc/56/98/31/857569831.db2.gz XNLFEJFOKBGMEI-GFCCVEGCSA-N -1 3 379.247 3.906 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1OC(F)(F)F ZINC000442249287 857653845 /nfs/dbraw/zinc/65/38/45/857653845.db2.gz JBSJUZVJNRPXED-UHFFFAOYSA-N -1 3 398.362 3.583 20 30 GHEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000442234543 857660155 /nfs/dbraw/zinc/66/01/55/857660155.db2.gz GHTDBYMRCOZZPC-UHFFFAOYSA-N -1 3 386.351 3.656 20 30 GHEDHM C=CCCC1(C[N-]S(=O)(=O)c2cc(C(=O)OCC)ccc2F)CCCC1 ZINC001212482212 857800620 /nfs/dbraw/zinc/80/06/20/857800620.db2.gz AIOSACOGBAXSOY-UHFFFAOYSA-N -1 3 383.485 3.807 20 30 GHEDHM N#CC1(c2ccc(CN[C@H](C(=O)[O-])c3cccc(Br)c3)cc2)CC1 ZINC000594691878 858255514 /nfs/dbraw/zinc/25/55/14/858255514.db2.gz YTYXISJLXQXYNC-KRWDZBQOSA-N -1 3 385.261 3.920 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ncc(-c2ccccc2)o1 ZINC000151578333 858302768 /nfs/dbraw/zinc/30/27/68/858302768.db2.gz LYQSTDJOYJUHNV-GFCCVEGCSA-N -1 3 387.848 3.906 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OC1CCCC1 ZINC000046666500 858317801 /nfs/dbraw/zinc/31/78/01/858317801.db2.gz QNCGCMPWQXOOBV-UHFFFAOYSA-N -1 3 379.460 3.756 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCc2ccccc2Cl)no1 ZINC000596614755 858969853 /nfs/dbraw/zinc/96/98/53/858969853.db2.gz WWTBPBXDAYTGKU-UHFFFAOYSA-N -1 3 382.851 3.883 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2cnc(-c3ccncc3)s2)c(Cl)c([N+](=O)[O-])c1 ZINC000764315449 859377509 /nfs/dbraw/zinc/37/75/09/859377509.db2.gz OUSONPAZCCMRRU-UHFFFAOYSA-N -1 3 385.792 3.891 20 30 GHEDHM CCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000069899596 859717967 /nfs/dbraw/zinc/71/79/67/859717967.db2.gz MKEGXKUTVGGOMI-UHFFFAOYSA-N -1 3 391.471 3.763 20 30 GHEDHM C=CCN1C(=O)c2ccc(C(=O)[N-]c3c(F)cccc3SCC)cc2C1=O ZINC000484937096 860518634 /nfs/dbraw/zinc/51/86/34/860518634.db2.gz MHNOSZVXILLEBQ-UHFFFAOYSA-N -1 3 384.432 3.972 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)c2)cc1 ZINC000609199599 881693469 /nfs/dbraw/zinc/69/34/69/881693469.db2.gz QNTOLTJRQDMMCG-UHFFFAOYSA-N -1 3 398.378 3.878 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000475064414 863780082 /nfs/dbraw/zinc/78/00/82/863780082.db2.gz DTIJYTWKMVXNNM-CYBMUJFWSA-N -1 3 381.407 3.971 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1nc2ccccc2s1 ZINC000072007637 864326110 /nfs/dbraw/zinc/32/61/10/864326110.db2.gz PBWRBZLTNFIZHB-UHFFFAOYSA-N -1 3 395.484 3.582 20 30 GHEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000735581041 864862666 /nfs/dbraw/zinc/86/26/66/864862666.db2.gz NBCOZOIBTBULIW-UHFFFAOYSA-N -1 3 382.427 3.808 20 30 GHEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000735581041 864862677 /nfs/dbraw/zinc/86/26/77/864862677.db2.gz NBCOZOIBTBULIW-UHFFFAOYSA-N -1 3 382.427 3.808 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)cc1 ZINC000793124696 881931500 /nfs/dbraw/zinc/93/15/00/881931500.db2.gz MRHDTSFNVPZWDY-KDOFPFPSSA-N -1 3 392.459 3.740 20 30 GHEDHM Cc1nn(-c2ccc(Br)cc2)cc1C([O-])=C(C#N)c1ccccn1 ZINC000153261964 866306909 /nfs/dbraw/zinc/30/69/09/866306909.db2.gz BBWNDBTXUPNRHV-OAHLLOKOSA-N -1 3 381.233 3.828 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742475958 867316207 /nfs/dbraw/zinc/31/62/07/867316207.db2.gz QHFDVUSNKBXOJY-UHFFFAOYSA-N -1 3 392.503 3.515 20 30 GHEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccco1 ZINC000152716056 868354165 /nfs/dbraw/zinc/35/41/65/868354165.db2.gz IOOLNEZEIRLXNP-HXUWFJFHSA-N -1 3 382.441 3.536 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000445992170 869259660 /nfs/dbraw/zinc/25/96/60/869259660.db2.gz JNHVXVMQRNZIMD-CQSZACIVSA-N -1 3 375.306 3.728 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccc3ccccc3n2)no1 ZINC000612894168 882330195 /nfs/dbraw/zinc/33/01/95/882330195.db2.gz VPSWQYCOQHNTHL-UHFFFAOYSA-N -1 3 385.427 3.583 20 30 GHEDHM C[C@](C#N)(NC(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CC1 ZINC000746079061 869997153 /nfs/dbraw/zinc/99/71/53/869997153.db2.gz LILNCTRJJOASRF-OAQYLSRUSA-N -1 3 398.846 3.678 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)[C@@H](C#N)c3nccc4ccccc43)cc2)cc(=O)[n-]1 ZINC000461804109 871030556 /nfs/dbraw/zinc/03/05/56/871030556.db2.gz UOAHSCWESUMCMW-IBGZPJMESA-N -1 3 395.422 3.952 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C)cc(F)cc2Br)c1 ZINC001193636317 871202786 /nfs/dbraw/zinc/20/27/86/871202786.db2.gz PKVIPBLCXCONLG-UHFFFAOYSA-N -1 3 399.241 3.578 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2Cl)c1 ZINC001193679497 871230580 /nfs/dbraw/zinc/23/05/80/871230580.db2.gz DULQSIMQEDOKLI-UHFFFAOYSA-N -1 3 387.244 3.683 20 30 GHEDHM CCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)c(Br)c1 ZINC001193689101 871237514 /nfs/dbraw/zinc/23/75/14/871237514.db2.gz HIBGOEVRCPNRBT-UHFFFAOYSA-N -1 3 395.278 3.693 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc([O-])c3ccccc3c2)C1=O ZINC000793986392 882521254 /nfs/dbraw/zinc/52/12/54/882521254.db2.gz MIBNQNAZZBRZDU-QFIPXVFZSA-N -1 3 397.475 3.861 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc3[nH]ccc3s2)C1=O ZINC000793986697 882521300 /nfs/dbraw/zinc/52/13/00/882521300.db2.gz OSUYZNDJEXWZAZ-GOSISDBHSA-N -1 3 376.482 3.545 20 30 GHEDHM C=CCOC(=O)N1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001194311539 871614923 /nfs/dbraw/zinc/61/49/23/871614923.db2.gz QNFXBJGUMBOWDV-MRXNPFEDSA-N -1 3 389.835 3.769 20 30 GHEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc2cc(C(F)(F)F)ccc2nc1Cl ZINC001169962172 872055714 /nfs/dbraw/zinc/05/57/14/872055714.db2.gz JRHGTMQJYOQTGO-UHFFFAOYSA-N -1 3 396.716 3.728 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(F)c1 ZINC000619547542 872726409 /nfs/dbraw/zinc/72/64/09/872726409.db2.gz YLGNDJPAFBMWSF-UHFFFAOYSA-N -1 3 377.199 3.622 20 30 GHEDHM N#Cc1ccc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)c(F)c1 ZINC000527162995 872747735 /nfs/dbraw/zinc/74/77/35/872747735.db2.gz TUANZJSUCIDBDA-UHFFFAOYSA-N -1 3 375.403 3.519 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccccc2)CCCCC1 ZINC000070956786 873203543 /nfs/dbraw/zinc/20/35/43/873203543.db2.gz PMQIIYNZGRNNKR-UHFFFAOYSA-N -1 3 377.488 3.772 20 30 GHEDHM CC(C)(C#N)CCCCOC(=O)c1ccc(I)c([O-])c1 ZINC000768855713 873596159 /nfs/dbraw/zinc/59/61/59/873596159.db2.gz OGTGDDQPVVXXEB-UHFFFAOYSA-N -1 3 387.217 3.874 20 30 GHEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(-c2ccc(C#N)cc2)o1 ZINC001197396170 873766036 /nfs/dbraw/zinc/76/60/36/873766036.db2.gz WCVLTPNQABFCNV-UHFFFAOYSA-N -1 3 380.331 3.702 20 30 GHEDHM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464418448 873808104 /nfs/dbraw/zinc/80/81/04/873808104.db2.gz BQSQPTSZTANDKY-OAHLLOKOSA-N -1 3 375.350 3.682 20 30 GHEDHM C=CCN(C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])C(C)C ZINC000769763617 874264412 /nfs/dbraw/zinc/26/44/12/874264412.db2.gz ZABQRKQPAWHCHC-UHFFFAOYSA-N -1 3 398.459 3.698 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000775934688 874794443 /nfs/dbraw/zinc/79/44/43/874794443.db2.gz CELOZUDZGBWPHA-SECBINFHSA-N -1 3 390.848 3.651 20 30 GHEDHM CCCC[C@H](CC)COCc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC001199217121 874856326 /nfs/dbraw/zinc/85/63/26/874856326.db2.gz LLOUMMQEHHJIJK-QFBILLFUSA-N -1 3 391.512 3.921 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1C#N ZINC001201287432 875591849 /nfs/dbraw/zinc/59/18/49/875591849.db2.gz KAKMZKJBAMNABM-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC000443961943 877038382 /nfs/dbraw/zinc/03/83/82/877038382.db2.gz IIVNHMYLHBFUMS-AWEZNQCLSA-N -1 3 392.761 3.933 20 30 GHEDHM CC(=O)c1ccc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)sc2c1 ZINC000788498843 878106874 /nfs/dbraw/zinc/10/68/74/878106874.db2.gz NUISSNOIFUASQY-UHFFFAOYSA-N -1 3 394.456 3.659 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000531194171 879291413 /nfs/dbraw/zinc/29/14/13/879291413.db2.gz IUPDNPNJXJHJNN-UHFFFAOYSA-N -1 3 378.413 3.804 20 30 GHEDHM N#Cc1csc(C(=O)[N-]c2c(F)cc(I)cc2F)c1 ZINC001129854750 883258551 /nfs/dbraw/zinc/25/85/51/883258551.db2.gz QPUCSTPOSVMAAF-UHFFFAOYSA-N -1 3 390.152 3.755 20 30 GHEDHM C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000116863564 883950082 /nfs/dbraw/zinc/95/00/82/883950082.db2.gz YSFRCHQWWNUSCF-NSHDSACASA-N -1 3 393.336 3.622 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCCC)C2CCCCC2)ccc1F ZINC000914514195 883976191 /nfs/dbraw/zinc/97/61/91/883976191.db2.gz SNCMOQNUASXVRZ-UHFFFAOYSA-N -1 3 396.528 3.865 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000476316646 884413587 /nfs/dbraw/zinc/41/35/87/884413587.db2.gz YCLSYWKCMLHWBP-NWDGAFQWSA-N -1 3 380.819 3.859 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(F)c([O-])c1)c1ccc(C#N)cc1 ZINC001184085019 912992039 /nfs/dbraw/zinc/99/20/39/912992039.db2.gz YOANSCONUBIABW-QGZVFWFLSA-N -1 3 399.422 3.998 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1 ZINC000119604700 887343842 /nfs/dbraw/zinc/34/38/42/887343842.db2.gz OMDIHEGKWLIVMU-GOSISDBHSA-N -1 3 397.500 3.688 20 30 GHEDHM C=CCN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C(C)C ZINC000863943208 887475147 /nfs/dbraw/zinc/47/51/47/887475147.db2.gz RZCSQBKRFIENRH-UHFFFAOYSA-N -1 3 383.673 3.981 20 30 GHEDHM COc1cccc(-c2n[nH]cc2C=CC(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000763107818 887668883 /nfs/dbraw/zinc/66/88/83/887668883.db2.gz XSKLOWQAMZWOSF-FPLPWBNLSA-N -1 3 380.400 3.704 20 30 GHEDHM CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000916246009 888867896 /nfs/dbraw/zinc/86/78/96/888867896.db2.gz TVXVJAGUIQWFIY-UHFFFAOYSA-N -1 3 380.744 3.707 20 30 GHEDHM COC(=O)c1ccc(Cl)c(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000794941474 889002634 /nfs/dbraw/zinc/00/26/34/889002634.db2.gz OZPTUPCJEWWPBQ-ALCCZGGFSA-N -1 3 376.792 3.746 20 30 GHEDHM CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000154198921 890244610 /nfs/dbraw/zinc/24/46/10/890244610.db2.gz RMZCPEKYLWSNJJ-QGZVFWFLSA-N -1 3 390.436 3.722 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916882769 890326556 /nfs/dbraw/zinc/32/65/56/890326556.db2.gz CHAIICNUQDFOOU-AWEZNQCLSA-N -1 3 383.747 3.956 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)oc1C ZINC000916930318 890422642 /nfs/dbraw/zinc/42/26/42/890422642.db2.gz WSYVHEBPVGFSGW-HNNXBMFYSA-N -1 3 375.384 3.620 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CSc2ccccc2)cc1 ZINC000916942907 890580415 /nfs/dbraw/zinc/58/04/15/890580415.db2.gz PFCZAMJCSVPNTG-SQVRQVGWSA-N -1 3 394.452 3.817 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871372352 890794565 /nfs/dbraw/zinc/79/45/65/890794565.db2.gz BKTBRFRJPOXKFY-JOCHJYFZSA-N -1 3 381.451 3.696 20 30 GHEDHM C=C(C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccccc1 ZINC001212069910 891517570 /nfs/dbraw/zinc/51/75/70/891517570.db2.gz SKBLDXLAWHUQQL-UHFFFAOYSA-N -1 3 375.343 3.716 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cccc2c1OCO2 ZINC000917424060 891980730 /nfs/dbraw/zinc/98/07/30/891980730.db2.gz AKJCNCOCKBNHRJ-ZDUSSCGKSA-N -1 3 390.367 3.691 20 30 GHEDHM CC(=NNc1cccc2c1CCCC2)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000917552708 892196004 /nfs/dbraw/zinc/19/60/04/892196004.db2.gz MLXVXTWENCDVDQ-UHFFFAOYSA-N -1 3 379.504 3.939 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000814054047 892221701 /nfs/dbraw/zinc/22/17/01/892221701.db2.gz YHZJQVOHZOVMPZ-FXAWDEMLSA-N -1 3 380.444 3.672 20 30 GHEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1N1CCCC1 ZINC000874945744 892384724 /nfs/dbraw/zinc/38/47/24/892384724.db2.gz IXXINXQCERSDLX-UHFFFAOYSA-N -1 3 378.476 3.756 20 30 GHEDHM CC(C)c1cnc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000814741864 893136696 /nfs/dbraw/zinc/13/66/96/893136696.db2.gz SAADRFIUZQLQLH-CYBMUJFWSA-N -1 3 387.490 3.541 20 30 GHEDHM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc3ccccc3c2[O-])C1=O ZINC000814775980 893164796 /nfs/dbraw/zinc/16/47/96/893164796.db2.gz FJSHOOFOHQKUDY-HSZRJFAPSA-N -1 3 387.439 3.823 20 30 GHEDHM CC[C@H](C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000778297352 894150214 /nfs/dbraw/zinc/15/02/14/894150214.db2.gz HUPKHLIJXWBEQD-SMDDNHRTSA-N -1 3 388.855 3.786 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)OCC)cn2)cc1 ZINC000815907930 894283992 /nfs/dbraw/zinc/28/39/92/894283992.db2.gz OJDSDNWVAJXBNX-SFHVURJKSA-N -1 3 393.443 3.562 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000815909272 894285362 /nfs/dbraw/zinc/28/53/62/894285362.db2.gz WCOUUTICLRAXAO-LBPRGKRZSA-N -1 3 392.333 3.787 20 30 GHEDHM COc1cc(/C=C\C(=O)c2cccc([O-])c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000778518846 896140522 /nfs/dbraw/zinc/14/05/22/896140522.db2.gz ROALKFPQERLZMS-WAYWQWQTSA-N -1 3 379.315 3.849 20 30 GHEDHM O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)N[C@@H]1CCCN([O-])C1=O ZINC000820482876 897353844 /nfs/dbraw/zinc/35/38/44/897353844.db2.gz STZGZGYOIBQQOT-WKTRQSJXSA-N -1 3 376.865 3.578 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)cc1 ZINC000131235843 897375671 /nfs/dbraw/zinc/37/56/71/897375671.db2.gz RYCCWIZWIOWWMN-KXBFYZLASA-N -1 3 387.443 3.742 20 30 GHEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C2CCCCC2)n1 ZINC000826359899 898097915 /nfs/dbraw/zinc/09/79/15/898097915.db2.gz SGTSSKSRQOXMCV-FOWTUZBSSA-N -1 3 388.475 3.860 20 30 GHEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C2CCCCC2)n1 ZINC000826359899 898097932 /nfs/dbraw/zinc/09/79/32/898097932.db2.gz SGTSSKSRQOXMCV-FOWTUZBSSA-N -1 3 388.475 3.860 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2ccc(OC(F)(F)F)cc21 ZINC000823503070 899068989 /nfs/dbraw/zinc/06/89/89/899068989.db2.gz AUDOERBSRLRGDH-WTKPLQERSA-N -1 3 378.335 3.649 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2ccc(OC(F)(F)F)cc21 ZINC000823503070 899069004 /nfs/dbraw/zinc/06/90/04/899069004.db2.gz AUDOERBSRLRGDH-WTKPLQERSA-N -1 3 378.335 3.649 20 30 GHEDHM CC(C)(C#N)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824058848 899364987 /nfs/dbraw/zinc/36/49/87/899364987.db2.gz FOMDKVJNASGZOL-UHFFFAOYSA-N -1 3 383.795 3.771 20 30 GHEDHM CC(C)(C#N)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824058848 899364999 /nfs/dbraw/zinc/36/49/99/899364999.db2.gz FOMDKVJNASGZOL-UHFFFAOYSA-N -1 3 383.795 3.771 20 30 GHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400364 899703415 /nfs/dbraw/zinc/70/34/15/899703415.db2.gz XDFJRQVZWFSDES-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400364 899703419 /nfs/dbraw/zinc/70/34/19/899703419.db2.gz XDFJRQVZWFSDES-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399700 899717551 /nfs/dbraw/zinc/71/75/51/899717551.db2.gz CPOFTQAHYFBJPC-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399700 899717554 /nfs/dbraw/zinc/71/75/54/899717554.db2.gz CPOFTQAHYFBJPC-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400491 899771246 /nfs/dbraw/zinc/77/12/46/899771246.db2.gz ADFCVVDANZGWQE-QPJJXVBHSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400491 899771255 /nfs/dbraw/zinc/77/12/55/899771255.db2.gz ADFCVVDANZGWQE-QPJJXVBHSA-N -1 3 392.312 3.843 20 30 GHEDHM C#CC1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)CC1 ZINC000844049605 900472753 /nfs/dbraw/zinc/47/27/53/900472753.db2.gz OOAYWWYJLYLLAX-UHFFFAOYSA-N -1 3 396.512 3.590 20 30 GHEDHM O=C(/C=C\c1ccc([O-])cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000844549421 901007517 /nfs/dbraw/zinc/00/75/17/901007517.db2.gz ORPWBGAVAMZTOI-XFFZJAGNSA-N -1 3 389.448 3.602 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000047385816 901960891 /nfs/dbraw/zinc/96/08/91/901960891.db2.gz MAAHMVJRHBPCAK-HXUWFJFHSA-N -1 3 383.467 3.839 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)cc1 ZINC000158724893 902041759 /nfs/dbraw/zinc/04/17/59/902041759.db2.gz JPZTWWRSDPERQM-GOSISDBHSA-N -1 3 381.480 3.628 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000845441723 902154568 /nfs/dbraw/zinc/15/45/68/902154568.db2.gz ICBZQQVEBLWILT-CYBMUJFWSA-N -1 3 399.834 3.651 20 30 GHEDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@]1(F)Cl ZINC000845984744 902565417 /nfs/dbraw/zinc/56/54/17/902565417.db2.gz YRTXSKYNFLOUIJ-OLZOCXBDSA-N -1 3 384.782 3.560 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(-n3cccc3)cc2)c(C)c1[O-] ZINC001148693933 904156082 /nfs/dbraw/zinc/15/60/82/904156082.db2.gz NAZHEPKELFMADA-UHFFFAOYSA-N -1 3 389.411 3.792 20 30 GHEDHM CC(=O)c1cc(C(=O)N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)ccc1[O-] ZINC001148663169 904162301 /nfs/dbraw/zinc/16/23/01/904162301.db2.gz WMVSKQWKFBXVOV-UHFFFAOYSA-N -1 3 398.846 3.803 20 30 GHEDHM CCc1nc(COc2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)no1 ZINC000190888410 906392856 /nfs/dbraw/zinc/39/28/56/906392856.db2.gz MKOQRHCIPDHIDJ-INIZCTEOSA-N -1 3 399.410 3.644 20 30 GHEDHM Cc1[nH]c2c(cc(C)cc2CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000299268168 921274417 /nfs/dbraw/zinc/27/44/17/921274417.db2.gz ZBZGWCMWRMQDSO-UHFFFAOYSA-N -1 3 390.487 3.931 20 30 GHEDHM CO[C@H](c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)c1cccc(Cl)c1 ZINC000274214245 911264881 /nfs/dbraw/zinc/26/48/81/911264881.db2.gz SWCWGGJSDIUBQR-SFHVURJKSA-N -1 3 398.850 3.833 20 30 GHEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1F ZINC000774054811 911294990 /nfs/dbraw/zinc/29/49/90/911294990.db2.gz UBHUXQMISGXQGJ-LBPRGKRZSA-N -1 3 391.761 3.538 20 30 GHEDHM CC#CCCCCCCCC(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001182769849 912037851 /nfs/dbraw/zinc/03/78/51/912037851.db2.gz XWRGQAOLWUQAES-KRWDZBQOSA-N -1 3 378.513 3.783 20 30 GHEDHM CCS(=O)(=O)c1ccc(C(=O)[N-]c2ccsc2C#N)c(Cl)c1Cl ZINC001187873234 915599020 /nfs/dbraw/zinc/59/90/20/915599020.db2.gz LUOJQMWTMHFGPV-UHFFFAOYSA-N -1 3 389.285 3.972 20 30 GHEDHM C[C@@](C#N)([N-]S(=O)(=O)CCc1ccc(Cl)cc1)c1ccccc1Cl ZINC001189124129 916413438 /nfs/dbraw/zinc/41/34/38/916413438.db2.gz XZXGHNZNRPQLEG-KRWDZBQOSA-N -1 3 383.300 3.894 20 30 GHEDHM N#Cc1cc(Br)cc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1 ZINC001189453938 916659399 /nfs/dbraw/zinc/65/93/99/916659399.db2.gz YVZKXNSXHUQWNC-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM N#CCC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC1 ZINC001189773827 916908418 /nfs/dbraw/zinc/90/84/18/916908418.db2.gz NINSLLZTZFSMEP-UHFFFAOYSA-N -1 3 377.691 3.607 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000295250037 917228438 /nfs/dbraw/zinc/22/84/38/917228438.db2.gz CDKVOVXMMWLGOF-GDLCADMTSA-N -1 3 383.414 3.786 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](OCc3ccccc3)CC2)c1 ZINC001190611764 917448165 /nfs/dbraw/zinc/44/81/65/917448165.db2.gz VBEPNBMWCORMAJ-IYARVYRRSA-N -1 3 388.464 3.504 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)c1 ZINC001190669348 917457804 /nfs/dbraw/zinc/45/78/04/917457804.db2.gz OAUNSJJOOIMZKP-UHFFFAOYSA-N -1 3 386.370 3.627 20 30 GHEDHM C=C(C)c1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000900355154 920241322 /nfs/dbraw/zinc/24/13/22/920241322.db2.gz GSULZPBFDRQXKH-QHCPKHFHSA-N -1 3 393.487 3.961 20 30 GHEDHM CCOc1ccc(-c2noc(CCC(=O)N([O-])Cc3ccc(F)cc3)n2)cc1 ZINC000901376084 921054271 /nfs/dbraw/zinc/05/42/71/921054271.db2.gz OZFIDWJXJQIOMZ-UHFFFAOYSA-N -1 3 385.395 3.625 20 30 GHEDHM O=C(CNC(=O)c1sc2ccccc2c1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901378403 921055044 /nfs/dbraw/zinc/05/50/44/921055044.db2.gz HBCJXSKXNIPGCM-UHFFFAOYSA-N -1 3 392.839 3.842 20 30 GHEDHM C[C@@H](CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccccc1 ZINC000901380206 921058424 /nfs/dbraw/zinc/05/84/24/921058424.db2.gz OTNLCBBSEBNJAN-LBPRGKRZSA-N -1 3 381.259 3.920 20 30 GHEDHM O=C(NCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000901380108 921058473 /nfs/dbraw/zinc/05/84/73/921058473.db2.gz XVJQZZHYHQRZED-UHFFFAOYSA-N -1 3 381.259 3.921 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1nccn1-c1ccccc1 ZINC000803069941 922652427 /nfs/dbraw/zinc/65/24/27/922652427.db2.gz MECUUQQLZRKEAP-MRXNPFEDSA-N -1 3 390.443 3.698 20 30 GHEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748476584 923662870 /nfs/dbraw/zinc/66/28/70/923662870.db2.gz QHHZZYBTIBHXHY-UHFFFAOYSA-N -1 3 383.162 3.505 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=C2CCc3cc(O)ccc32)cc1 ZINC000780216353 923855032 /nfs/dbraw/zinc/85/50/32/923855032.db2.gz NGEUMNNTDQJKAR-UHFFFAOYSA-N -1 3 393.468 3.955 20 30 GHEDHM CC[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)Oc1cccc(C(F)(F)F)c1 ZINC000750817432 927870439 /nfs/dbraw/zinc/87/04/39/927870439.db2.gz FOLYFGOOXWCYOF-MQEPLNOPSA-N -1 3 382.382 3.883 20 30 GHEDHM Cc1nc(C(F)(F)F)c(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000759468135 930378193 /nfs/dbraw/zinc/37/81/93/930378193.db2.gz GZJWEPQRRPAKAZ-UHFFFAOYSA-N -1 3 399.394 3.735 20 30 GHEDHM CCOc1cc(C=NN2Cc3ccccc3C2=O)cc(Br)c1[O-] ZINC000781597274 930898285 /nfs/dbraw/zinc/89/82/85/930898285.db2.gz JIQYALHXMOUVOC-UHFFFAOYSA-N -1 3 375.222 3.543 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)nc1 ZINC000781764192 930968119 /nfs/dbraw/zinc/96/81/19/930968119.db2.gz LFHNLSRCFBYMAQ-QGZVFWFLSA-N -1 3 393.443 3.763 20 30 GHEDHM COC(=O)COc1ccc(/C=C2/C(=O)c3c(c(C)ccc3[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC001116737477 933728907 /nfs/dbraw/zinc/72/89/07/933728907.db2.gz VEOFNUAKWVKYNG-ZBQKXELDSA-N -1 3 397.383 3.544 20 30 GHEDHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1Cc2cccc(C#N)c2C1 ZINC001121664129 934731108 /nfs/dbraw/zinc/73/11/08/934731108.db2.gz JMSQCZUSWSYFKO-UHFFFAOYSA-N -1 3 393.878 3.834 20 30 GHEDHM C#C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C(C)C ZINC001573280581 946664518 /nfs/dbraw/zinc/66/45/18/946664518.db2.gz QVDSCBIJQVHIPV-INIZCTEOSA-N -1 3 395.850 3.700 20 30 GHEDHM C=CCC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573318322 947304760 /nfs/dbraw/zinc/30/47/60/947304760.db2.gz AJYQGRFDYAEQBG-UHFFFAOYSA-N -1 3 393.451 3.778 20 30 GHEDHM C=CCC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573318322 947304772 /nfs/dbraw/zinc/30/47/72/947304772.db2.gz AJYQGRFDYAEQBG-UHFFFAOYSA-N -1 3 393.451 3.778 20 30 GHEDHM C[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575247971 949056692 /nfs/dbraw/zinc/05/66/92/949056692.db2.gz MMQLNCKXVLWRPS-QGZVFWFLSA-N -1 3 393.450 3.763 20 30 GHEDHM C[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575247971 949056713 /nfs/dbraw/zinc/05/67/13/949056713.db2.gz MMQLNCKXVLWRPS-QGZVFWFLSA-N -1 3 393.450 3.763 20 30 GHEDHM CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)ccc1[O-] ZINC000756906231 978702098 /nfs/dbraw/zinc/70/20/98/978702098.db2.gz VXKLAYSKZIGPEX-UHFFFAOYSA-N -1 3 385.464 3.777 20 30 GHEDHM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)C[C@@H](O)c1cccc(C#N)c1 ZINC001598508984 992543353 /nfs/dbraw/zinc/54/33/53/992543353.db2.gz QCDGKWZPANLGME-HXUWFJFHSA-N -1 3 376.412 3.682 20 30 GHEDHM C[C@](NCc1ccc(C#N)c(F)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593293144 994682271 /nfs/dbraw/zinc/68/22/71/994682271.db2.gz SSNBDJSJEZAFAK-QGZVFWFLSA-N -1 3 377.213 3.549 20 30 GHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1nc2[nH]ccc2cc1Br ZINC001154929233 1032346117 /nfs/dbraw/zinc/34/61/17/1032346117.db2.gz POEBGCLPFLPVNL-UHFFFAOYSA-N -1 3 377.148 3.679 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c3cc[nH]c3ccc2F)c(C)c1[O-] ZINC001155432117 1032539988 /nfs/dbraw/zinc/53/99/88/1032539988.db2.gz JHEWVJMPWMCEAJ-UHFFFAOYSA-N -1 3 381.363 3.622 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)nc(Cl)c2)cc1Cl ZINC000778604503 1019334783 /nfs/dbraw/zinc/33/47/83/1019334783.db2.gz CJFJGLHHYIAELO-GFCCVEGCSA-N -1 3 378.215 3.667 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[O-] ZINC000749105847 1021746959 /nfs/dbraw/zinc/74/69/59/1021746959.db2.gz YYEHVAPFUCVEKR-WYMPLXKRSA-N -1 3 393.418 3.598 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc3cc(C#N)ccc3[nH]2)c([O-])c1 ZINC001156462944 1033046724 /nfs/dbraw/zinc/04/67/24/1033046724.db2.gz WUNRTHDKNXUGBR-UHFFFAOYSA-N -1 3 377.400 3.953 20 30 GHEDHM Cc1cc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)n1C ZINC000754943838 1022977409 /nfs/dbraw/zinc/97/74/09/1022977409.db2.gz NWQUZTXKDOQYTH-UHFFFAOYSA-N -1 3 382.489 3.889 20 30 GHEDHM Cc1cc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)n1C ZINC000754943838 1022977414 /nfs/dbraw/zinc/97/74/14/1022977414.db2.gz NWQUZTXKDOQYTH-UHFFFAOYSA-N -1 3 382.489 3.889 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000838141146 1024942826 /nfs/dbraw/zinc/94/28/26/1024942826.db2.gz FDGZBPWIQQDWQC-MRXNPFEDSA-N -1 3 398.434 3.569 20 30 GHEDHM C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)ccc1C ZINC001138698296 1025223493 /nfs/dbraw/zinc/22/34/93/1025223493.db2.gz OUPDHOUHVXWOPF-QGZVFWFLSA-N -1 3 398.528 3.890 20 30 GHEDHM CC(=NNC(=S)NCCc1cccs1)c1cc(Br)ccc1[O-] ZINC000839412356 1025896600 /nfs/dbraw/zinc/89/66/00/1025896600.db2.gz AGBWMOHPVOBZIE-UHFFFAOYSA-N -1 3 398.351 3.647 20 30 GHEDHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)OC ZINC001213385358 1028154763 /nfs/dbraw/zinc/15/47/63/1028154763.db2.gz RMHGBVLRDVOLCA-IBGZPJMESA-N -1 3 379.522 3.662 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1nccc2ccccc21 ZINC001149152475 1030076639 /nfs/dbraw/zinc/07/66/39/1030076639.db2.gz VUACCADDBJFIOU-UHFFFAOYSA-N -1 3 375.306 3.699 20 30 GHEDHM C=CCOc1ccc(-c2noc(-c3[n-]nc4c3cccc4C(=O)OC)n2)c(F)c1 ZINC001217471147 1030419145 /nfs/dbraw/zinc/41/91/45/1030419145.db2.gz MZSFCATWCGWZTA-UHFFFAOYSA-N -1 3 394.362 3.770 20 30 GHEDHM C=CCOc1ccc(-c2noc(-c3n[n-]c4c3cccc4C(=O)OC)n2)c(F)c1 ZINC001217471147 1030419153 /nfs/dbraw/zinc/41/91/53/1030419153.db2.gz MZSFCATWCGWZTA-UHFFFAOYSA-N -1 3 394.362 3.770 20 30 GHEDHM C=C(Cl)C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)OCC ZINC001151573853 1030945839 /nfs/dbraw/zinc/94/58/39/1030945839.db2.gz MDVPKAZARXPUMB-KRWDZBQOSA-N -1 3 389.835 3.989 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3cc(F)ccc3n2)c(C)c1[O-] ZINC001153896292 1031797924 /nfs/dbraw/zinc/79/79/24/1031797924.db2.gz PPAQFBFBJQCSKX-UHFFFAOYSA-N -1 3 393.374 3.689 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c[nH]c3ccc(F)cc32)c(C)c1[O-] ZINC001154138886 1031947135 /nfs/dbraw/zinc/94/71/35/1031947135.db2.gz VTXFTFLDDXQJMN-UHFFFAOYSA-N -1 3 381.363 3.622 20 30 GHEDHM CCN1CCC[C@H](Oc2cc(/C=C3\Oc4cc([O-])ccc4C3=O)ccc2O)C1 ZINC001229211490 1033347409 /nfs/dbraw/zinc/34/74/09/1033347409.db2.gz BZUBGTCUCYQDFE-SJJOQSKNSA-N -1 3 381.428 3.577 20 30 GHEDHM CCOC(=O)CC[C@@H](Oc1ccccc1/C=N/c1ccccc1[O-])C(=O)OCC ZINC001229937543 1033800907 /nfs/dbraw/zinc/80/09/07/1033800907.db2.gz MPGZVFYRTUOZNF-KMUCBOENSA-N -1 3 399.443 3.797 20 30 GHEDHM N#C[C@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1cccc(F)c1 ZINC001230185731 1033935312 /nfs/dbraw/zinc/93/53/12/1033935312.db2.gz IGKZYJKZJHBTIC-FQEVSTJZSA-N -1 3 390.418 3.523 20 30 GHEDHM C=C(C)CN1CCC2(CCN(Cc3ccc(Br)c([O-])c3)CC2)C1=O ZINC001277552525 1034845343 /nfs/dbraw/zinc/84/53/43/1034845343.db2.gz WPPSDWPBJSYGJV-UHFFFAOYSA-N -1 3 393.325 3.545 20 30 GHEDHM CCCCCCCCNC(=S)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001247157453 1037953421 /nfs/dbraw/zinc/95/34/21/1037953421.db2.gz FAKDEWRRRLYSNN-HNNXBMFYSA-N -1 3 385.574 3.737 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001233799049 1039625158 /nfs/dbraw/zinc/62/51/58/1039625158.db2.gz DPUDXQDALHNTIX-MFFFZFFHSA-N -1 3 378.469 3.918 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001233807870 1039632119 /nfs/dbraw/zinc/63/21/19/1039632119.db2.gz ZIFCSFOSYMUNKW-PGQRBCSGSA-N -1 3 376.453 3.528 20 30 GHEDHM C=CCN1C(=O)CC[C@]12CCCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001236684184 1041830762 /nfs/dbraw/zinc/83/07/62/1041830762.db2.gz KLBMBOBZZXQLIM-IBGZPJMESA-N -1 3 393.325 3.688 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001263305116 1046703760 /nfs/dbraw/zinc/70/37/60/1046703760.db2.gz RLIJFWMGSFGFHJ-KRWDZBQOSA-N -1 3 385.851 3.880 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001263535244 1046928894 /nfs/dbraw/zinc/92/88/94/1046928894.db2.gz TYGNTIWMUZFLHR-BFYDXBDKSA-N -1 3 379.378 3.886 20 30 GHEDHM Cc1nc(-c2ccccc2)oc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001287677335 1048877683 /nfs/dbraw/zinc/87/76/83/1048877683.db2.gz BBQLQQIGAKWXAG-UHFFFAOYSA-N -1 3 391.427 3.915 20 30 GHEDHM C#CC[C@@]1(C(=O)N([O-])Cc2ccccc2Cl)CCCN1C(=O)OC(C)(C)C ZINC001306895216 1048949075 /nfs/dbraw/zinc/94/90/75/1048949075.db2.gz WIGQZNRTWOWWQI-FQEVSTJZSA-N -1 3 392.883 3.851 20 30 GHEDHM COc1cc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)ccc1OC(F)F ZINC001290238739 1049771862 /nfs/dbraw/zinc/77/18/62/1049771862.db2.gz USPFVJLOOJNKHB-UHFFFAOYSA-N -1 3 382.313 3.576 20 30 GHEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC001309459460 1050735381 /nfs/dbraw/zinc/73/53/81/1050735381.db2.gz MNTOJUVTYONWNE-ZDUSSCGKSA-N -1 3 399.335 3.653 20 30 GHEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)cc2C#N)c2ccco2)cc1 ZINC001309591034 1050841135 /nfs/dbraw/zinc/84/11/35/1050841135.db2.gz MNLWIVPRQSODOO-FQEVSTJZSA-N -1 3 382.441 3.536 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(N2CCCC2)cc1 ZINC001337377654 1052459736 /nfs/dbraw/zinc/45/97/36/1052459736.db2.gz YBIVONYNCFYUNC-UHFFFAOYSA-N -1 3 394.500 3.641 20 30 GHEDHM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cc1 ZINC001342517684 1053211859 /nfs/dbraw/zinc/21/18/59/1053211859.db2.gz FFARVAROZRVEHW-LJQANCHMSA-N -1 3 388.427 3.990 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc(C)c1OC(F)F ZINC001343330069 1053708948 /nfs/dbraw/zinc/70/89/48/1053708948.db2.gz HWQNRCXWOKHCCD-CQSZACIVSA-N -1 3 382.370 3.920 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001343733820 1053991184 /nfs/dbraw/zinc/99/11/84/1053991184.db2.gz QXLLJUMEALJGRH-MRXNPFEDSA-N -1 3 381.436 3.565 20 30 GHEDHM C#CC[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC001344006496 1054180530 /nfs/dbraw/zinc/18/05/30/1054180530.db2.gz MHMFPGHWYYDKCX-AWEZNQCLSA-N -1 3 375.421 3.504 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC[C@H](COC)C1 ZINC001338634968 1058700754 /nfs/dbraw/zinc/70/07/54/1058700754.db2.gz DCZMAENMXVRSQS-AWEZNQCLSA-N -1 3 399.520 3.699 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3cccc(=O)[nH]3)n2CC)c1[O-] ZINC001341312248 1060573556 /nfs/dbraw/zinc/57/35/56/1060573556.db2.gz VIUCMRGTAOPLPE-UHFFFAOYSA-N -1 3 379.464 3.526 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)n(C)n1 ZINC001346228282 1061464313 /nfs/dbraw/zinc/46/43/13/1061464313.db2.gz HMCUQOBUBNEOEH-ZDUSSCGKSA-N -1 3 392.381 3.525 20 30 GHEDHM C=CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001454006570 1061570300 /nfs/dbraw/zinc/57/03/00/1061570300.db2.gz AGLSQNKSJQCREM-UHFFFAOYSA-N -1 3 390.480 3.959 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c([O-])c1 ZINC001457985280 1063486794 /nfs/dbraw/zinc/48/67/94/1063486794.db2.gz UFLSDQPFTZEEHU-UHFFFAOYSA-N -1 3 397.450 3.544 20 30 GHEDHM O=C(c1ccc(F)c(I)c1)N([O-])Cc1ccc(F)cc1 ZINC001458016389 1063508942 /nfs/dbraw/zinc/50/89/42/1063508942.db2.gz MAAVDPHZWQJSDH-UHFFFAOYSA-N -1 3 389.139 3.601 20 30 GHEDHM C=C(C)C[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)OCC ZINC001438906623 1064137513 /nfs/dbraw/zinc/13/75/13/1064137513.db2.gz ABPQPBPFBKVSMI-ZDUSSCGKSA-N -1 3 390.224 3.555 20 30 GHEDHM O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N[C@@H]1CCCN([O-])C1=O ZINC001466397425 1066132149 /nfs/dbraw/zinc/13/21/49/1066132149.db2.gz WBPHPZXOQWFVNM-OAHLLOKOSA-N -1 3 395.246 3.557 20 30 GHEDHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737182564 598917138 /nfs/dbraw/zinc/91/71/38/598917138.db2.gz RUECBQLRHCCQML-UHFFFAOYSA-N -1 3 390.428 3.600 20 30 GHEDHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737182564 598917139 /nfs/dbraw/zinc/91/71/39/598917139.db2.gz RUECBQLRHCCQML-UHFFFAOYSA-N -1 3 390.428 3.600 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736192702 598919822 /nfs/dbraw/zinc/91/98/22/598919822.db2.gz LWPXJAUBLBGULM-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736192702 598919823 /nfs/dbraw/zinc/91/98/23/598919823.db2.gz LWPXJAUBLBGULM-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1-c1nnn[n-]1 ZINC000737719481 598920977 /nfs/dbraw/zinc/92/09/77/598920977.db2.gz QSDDYZMMMZPNTC-UHFFFAOYSA-N -1 3 390.350 3.603 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1-c1nn[n-]n1 ZINC000737719481 598920978 /nfs/dbraw/zinc/92/09/78/598920978.db2.gz QSDDYZMMMZPNTC-UHFFFAOYSA-N -1 3 390.350 3.603 20 30 GHEDHM N#Cc1ccc(OC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000737721204 598926645 /nfs/dbraw/zinc/92/66/45/598926645.db2.gz IARSTMYXLGZYEC-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM N#Cc1ccc(OC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)cc1 ZINC000737721204 598926646 /nfs/dbraw/zinc/92/66/46/598926646.db2.gz IARSTMYXLGZYEC-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1OCCS[C@H](C)c1ccc(C#N)cc1 ZINC000737031594 599009840 /nfs/dbraw/zinc/00/98/40/599009840.db2.gz ASXGOURRFVLODK-CYBMUJFWSA-N -1 3 381.461 3.620 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1OCCS[C@H](C)c1ccc(C#N)cc1 ZINC000737031594 599009842 /nfs/dbraw/zinc/00/98/42/599009842.db2.gz ASXGOURRFVLODK-CYBMUJFWSA-N -1 3 381.461 3.620 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(Br)c1 ZINC000823503884 599117154 /nfs/dbraw/zinc/11/71/54/599117154.db2.gz JYTBWWPGKGLNPK-JYRVWZFOSA-N -1 3 381.233 3.842 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(Br)c1 ZINC000823503884 599117157 /nfs/dbraw/zinc/11/71/57/599117157.db2.gz JYTBWWPGKGLNPK-JYRVWZFOSA-N -1 3 381.233 3.842 20 30 GHEDHM CC(=NNc1ccccc1Cl)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451086 599148312 /nfs/dbraw/zinc/14/83/12/599148312.db2.gz ONBCTTVLSRSYAL-UHFFFAOYSA-N -1 3 392.854 3.850 20 30 GHEDHM COc1ccc(C=C2CCc3[nH]c4ccc(F)cc4c3C2=O)cc1-c1nnn[n-]1 ZINC000737083054 599155795 /nfs/dbraw/zinc/15/57/95/599155795.db2.gz MXJAIGDWZSQIAU-WQLSENKSSA-N -1 3 389.390 3.708 20 30 GHEDHM COc1ccc(C=C2CCc3[nH]c4ccc(F)cc4c3C2=O)cc1-c1nn[n-]n1 ZINC000737083054 599155797 /nfs/dbraw/zinc/15/57/97/599155797.db2.gz MXJAIGDWZSQIAU-WQLSENKSSA-N -1 3 389.390 3.708 20 30 GHEDHM C[C@]12CC3CC(C(=O)Nc4ccc(-c5nnn[n-]5)c(C#N)c4)(C1)C[C@@](C)(C3)C2 ZINC000736229958 599198699 /nfs/dbraw/zinc/19/86/99/599198699.db2.gz PKYXHWARTYSUGF-SWOGZVPRSA-N -1 3 376.464 3.673 20 30 GHEDHM C[C@]12CC3CC(C(=O)Nc4ccc(-c5nn[n-]n5)c(C#N)c4)(C1)C[C@@](C)(C3)C2 ZINC000736229958 599198701 /nfs/dbraw/zinc/19/87/01/599198701.db2.gz PKYXHWARTYSUGF-SWOGZVPRSA-N -1 3 376.464 3.673 20 30 GHEDHM C=CC[C@@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735409767 599203536 /nfs/dbraw/zinc/20/35/36/599203536.db2.gz KVEDDJDEPSKJAG-CQSZACIVSA-N -1 3 379.489 3.853 20 30 GHEDHM C=CC[C@@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735409767 599203538 /nfs/dbraw/zinc/20/35/38/599203538.db2.gz KVEDDJDEPSKJAG-CQSZACIVSA-N -1 3 379.489 3.853 20 30 GHEDHM CCN(CCC#N)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736535386 599213988 /nfs/dbraw/zinc/21/39/88/599213988.db2.gz UMEZSXZWZISQQM-UHFFFAOYSA-N -1 3 396.838 3.688 20 30 GHEDHM N#Cc1ccsc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737727783 598232300 /nfs/dbraw/zinc/23/23/00/598232300.db2.gz AIIGOOOOLHSBFS-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccsc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737727783 598232303 /nfs/dbraw/zinc/23/23/03/598232303.db2.gz AIIGOOOOLHSBFS-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(CC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737711213 598232444 /nfs/dbraw/zinc/23/24/44/598232444.db2.gz HWROKKKGZXKOIF-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1ccc(CC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737711213 598232446 /nfs/dbraw/zinc/23/24/46/598232446.db2.gz HWROKKKGZXKOIF-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(Cl)c1 ZINC000737082267 598314358 /nfs/dbraw/zinc/31/43/58/598314358.db2.gz GQGMLTQPRKWBEI-UHFFFAOYSA-N -1 3 396.760 3.994 20 30 GHEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(Cl)c1 ZINC000737082267 598314360 /nfs/dbraw/zinc/31/43/60/598314360.db2.gz GQGMLTQPRKWBEI-UHFFFAOYSA-N -1 3 396.760 3.994 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737348300 598420287 /nfs/dbraw/zinc/42/02/87/598420287.db2.gz WIRLJNDZYFHEMB-OAHLLOKOSA-N -1 3 392.488 3.603 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737348300 598420290 /nfs/dbraw/zinc/42/02/90/598420290.db2.gz WIRLJNDZYFHEMB-OAHLLOKOSA-N -1 3 392.488 3.603 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000737675783 598591319 /nfs/dbraw/zinc/59/13/19/598591319.db2.gz SDKZYYHIINKYHY-BVBGJJFLSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000737675783 598591321 /nfs/dbraw/zinc/59/13/21/598591321.db2.gz SDKZYYHIINKYHY-BVBGJJFLSA-N -1 3 399.241 3.568 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000737698545 598644988 /nfs/dbraw/zinc/64/49/88/598644988.db2.gz ZYHSAUVCZJCFAA-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000737698545 598644991 /nfs/dbraw/zinc/64/49/91/598644991.db2.gz ZYHSAUVCZJCFAA-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151617 598735515 /nfs/dbraw/zinc/73/55/15/598735515.db2.gz QDCDBZSDYRQWLF-HNNXBMFYSA-N -1 3 391.431 3.592 20 30 GHEDHM C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151617 598735517 /nfs/dbraw/zinc/73/55/17/598735517.db2.gz QDCDBZSDYRQWLF-HNNXBMFYSA-N -1 3 391.431 3.592 20 30 GHEDHM N#Cc1ccc(OCCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737722199 599331253 /nfs/dbraw/zinc/33/12/53/599331253.db2.gz QBFBJJCVLWXPHK-UHFFFAOYSA-N -1 3 388.353 3.638 20 30 GHEDHM N#Cc1ccc(OCCCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737722199 599331255 /nfs/dbraw/zinc/33/12/55/599331255.db2.gz QBFBJJCVLWXPHK-UHFFFAOYSA-N -1 3 388.353 3.638 20 30 GHEDHM Cc1sc2ncnc(N=NC3CCCc4cc(-c5nnn[n-]5)ccc43)c2c1C ZINC000822563429 599332839 /nfs/dbraw/zinc/33/28/39/599332839.db2.gz IQPRZOSDOXGYCG-UHFFFAOYSA-N -1 3 390.476 3.641 20 30 GHEDHM Cc1sc2ncnc(N=NC3CCCc4cc(-c5nn[n-]n5)ccc43)c2c1C ZINC000822563429 599332841 /nfs/dbraw/zinc/33/28/41/599332841.db2.gz IQPRZOSDOXGYCG-UHFFFAOYSA-N -1 3 390.476 3.641 20 30 GHEDHM CC(C)c1ccc(C=NOCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000820192719 599381361 /nfs/dbraw/zinc/38/13/61/599381361.db2.gz WLRBSVQMWACDJV-UHFFFAOYSA-N -1 3 389.419 3.591 20 30 GHEDHM CC(C)c1ccc(C=NOCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000820192719 599381364 /nfs/dbraw/zinc/38/13/64/599381364.db2.gz WLRBSVQMWACDJV-UHFFFAOYSA-N -1 3 389.419 3.591 20 30 GHEDHM Clc1ccc(C(Cc2ccccn2)=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822574384 599664114 /nfs/dbraw/zinc/66/41/14/599664114.db2.gz UBTIFLSPYHCWIZ-UHFFFAOYSA-N -1 3 389.850 3.974 20 30 GHEDHM Clc1ccc(C(Cc2ccccn2)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822574384 599664115 /nfs/dbraw/zinc/66/41/15/599664115.db2.gz UBTIFLSPYHCWIZ-UHFFFAOYSA-N -1 3 389.850 3.974 20 30 GHEDHM C=CCC[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819733868 607391183 /nfs/dbraw/zinc/39/11/83/607391183.db2.gz DHAWNBNKKCQYJC-IBGZPJMESA-N -1 3 376.464 3.716 20 30 GHEDHM C=CCC[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733868 607391184 /nfs/dbraw/zinc/39/11/84/607391184.db2.gz DHAWNBNKKCQYJC-IBGZPJMESA-N -1 3 376.464 3.716 20 30 GHEDHM N#CCC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826381772 607391879 /nfs/dbraw/zinc/39/18/79/607391879.db2.gz YQMGQLCWOAQILR-INIZCTEOSA-N -1 3 381.827 3.687 20 30 GHEDHM N#CCC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826381772 607391881 /nfs/dbraw/zinc/39/18/81/607391881.db2.gz YQMGQLCWOAQILR-INIZCTEOSA-N -1 3 381.827 3.687 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000822923752 607460965 /nfs/dbraw/zinc/46/09/65/607460965.db2.gz SZJAUHDTFDOYCC-VMPITWQZSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000822923752 607460966 /nfs/dbraw/zinc/46/09/66/607460966.db2.gz SZJAUHDTFDOYCC-VMPITWQZSA-N -1 3 392.312 3.843 20 30 GHEDHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832226317 601298469 /nfs/dbraw/zinc/29/84/69/601298469.db2.gz MTIIVKLLFKNVTP-PIGZYNQJSA-N -1 3 389.249 3.806 20 30 GHEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)c(SC)cc1OC ZINC000831989836 601320590 /nfs/dbraw/zinc/32/05/90/601320590.db2.gz NGDAQDSOBAFEAN-IBGZPJMESA-N -1 3 386.473 3.555 20 30 GHEDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000826045010 601869239 /nfs/dbraw/zinc/86/92/39/601869239.db2.gz OLQHYSNBSVCDGZ-QRWLVFNGSA-N -1 3 399.878 3.638 20 30 GHEDHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2c1 ZINC000822280850 606254898 /nfs/dbraw/zinc/25/48/98/606254898.db2.gz ZFKALSQZTGWODH-UHFFFAOYSA-N -1 3 395.426 3.725 20 30 GHEDHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2c1 ZINC000822280850 606254899 /nfs/dbraw/zinc/25/48/99/606254899.db2.gz ZFKALSQZTGWODH-UHFFFAOYSA-N -1 3 395.426 3.725 20 30 GHEDHM N#Cc1cccnc1Oc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822842465 606449240 /nfs/dbraw/zinc/44/92/40/606449240.db2.gz JPPNKYSWKBYWIX-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM N#Cc1cccnc1Oc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822842465 606449241 /nfs/dbraw/zinc/44/92/41/606449241.db2.gz JPPNKYSWKBYWIX-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM C[C@@H]1CCC(=CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820674917 606626611 /nfs/dbraw/zinc/62/66/11/606626611.db2.gz HHMHWOJGMMGAHK-JMNAUKJMSA-N -1 3 390.472 3.913 20 30 GHEDHM C[C@@H]1CCC(=CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820674917 606626613 /nfs/dbraw/zinc/62/66/13/606626613.db2.gz HHMHWOJGMMGAHK-JMNAUKJMSA-N -1 3 390.472 3.913 20 30 GHEDHM C=CCn1c(SCc2ccc(-c3nnn[n-]3)cc2F)nnc1-c1cccs1 ZINC000819766378 607016295 /nfs/dbraw/zinc/01/62/95/607016295.db2.gz YEIVXAZYVXAXGO-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C=CCn1c(SCc2ccc(-c3nn[n-]n3)cc2F)nnc1-c1cccs1 ZINC000819766378 607016298 /nfs/dbraw/zinc/01/62/98/607016298.db2.gz YEIVXAZYVXAXGO-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C=CCOc1ccc(-c2nnc(SCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000819758666 607169318 /nfs/dbraw/zinc/16/93/18/607169318.db2.gz DXDUNGFJSAAMAZ-UHFFFAOYSA-N -1 3 392.444 3.774 20 30 GHEDHM C=CCOc1ccc(-c2nnc(SCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000819758666 607169319 /nfs/dbraw/zinc/16/93/19/607169319.db2.gz DXDUNGFJSAAMAZ-UHFFFAOYSA-N -1 3 392.444 3.774 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475344 607842964 /nfs/dbraw/zinc/84/29/64/607842964.db2.gz CISVLGUYYOZRJD-XVNBXDOJSA-N -1 3 393.291 3.965 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475344 607842965 /nfs/dbraw/zinc/84/29/65/607842965.db2.gz CISVLGUYYOZRJD-XVNBXDOJSA-N -1 3 393.291 3.965 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000823910118 607924751 /nfs/dbraw/zinc/92/47/51/607924751.db2.gz XPSOTGDRYBVYKI-HXUWFJFHSA-N -1 3 393.466 3.960 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000823910118 607924752 /nfs/dbraw/zinc/92/47/52/607924752.db2.gz XPSOTGDRYBVYKI-HXUWFJFHSA-N -1 3 393.466 3.960 20 30 GHEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)Cc2c1c(Br)ccc2F ZINC000826476033 607983212 /nfs/dbraw/zinc/98/32/12/607983212.db2.gz ZIAUFMOUCYHLDJ-XFFZJAGNSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)Cc2c1c(Br)ccc2F ZINC000826476033 607983213 /nfs/dbraw/zinc/98/32/13/607983213.db2.gz ZIAUFMOUCYHLDJ-XFFZJAGNSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475665 608015626 /nfs/dbraw/zinc/01/56/26/608015626.db2.gz MPFOYXDXNQKLMY-LFYBBSHMSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475665 608015627 /nfs/dbraw/zinc/01/56/27/608015627.db2.gz MPFOYXDXNQKLMY-LFYBBSHMSA-N -1 3 385.196 3.591 20 30 GHEDHM C[C@H](C#N)COC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824035250 608075229 /nfs/dbraw/zinc/07/52/29/608075229.db2.gz VBDUMKKSOBSLTL-LLVKDONJSA-N -1 3 383.795 3.629 20 30 GHEDHM C[C@H](C#N)COC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824035250 608075230 /nfs/dbraw/zinc/07/52/30/608075230.db2.gz VBDUMKKSOBSLTL-LLVKDONJSA-N -1 3 383.795 3.629 20 30 GHEDHM C[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824926063 608141721 /nfs/dbraw/zinc/14/17/21/608141721.db2.gz INXAPCLHMDFTLF-UGFHNGPFSA-N -1 3 378.461 3.603 20 30 GHEDHM C[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824926063 608141722 /nfs/dbraw/zinc/14/17/22/608141722.db2.gz INXAPCLHMDFTLF-UGFHNGPFSA-N -1 3 378.461 3.603 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000823909760 608235438 /nfs/dbraw/zinc/23/54/38/608235438.db2.gz PTKAKZMBRMHJQT-VQHVLOKHSA-N -1 3 384.443 3.576 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000823909760 608235440 /nfs/dbraw/zinc/23/54/40/608235440.db2.gz PTKAKZMBRMHJQT-VQHVLOKHSA-N -1 3 384.443 3.576 20 30 GHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475809 608288809 /nfs/dbraw/zinc/28/88/09/608288809.db2.gz RGLLHJNRKWLDQQ-UXBLZVDNSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475809 608288810 /nfs/dbraw/zinc/28/88/10/608288810.db2.gz RGLLHJNRKWLDQQ-UXBLZVDNSA-N -1 3 385.196 3.591 20 30 GHEDHM C=CC1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000823883262 608357257 /nfs/dbraw/zinc/35/72/57/608357257.db2.gz MMVMEUXQOCNRKC-UHFFFAOYSA-N -1 3 388.475 3.641 20 30 GHEDHM C=CC1CCN(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000823883262 608357259 /nfs/dbraw/zinc/35/72/59/608357259.db2.gz MMVMEUXQOCNRKC-UHFFFAOYSA-N -1 3 388.475 3.641 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1OC(F)(F)F ZINC000823958108 608538219 /nfs/dbraw/zinc/53/82/19/608538219.db2.gz CEFAXGNCVXMYKA-UHFFFAOYSA-N -1 3 397.748 3.650 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1OC(F)(F)F ZINC000823958108 608538221 /nfs/dbraw/zinc/53/82/21/608538221.db2.gz CEFAXGNCVXMYKA-UHFFFAOYSA-N -1 3 397.748 3.650 20 30 GHEDHM N#CC1(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000826380293 609157515 /nfs/dbraw/zinc/15/75/15/609157515.db2.gz UTBPIRWYTAWYMI-UHFFFAOYSA-N -1 3 389.415 3.900 20 30 GHEDHM N#CC1(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000826380293 609157516 /nfs/dbraw/zinc/15/75/16/609157516.db2.gz UTBPIRWYTAWYMI-UHFFFAOYSA-N -1 3 389.415 3.900 20 30 GHEDHM CC(=NNc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958551 609159480 /nfs/dbraw/zinc/15/94/80/609159480.db2.gz QHMMZZDLYVAEAD-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958551 609159481 /nfs/dbraw/zinc/15/94/81/609159481.db2.gz QHMMZZDLYVAEAD-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400660 609271093 /nfs/dbraw/zinc/27/10/93/609271093.db2.gz DQEQCBTWUFQRPR-DAXSKMNVSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400660 609271094 /nfs/dbraw/zinc/27/10/94/609271094.db2.gz DQEQCBTWUFQRPR-DAXSKMNVSA-N -1 3 392.312 3.843 20 30 GHEDHM CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825379181 609298227 /nfs/dbraw/zinc/29/82/27/609298227.db2.gz BIVIBIGHLFTNAQ-LBPRGKRZSA-N -1 3 380.839 3.615 20 30 GHEDHM CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825379181 609298228 /nfs/dbraw/zinc/29/82/28/609298228.db2.gz BIVIBIGHLFTNAQ-LBPRGKRZSA-N -1 3 380.839 3.615 20 30 GHEDHM Cn1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C2CCCCC2)n1 ZINC000826360557 609472522 /nfs/dbraw/zinc/47/25/22/609472522.db2.gz PEDMSOQWXZHFOI-UHFFFAOYSA-N -1 3 384.875 3.747 20 30 GHEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C2CCCCC2)n1 ZINC000826360557 609472524 /nfs/dbraw/zinc/47/25/24/609472524.db2.gz PEDMSOQWXZHFOI-UHFFFAOYSA-N -1 3 384.875 3.747 20 30 GHEDHM CCCCOc1ccccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000066547550 837769985 /nfs/dbraw/zinc/76/99/85/837769985.db2.gz ZHQVQEHBPCDTSI-UHFFFAOYSA-N -1 3 382.460 3.718 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(C)c(F)c2)CCCC1 ZINC000329746015 835850744 /nfs/dbraw/zinc/85/07/44/835850744.db2.gz ROUAYVFIRWSQHE-UHFFFAOYSA-N -1 3 395.456 3.618 20 30 GHEDHM CC(C)Cn1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000892499540 836291880 /nfs/dbraw/zinc/29/18/80/836291880.db2.gz YBMVHPUVXDWVLR-AWEZNQCLSA-N -1 3 379.247 3.807 20 30 GHEDHM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266283 838508407 /nfs/dbraw/zinc/50/84/07/838508407.db2.gz LUTYWSBAXMHSKV-UHFFFAOYSA-N -1 3 382.321 3.596 20 30 GHEDHM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266283 838508414 /nfs/dbraw/zinc/50/84/14/838508414.db2.gz LUTYWSBAXMHSKV-UHFFFAOYSA-N -1 3 382.321 3.596 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCCC1 ZINC000180668996 838571915 /nfs/dbraw/zinc/57/19/15/838571915.db2.gz OQZGGFVJNJLEBQ-UHFFFAOYSA-N -1 3 377.691 3.607 20 30 GHEDHM C#CCOc1cccc([C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000730699026 861231707 /nfs/dbraw/zinc/23/17/07/861231707.db2.gz BQHBYVARYJUSSG-MRXNPFEDSA-N -1 3 378.428 3.525 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCCC1 ZINC000408182788 841915624 /nfs/dbraw/zinc/91/56/24/841915624.db2.gz MJHJYMGHRGSZDR-UHFFFAOYSA-N -1 3 377.691 3.607 20 30 GHEDHM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000425090541 842389063 /nfs/dbraw/zinc/38/90/63/842389063.db2.gz UVHBOCPJZGWNPJ-NSHDSACASA-N -1 3 392.333 3.694 20 30 GHEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1F ZINC000121539041 842648461 /nfs/dbraw/zinc/64/84/61/842648461.db2.gz TYNFDGRPAUOXBQ-GFCCVEGCSA-N -1 3 390.798 3.766 20 30 GHEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000131406568 861373763 /nfs/dbraw/zinc/37/37/63/861373763.db2.gz GALZPSBBAHLVKM-UHFFFAOYSA-N -1 3 375.222 3.822 20 30 GHEDHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc(C#N)ccc3C)n2)cc1 ZINC000471896804 843314458 /nfs/dbraw/zinc/31/44/58/843314458.db2.gz PZLZARVJGGALSH-AWEZNQCLSA-N -1 3 396.472 3.519 20 30 GHEDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccc(Cl)c1 ZINC000582084861 846280624 /nfs/dbraw/zinc/28/06/24/846280624.db2.gz JFTZRYCGTOHYMW-OAHLLOKOSA-N -1 3 385.272 3.531 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158181665 847061732 /nfs/dbraw/zinc/06/17/32/847061732.db2.gz IWQDYINLNGCTQR-PCQWDSEFSA-N -1 3 380.673 3.901 20 30 GHEDHM COc1cccc([C@H]2C[C@H](N(C)C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000514657007 850115263 /nfs/dbraw/zinc/11/52/63/850115263.db2.gz TZNBTPZRDUGSKJ-IYARVYRRSA-N -1 3 393.487 3.622 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cc(C)cc(C)c2)CCCC1 ZINC000329695327 862099261 /nfs/dbraw/zinc/09/92/61/862099261.db2.gz BIYOXENUUSWYJP-UHFFFAOYSA-N -1 3 391.493 3.788 20 30 GHEDHM C=CCCC[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908748311 850319963 /nfs/dbraw/zinc/31/99/63/850319963.db2.gz DANBYJPANQTFLO-SJORKVTESA-N -1 3 393.553 3.630 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000435606305 850695308 /nfs/dbraw/zinc/69/53/08/850695308.db2.gz KXQMPYJDZLPHLR-YGRLFVJLSA-N -1 3 383.819 3.618 20 30 GHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000436133185 851243549 /nfs/dbraw/zinc/24/35/49/851243549.db2.gz SEOGLWZNLVCPGV-UHFFFAOYSA-N -1 3 381.442 3.727 20 30 GHEDHM C=CCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000490001948 852698009 /nfs/dbraw/zinc/69/80/09/852698009.db2.gz CVRVASKXCVDTLE-UHFFFAOYSA-N -1 3 390.480 3.959 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2CN2CCOCC2)s1 ZINC000516658780 852850843 /nfs/dbraw/zinc/85/08/43/852850843.db2.gz XQSRRECROXCYPW-KRWDZBQOSA-N -1 3 383.517 3.763 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H](c1ccccc1)N1CCOCC1 ZINC000912961541 852920713 /nfs/dbraw/zinc/92/07/13/852920713.db2.gz BKIZTNIIRIQUNM-KOMLCTQHSA-N -1 3 389.293 3.647 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000133176580 862435580 /nfs/dbraw/zinc/43/55/80/862435580.db2.gz XOQFZKQBNOZVJB-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM C=CCCO[C@H](C)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000590314950 855372561 /nfs/dbraw/zinc/37/25/61/855372561.db2.gz HWWRVQJELMMLII-SNVBAGLBSA-N -1 3 398.688 3.834 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000131687787 855621029 /nfs/dbraw/zinc/62/10/29/855621029.db2.gz UKZJWYWFWIHHEH-MRXNPFEDSA-N -1 3 395.415 3.862 20 30 GHEDHM CCOCc1nc(C)cc(N=NC(C)c2ccc([O-])c(Br)c2)n1 ZINC000905502684 856357009 /nfs/dbraw/zinc/35/70/09/856357009.db2.gz JAZSOUPWEIRWNF-UHFFFAOYSA-N -1 3 379.258 3.626 20 30 GHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c(Br)c1O ZINC000761010583 857244343 /nfs/dbraw/zinc/24/43/43/857244343.db2.gz JYBKFPUCXQSQIF-UTCJRWHESA-N -1 3 379.206 3.774 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)ccc1F ZINC001128211939 857263429 /nfs/dbraw/zinc/26/34/29/857263429.db2.gz VEBOFVKFXIRQPW-NVXWUHKLSA-N -1 3 396.528 3.625 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(=O)[n-]1 ZINC000066789113 858300369 /nfs/dbraw/zinc/30/03/69/858300369.db2.gz HTWIJMOEVXLQEC-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521796266 858316772 /nfs/dbraw/zinc/31/67/72/858316772.db2.gz AYELEOUWXZAZKR-LLVKDONJSA-N -1 3 385.401 3.970 20 30 GHEDHM CCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1C(CC)CC ZINC000482706975 858770384 /nfs/dbraw/zinc/77/03/84/858770384.db2.gz RJTKMBMGJSZJRU-UHFFFAOYSA-N -1 3 383.496 3.967 20 30 GHEDHM COc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc(OC)c1[O-] ZINC000764325650 859395544 /nfs/dbraw/zinc/39/55/44/859395544.db2.gz AJMRHABNQBAIKQ-UHFFFAOYSA-N -1 3 394.452 3.940 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@](C)(Cc1ccccc1)C(C)C ZINC000601837615 859564256 /nfs/dbraw/zinc/56/42/56/859564256.db2.gz QEHAGKCBOHXROC-HSZRJFAPSA-N -1 3 379.504 3.982 20 30 GHEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cn1 ZINC000727954763 860334042 /nfs/dbraw/zinc/33/40/42/860334042.db2.gz UOANBPCXFKWOHE-CYBMUJFWSA-N -1 3 389.864 3.817 20 30 GHEDHM N#Cc1ccc(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)nc1 ZINC000602909732 860342921 /nfs/dbraw/zinc/34/29/21/860342921.db2.gz MUJJXUJHZSMHHT-UHFFFAOYSA-N -1 3 385.427 3.728 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)ccc1F ZINC000598502306 860364701 /nfs/dbraw/zinc/36/47/01/860364701.db2.gz PNWZNMLLCKWRHD-UHFFFAOYSA-N -1 3 393.827 3.660 20 30 GHEDHM COc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C(C)(C)C)c1 ZINC000060951702 860411435 /nfs/dbraw/zinc/41/14/35/860411435.db2.gz CUITVLLAGOMGJN-UHFFFAOYSA-N -1 3 382.460 3.708 20 30 GHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000494344008 881565713 /nfs/dbraw/zinc/56/57/13/881565713.db2.gz BNAMYWICJAAKBK-CYBMUJFWSA-N -1 3 379.707 3.709 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCc1cscn1 ZINC000041515974 860806690 /nfs/dbraw/zinc/80/66/90/860806690.db2.gz DRQWQELRQAGEOY-AWEZNQCLSA-N -1 3 385.470 3.986 20 30 GHEDHM N#Cc1c(F)cccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000428302945 860927351 /nfs/dbraw/zinc/92/73/51/860927351.db2.gz HJTLCOQOXACGHY-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM C=CCC[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281896783 863455722 /nfs/dbraw/zinc/45/57/22/863455722.db2.gz NZYRHLFKYBSAIW-QGZVFWFLSA-N -1 3 397.441 3.794 20 30 GHEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1C ZINC000184282067 864282594 /nfs/dbraw/zinc/28/25/94/864282594.db2.gz XNKXVQBQAJBHNA-UHFFFAOYSA-N -1 3 399.255 3.761 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)cc1 ZINC000793124694 881930999 /nfs/dbraw/zinc/93/09/99/881930999.db2.gz MRHDTSFNVPZWDY-KBXCAEBGSA-N -1 3 392.459 3.740 20 30 GHEDHM Cc1cc(Cl)ccc1Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000445587969 868673042 /nfs/dbraw/zinc/67/30/42/868673042.db2.gz OZQAGKKALVFGAQ-UHFFFAOYSA-N -1 3 382.851 3.997 20 30 GHEDHM N#Cc1ccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)cc1 ZINC000445984775 869238399 /nfs/dbraw/zinc/23/83/99/869238399.db2.gz DCVYGLRDUQASAE-HNNXBMFYSA-N -1 3 375.306 3.728 20 30 GHEDHM CCOc1ccc(C#N)cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446106131 869383268 /nfs/dbraw/zinc/38/32/68/869383268.db2.gz YLVQSCYZQMDTDD-UHFFFAOYSA-N -1 3 396.222 3.941 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Oc3ccccc3)ccn2)cc1 ZINC000745947494 869898986 /nfs/dbraw/zinc/89/89/86/869898986.db2.gz BCEOZCFMRJCLRM-LJQANCHMSA-N -1 3 387.395 3.844 20 30 GHEDHM CSc1ncc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c(C(F)(F)F)n1 ZINC001192655936 870562095 /nfs/dbraw/zinc/56/20/95/870562095.db2.gz XLAPEJIJXGNDTP-UHFFFAOYSA-N -1 3 384.408 3.891 20 30 GHEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1Cl ZINC000766434828 870764513 /nfs/dbraw/zinc/76/45/13/870764513.db2.gz ZKPZBRJUESQBLK-INIZCTEOSA-N -1 3 386.864 3.923 20 30 GHEDHM CCCCCCC[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001192937240 870797433 /nfs/dbraw/zinc/79/74/33/870797433.db2.gz AAIDRBBAMPQMBM-KRWDZBQOSA-N -1 3 375.513 3.609 20 30 GHEDHM Cc1nn(C)c2sc(C(=O)[N-]c3cc(C#N)cc([N+](=O)[O-])c3Cl)cc12 ZINC000746481408 870847341 /nfs/dbraw/zinc/84/73/41/870847341.db2.gz IQYPDYRKEKEHSL-UHFFFAOYSA-N -1 3 375.797 3.629 20 30 GHEDHM CN(c1ccccc1)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000181431942 871000201 /nfs/dbraw/zinc/00/02/01/871000201.db2.gz YBUSMCMGLDNOMA-GOSISDBHSA-N -1 3 386.459 3.657 20 30 GHEDHM C=CCC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000619108052 872293937 /nfs/dbraw/zinc/29/39/37/872293937.db2.gz OANVPXBLAOTKRS-UHFFFAOYSA-N -1 3 375.266 3.909 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nccc(Cl)c2Cl)c(C)c1[O-] ZINC001195459365 872404435 /nfs/dbraw/zinc/40/44/35/872404435.db2.gz OHJBNHOTHKSRNG-UHFFFAOYSA-N -1 3 394.214 3.703 20 30 GHEDHM N#CC(=C([O-])c1ccc(OC(F)F)cn1)c1nc2ccccc2n1C(F)F ZINC000478101263 872479609 /nfs/dbraw/zinc/47/96/09/872479609.db2.gz LHFUPMJYNWHRAT-SNVBAGLBSA-N -1 3 378.285 3.918 20 30 GHEDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC001272349544 872569884 /nfs/dbraw/zinc/56/98/84/872569884.db2.gz DGGUGZMCGCQTDL-UHFFFAOYSA-N -1 3 396.790 3.766 20 30 GHEDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC001272349544 872569899 /nfs/dbraw/zinc/56/98/99/872569899.db2.gz DGGUGZMCGCQTDL-UHFFFAOYSA-N -1 3 396.790 3.766 20 30 GHEDHM Cc1nc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(=O)[n-]1 ZINC001196147808 872897936 /nfs/dbraw/zinc/89/79/36/872897936.db2.gz SFTBZRBYOLPPAW-UHFFFAOYSA-N -1 3 376.441 3.907 20 30 GHEDHM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccnn3-c3ccncc3)c2)c1 ZINC001196309278 873002728 /nfs/dbraw/zinc/00/27/28/873002728.db2.gz TTYXKFNVDGEGEN-UHFFFAOYSA-N -1 3 381.395 3.764 20 30 GHEDHM C#C[C@@H](CC)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000768057408 873039802 /nfs/dbraw/zinc/03/98/02/873039802.db2.gz WTKLGGASIWSXLN-AWEZNQCLSA-N -1 3 375.421 3.504 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CSc3ccc(Br)cc32)c1[O-] ZINC000775740027 873320315 /nfs/dbraw/zinc/32/03/15/873320315.db2.gz JQPUDNXDMGKDLY-RFYAOSGFSA-N -1 3 379.279 3.616 20 30 GHEDHM CC(=O)c1ccc(NC(=O)c2cccnc2C(=O)[N-]c2occ(C)c2C#N)cc1 ZINC001197904150 874120123 /nfs/dbraw/zinc/12/01/23/874120123.db2.gz UKSBHCKYFWTIEX-UHFFFAOYSA-N -1 3 388.383 3.562 20 30 GHEDHM COc1cc(C=NNc2ccc(F)c([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000769829677 874314259 /nfs/dbraw/zinc/31/42/59/874314259.db2.gz IBCPWUFVQDCDGW-UHFFFAOYSA-N -1 3 384.161 3.657 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccn(C(F)F)n1 ZINC000776076964 875308642 /nfs/dbraw/zinc/30/86/42/875308642.db2.gz LXNSXCKRFRWICF-JTQLQIEISA-N -1 3 386.330 3.554 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000173003098 876076328 /nfs/dbraw/zinc/07/63/28/876076328.db2.gz JCRBUCAOKBEGFE-UHFFFAOYSA-N -1 3 388.489 3.717 20 30 GHEDHM CC(=O)N(c1nc(COC(=O)c2cc([O-])cc(C#N)c2)cs1)c1ccccc1 ZINC000776280622 876170020 /nfs/dbraw/zinc/17/00/20/876170020.db2.gz VGDDDAIYTMFLJD-UHFFFAOYSA-N -1 3 393.424 3.762 20 30 GHEDHM Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc3occc3[n-]2)ccc1Cl ZINC000786030136 876416334 /nfs/dbraw/zinc/41/63/34/876416334.db2.gz CZXGXRFLDSATRD-UHFFFAOYSA-N -1 3 385.807 3.826 20 30 GHEDHM Cc1c(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c2ccccc2n1C ZINC000853306701 878963350 /nfs/dbraw/zinc/96/33/50/878963350.db2.gz VWNFPZMVTPVMOT-UHFFFAOYSA-N -1 3 377.452 3.533 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000175108071 883301087 /nfs/dbraw/zinc/30/10/87/883301087.db2.gz GYJUOLXKVHBJBU-HNNXBMFYSA-N -1 3 394.381 3.674 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCC)c2ccccc2)ccc1F ZINC000914466668 883337904 /nfs/dbraw/zinc/33/79/04/883337904.db2.gz MGXWKBGQRMCBPK-SFHVURJKSA-N -1 3 390.480 3.561 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)CCCCC1 ZINC000475795171 883904847 /nfs/dbraw/zinc/90/48/47/883904847.db2.gz WXJHHUZYLPBIOV-INIZCTEOSA-N -1 3 375.519 3.626 20 30 GHEDHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000475826272 884515135 /nfs/dbraw/zinc/51/51/35/884515135.db2.gz GGMWJJSCWXSXGF-UHFFFAOYSA-N -1 3 378.837 3.614 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cccc(Br)c1 ZINC000106353704 885042913 /nfs/dbraw/zinc/04/29/13/885042913.db2.gz MJZVDCJXPDQHCW-HNNXBMFYSA-N -1 3 381.233 3.828 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc(O)ccc2Br)c(OC)cc1[O-] ZINC000119003338 886512498 /nfs/dbraw/zinc/51/24/98/886512498.db2.gz ISSDXZUKVIKETG-ZZXKWVIFSA-N -1 3 379.206 3.774 20 30 GHEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459284936 887056222 /nfs/dbraw/zinc/05/62/22/887056222.db2.gz UVJLNCDJKRGDNL-QGZVFWFLSA-N -1 3 386.293 3.537 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)c(OC)cc1[O-] ZINC000763104213 887664941 /nfs/dbraw/zinc/66/49/41/887664941.db2.gz BGIHXPLHFPEMOC-SREVYHEPSA-N -1 3 395.333 3.806 20 30 GHEDHM C#CCC1(OC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000810751674 888848824 /nfs/dbraw/zinc/84/88/24/888848824.db2.gz FBPWZALFCJLJHE-UHFFFAOYSA-N -1 3 387.432 3.729 20 30 GHEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCSc2ccccc21 ZINC000811187931 889273393 /nfs/dbraw/zinc/27/33/93/889273393.db2.gz QAPSUXQFVIFQRO-IBGZPJMESA-N -1 3 396.468 3.584 20 30 GHEDHM N#CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000124503282 889652755 /nfs/dbraw/zinc/65/27/55/889652755.db2.gz NQNNGWDNJQMJKG-AWEZNQCLSA-N -1 3 379.825 3.572 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nc2sc(C)c(C)c2c1=O ZINC000125624721 890057562 /nfs/dbraw/zinc/05/75/62/890057562.db2.gz GCDVHHNELKCPDW-LBPRGKRZSA-N -1 3 388.518 3.918 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000916909495 890406153 /nfs/dbraw/zinc/40/61/53/890406153.db2.gz CDJLQWCETRXOLJ-CQSZACIVSA-N -1 3 382.782 3.626 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1[O-] ZINC000812444747 890637587 /nfs/dbraw/zinc/63/75/87/890637587.db2.gz MRAFTKNDNFBXQW-WCCGLUEHSA-N -1 3 375.266 3.716 20 30 GHEDHM CCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OCCC ZINC000917507934 892106351 /nfs/dbraw/zinc/10/63/51/892106351.db2.gz DBUFRXGNFLOYQF-INIZCTEOSA-N -1 3 381.432 3.620 20 30 GHEDHM CCOc1cc(C=NNc2nc3ccccc3c(=O)n2CC)cc(Cl)c1[O-] ZINC000917581714 892245316 /nfs/dbraw/zinc/24/53/16/892245316.db2.gz SPBONQVHEWIXEY-UHFFFAOYSA-N -1 3 386.839 3.620 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2C)ccc1F ZINC000774850404 913765168 /nfs/dbraw/zinc/76/51/68/913765168.db2.gz QTYJDUKJCBLKNO-UHFFFAOYSA-N -1 3 394.493 3.573 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nnn1-c1ccccc1 ZINC000918486437 893800212 /nfs/dbraw/zinc/80/02/12/893800212.db2.gz HXTDMMZLHVOAQP-IBGZPJMESA-N -1 3 395.422 3.690 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000536885884 894021704 /nfs/dbraw/zinc/02/17/04/894021704.db2.gz MAKPVZSWZQIYPD-UHFFFAOYSA-N -1 3 385.423 3.819 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000819743140 896967435 /nfs/dbraw/zinc/96/74/35/896967435.db2.gz DENTWUTUABEPFE-RTBURBONSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000819743140 896967443 /nfs/dbraw/zinc/96/74/43/896967443.db2.gz DENTWUTUABEPFE-RTBURBONSA-N -1 3 380.496 3.533 20 30 GHEDHM O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)N[C@H]1CCCN([O-])C1=O ZINC000820482877 897353253 /nfs/dbraw/zinc/35/32/53/897353253.db2.gz STZGZGYOIBQQOT-WWRUEGTHSA-N -1 3 376.865 3.578 20 30 GHEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC001136672992 898855451 /nfs/dbraw/zinc/85/54/51/898855451.db2.gz FTOIVFUGPBLMLT-HNNXBMFYSA-N -1 3 390.226 3.818 20 30 GHEDHM C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823873439 899269630 /nfs/dbraw/zinc/26/96/30/899269630.db2.gz MABJOUIVHIGPBK-OAHLLOKOSA-N -1 3 376.464 3.812 20 30 GHEDHM C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823873439 899269644 /nfs/dbraw/zinc/26/96/44/899269644.db2.gz MABJOUIVHIGPBK-OAHLLOKOSA-N -1 3 376.464 3.812 20 30 GHEDHM C=C(C)COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC ZINC000823878106 899302009 /nfs/dbraw/zinc/30/20/09/899302009.db2.gz OSQMOWJACQSPKS-YWEYNIOJSA-N -1 3 394.406 3.865 20 30 GHEDHM C=C(C)COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC ZINC000823878106 899302027 /nfs/dbraw/zinc/30/20/27/899302027.db2.gz OSQMOWJACQSPKS-YWEYNIOJSA-N -1 3 394.406 3.865 20 30 GHEDHM CCc1ccc(CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)cc1 ZINC000045200147 900735163 /nfs/dbraw/zinc/73/51/63/900735163.db2.gz QTDLKRZVGKIILX-UHFFFAOYSA-N 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908398820 /nfs/dbraw/zinc/39/88/20/908398820.db2.gz JYVFYJVYBPHNTI-GOSISDBHSA-N -1 3 381.391 3.642 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(C)(C)c2ccc(OC)cc2)c(C)c1[O-] ZINC001180874202 910404742 /nfs/dbraw/zinc/40/47/42/910404742.db2.gz GJVTYRBYZZDCMU-UHFFFAOYSA-N -1 3 396.443 3.674 20 30 GHEDHM CCCCCCCCc1nnc([N-]C(=O)c2ccc(CS(C)(=O)=O)o2)s1 ZINC000299720129 921622178 /nfs/dbraw/zinc/62/21/78/921622178.db2.gz ZDDKTHATVNJLNN-UHFFFAOYSA-N -1 3 399.538 3.831 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3occ(C)c3c2)ccc1F ZINC000773997805 911245037 /nfs/dbraw/zinc/24/50/37/911245037.db2.gz GMFLHJAGBFKLAQ-UHFFFAOYSA-N -1 3 388.420 3.597 20 30 GHEDHM C=CCc1ccc(OCC(=O)Nc2ccc(Br)cc2[O-])c(OC)c1 ZINC000642323193 911979618 /nfs/dbraw/zinc/97/96/18/911979618.db2.gz UIXDOOADNVTVSP-UHFFFAOYSA-N -1 3 392.249 3.909 20 30 GHEDHM C#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC001190546918 917403192 /nfs/dbraw/zinc/40/31/92/917403192.db2.gz DNKQZLDJWQFCCS-UHFFFAOYSA-N -1 3 390.711 3.624 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC001190681279 917509331 /nfs/dbraw/zinc/50/93/31/917509331.db2.gz IXBFCVPDHBNQIL-MRXNPFEDSA-N -1 3 378.856 3.823 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cc1C(F)(F)F ZINC001191865855 918267882 /nfs/dbraw/zinc/26/78/82/918267882.db2.gz HKDCEWYDTGWKNG-UHFFFAOYSA-N -1 3 393.749 3.706 20 30 GHEDHM N#Cc1nc2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)cc2s1 ZINC001191897992 918289174 /nfs/dbraw/zinc/28/91/74/918289174.db2.gz LHNZOEAYBDOCJJ-UHFFFAOYSA-N -1 3 381.841 3.902 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC000297658219 919547723 /nfs/dbraw/zinc/54/77/23/919547723.db2.gz CGRWAIBAQOCRAG-VHSXEESVSA-N -1 3 396.472 3.706 20 30 GHEDHM COc1ccccc1N1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CC1=O ZINC000901368034 921044270 /nfs/dbraw/zinc/04/42/70/921044270.db2.gz PRNAGMVKYYYMQM-GOSISDBHSA-N -1 3 390.439 3.619 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/CC1CCN(CC(F)(F)F)CC1 ZINC000780148701 923474501 /nfs/dbraw/zinc/47/45/01/923474501.db2.gz KCKQFQNYUYKOOC-AWQFTUOYSA-N -1 3 379.220 3.848 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)OCCOc3c(C#N)cnc4ccccc43)n[n-]2)o1 ZINC000726364125 926640415 /nfs/dbraw/zinc/64/04/15/926640415.db2.gz HRWPGPTZEZYDBS-UHFFFAOYSA-N -1 3 388.383 3.634 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)OCCOc3c(C#N)cnc4ccccc43)[n-]n2)o1 ZINC000726364125 926640423 /nfs/dbraw/zinc/64/04/23/926640423.db2.gz HRWPGPTZEZYDBS-UHFFFAOYSA-N -1 3 388.383 3.634 20 30 GHEDHM Cc1sc2[n-]c([C@H](C)OC(=O)CCc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000012957014 928282765 /nfs/dbraw/zinc/28/27/65/928282765.db2.gz XAIIMJOYJSAGMZ-LBPRGKRZSA-N -1 3 381.457 3.710 20 30 GHEDHM Cc1ccc([C@H]2C[C@H](OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCO2)cc1 ZINC000757535541 929726080 /nfs/dbraw/zinc/72/60/80/929726080.db2.gz ZTJHGGCCZOKVNA-WIYYLYMNSA-N -1 3 394.471 3.980 20 30 GHEDHM C=CCn1c(=O)[n-]nc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000470821293 930941361 /nfs/dbraw/zinc/94/13/61/930941361.db2.gz MKPOFQLVGRNKKP-UHFFFAOYSA-N -1 3 378.542 3.756 20 30 GHEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000928970080 933182407 /nfs/dbraw/zinc/18/24/07/933182407.db2.gz XUDVVJIPFGTVGM-JTQLQIEISA-N -1 3 398.221 3.953 20 30 GHEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N1CCC(C(C)=O)CC1 ZINC001121489197 934671416 /nfs/dbraw/zinc/67/14/16/934671416.db2.gz HTGVRSYENYLZPY-UHFFFAOYSA-N -1 3 380.492 3.761 20 30 GHEDHM C=CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2cccs2)C1 ZINC001122907535 935025000 /nfs/dbraw/zinc/02/50/00/935025000.db2.gz JXHMXBQMQVVSND-HNNXBMFYSA-N -1 3 396.520 3.651 20 30 GHEDHM C=CCCCOc1c(Br)cc(Br)cc1-c1nnn[n-]1 ZINC001573335692 947485070 /nfs/dbraw/zinc/48/50/70/947485070.db2.gz SSGDDOQXFZJBCU-UHFFFAOYSA-N -1 3 388.063 3.737 20 30 GHEDHM C=CCCCOc1c(Br)cc(Br)cc1-c1nn[n-]n1 ZINC001573335692 947485080 /nfs/dbraw/zinc/48/50/80/947485080.db2.gz SSGDDOQXFZJBCU-UHFFFAOYSA-N -1 3 388.063 3.737 20 30 GHEDHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000470845827 1016909251 /nfs/dbraw/zinc/90/92/51/1016909251.db2.gz WTTJMZDDPCXAGK-UHFFFAOYSA-N -1 3 377.444 3.790 20 30 GHEDHM N#Cc1ccc2[n-]c(C(=O)NCc3ccc(Oc4ccccn4)cc3)cc(=O)c2c1 ZINC001154560951 1032182956 /nfs/dbraw/zinc/18/29/56/1032182956.db2.gz SXERHQVHIBPMFF-UHFFFAOYSA-N -1 3 396.406 3.517 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(Br)c1OC ZINC000560230247 1017577419 /nfs/dbraw/zinc/57/74/19/1017577419.db2.gz CKPBYQNCDPESPN-JTQLQIEISA-N -1 3 381.251 3.721 20 30 GHEDHM COc1cc(C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)cc(OC)c1[O-] ZINC000754275815 1022576587 /nfs/dbraw/zinc/57/65/87/1022576587.db2.gz KCDLGAUKBUTOMQ-UHFFFAOYSA-N -1 3 396.317 3.517 20 30 GHEDHM C#CCC1(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCCCC1 ZINC001156690783 1033186668 /nfs/dbraw/zinc/18/66/68/1033186668.db2.gz SLODMMFPJHLBBB-UHFFFAOYSA-N -1 3 387.277 3.747 20 30 GHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cnc2cc(Br)cnc2c1 ZINC001156688856 1033186759 /nfs/dbraw/zinc/18/67/59/1033186759.db2.gz IQVIPBFMHDOYRX-UHFFFAOYSA-N -1 3 389.159 3.794 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC[C@H](O)c2cc3ccccc3o2)n1 ZINC001162695327 1025880689 /nfs/dbraw/zinc/88/06/89/1025880689.db2.gz LCRWYNXPYUTFEX-MDIIPYEWSA-N -1 3 378.841 3.552 20 30 GHEDHM Cc1cccc(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC001214189604 1028588666 /nfs/dbraw/zinc/58/86/66/1028588666.db2.gz CSCPZKQZAJXRAA-OAHLLOKOSA-N -1 3 389.839 3.942 20 30 GHEDHM [O-]/N=C(\Cl)c1ccccc1C(F)(F)O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001222938797 1030359657 /nfs/dbraw/zinc/35/96/57/1030359657.db2.gz NPSAJGVORLGZLM-RFEGZPJRSA-N -1 3 388.842 3.771 20 30 GHEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CNCCC2(F)F)c1 ZINC001218453505 1030941985 /nfs/dbraw/zinc/94/19/85/1030941985.db2.gz WNTVEKUURILNEB-IHHMQQGQSA-N -1 3 389.398 3.673 20 30 GHEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)[n-]1 ZINC001225468171 1031428385 /nfs/dbraw/zinc/42/83/85/1031428385.db2.gz LTMCZAYVPUPITI-SFHVURJKSA-N -1 3 381.432 3.838 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc2ccc(Br)cn2n1 ZINC001153128352 1031474842 /nfs/dbraw/zinc/47/48/42/1031474842.db2.gz SZADUNPAPNNYFG-UHFFFAOYSA-N -1 3 381.189 3.967 20 30 GHEDHM C[C@H](c1ccccn1)N1CCC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226066647 1031768193 /nfs/dbraw/zinc/76/81/93/1031768193.db2.gz CLUZIRDGKRQYDR-OLZOCXBDSA-N -1 3 392.381 3.677 20 30 GHEDHM CCOC(=O)C[C@@H](CC#N)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229808340 1033731631 /nfs/dbraw/zinc/73/16/31/1033731631.db2.gz PRPFGVSHZGBJKK-OAHLLOKOSA-N -1 3 385.416 3.679 20 30 GHEDHM C[C@H](NCc1cccc(F)c1OCC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001207665681 1034517405 /nfs/dbraw/zinc/51/74/05/1034517405.db2.gz OTPSYYVEDAPYQX-ZETCQYMHSA-N -1 3 386.271 3.755 20 30 GHEDHM COc1cc(C(C)=O)ccc1OCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC001161842304 1035313671 /nfs/dbraw/zinc/31/36/71/1035313671.db2.gz AEXSSDREAUHNRT-UHFFFAOYSA-N -1 3 375.396 3.614 20 30 GHEDHM COc1ccc(F)c(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)c1OC ZINC001244592611 1036554354 /nfs/dbraw/zinc/55/43/54/1036554354.db2.gz VMEAVLAOBPYMEX-UFFVCSGVSA-N -1 3 375.400 3.698 20 30 GHEDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCC[C@H](C#N)C3)c2)nc1C ZINC001232453333 1038235803 /nfs/dbraw/zinc/23/58/03/1038235803.db2.gz GTGRIOOIWCPZEX-CQSZACIVSA-N -1 3 385.489 3.736 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(C#N)ccc2[O-])C[C@H]1C(F)(F)F ZINC001232677332 1038476603 /nfs/dbraw/zinc/47/66/03/1038476603.db2.gz AYGMVZLDUMRJAI-HUUCEWRRSA-N -1 3 399.413 3.541 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001233799048 1039623477 /nfs/dbraw/zinc/62/34/77/1039623477.db2.gz DPUDXQDALHNTIX-KSOUTMPYSA-N -1 3 378.469 3.918 20 30 GHEDHM C#C[C@@H](Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O)c1ccncc1 ZINC001234131240 1039868844 /nfs/dbraw/zinc/86/88/44/1039868844.db2.gz NECVWQGUEJEMBS-GOSISDBHSA-N -1 3 399.402 3.633 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC001258283242 1044489913 /nfs/dbraw/zinc/48/99/13/1044489913.db2.gz MLAVSYZYOINSSW-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM CC(C)Oc1ccc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])cc1C#N ZINC001295233688 1044960186 /nfs/dbraw/zinc/96/01/86/1044960186.db2.gz BNILSLZFAKZORA-UHFFFAOYSA-N -1 3 383.354 3.717 20 30 GHEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001260888267 1045743427 /nfs/dbraw/zinc/74/34/27/1045743427.db2.gz RVZWZYCTTQHZIT-GFCCVEGCSA-N -1 3 399.232 3.829 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1Cl ZINC001260890450 1045744651 /nfs/dbraw/zinc/74/46/51/1045744651.db2.gz CEPAHVLKTBKHKK-UHFFFAOYSA-N -1 3 375.759 3.567 20 30 GHEDHM O=S(=O)([N-][C@H](C1CCC1)C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC001261021105 1045847386 /nfs/dbraw/zinc/84/73/86/1045847386.db2.gz BELPCIWBLPBSAK-LLVKDONJSA-N -1 3 379.297 3.854 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001301265897 1046437876 /nfs/dbraw/zinc/43/78/76/1046437876.db2.gz LTOAEQLXLRPFJI-HNNXBMFYSA-N -1 3 385.197 3.807 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cnn1CCC(C)C ZINC001263332660 1046717885 /nfs/dbraw/zinc/71/78/85/1046717885.db2.gz VQDHDMVEIGWECR-LJQANCHMSA-N -1 3 375.476 3.973 20 30 GHEDHM Cc1cc(C(F)(F)F)nn1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306892153 1048947897 /nfs/dbraw/zinc/94/78/97/1048947897.db2.gz AZAHGTIIECEFBY-UHFFFAOYSA-N -1 3 382.169 3.935 20 30 GHEDHM O=C(OCc1ccccc1)N1CC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001306893864 1048948774 /nfs/dbraw/zinc/94/87/74/1048948774.db2.gz AVKKSODDVIBYFT-KRWDZBQOSA-N -1 3 388.851 3.717 20 30 GHEDHM O=C(Cc1csc(NC(=O)c2ccco2)n1)N([O-])CCCCc1ccccc1 ZINC001306896250 1048949652 /nfs/dbraw/zinc/94/96/52/1048949652.db2.gz PDVMDQIVXFQDMC-UHFFFAOYSA-N -1 3 399.472 3.772 20 30 GHEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001309463022 1050738575 /nfs/dbraw/zinc/73/85/75/1050738575.db2.gz VDSQWTCIMCHRGC-KRWDZBQOSA-N -1 3 381.482 3.648 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn(C2CCC2)c1 ZINC001343510823 1053827965 /nfs/dbraw/zinc/82/79/65/1053827965.db2.gz VKHCKZCRRJUHMK-ZDUSSCGKSA-N -1 3 377.231 3.876 20 30 GHEDHM COC[C@@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=C1CCCCC1 ZINC001317760511 1054249695 /nfs/dbraw/zinc/24/96/95/1054249695.db2.gz CTWHHLAKIRJESN-CYBMUJFWSA-N -1 3 375.494 3.732 20 30 GHEDHM COc1ccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)cc1 ZINC001317771647 1054252767 /nfs/dbraw/zinc/25/27/67/1054252767.db2.gz QTPRSRMCTQBLDQ-UHFFFAOYSA-N -1 3 381.457 3.582 20 30 GHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3ncc(C(N)=O)cc3Cl)c(C#N)c2[C@@H]1C ZINC001344968628 1054830633 /nfs/dbraw/zinc/83/06/33/1054830633.db2.gz CDUBPSVPDJFTPU-RKDXNWHRSA-N -1 3 388.880 3.705 20 30 GHEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC001320259607 1055728532 /nfs/dbraw/zinc/72/85/32/1055728532.db2.gz STIXOQWIUPAOAI-UHFFFAOYSA-N -1 3 387.358 3.700 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1c[nH]c2cc(C)ccc12 ZINC001321784447 1056396349 /nfs/dbraw/zinc/39/63/49/1056396349.db2.gz YRPHNQUKYWIFMD-UHFFFAOYSA-N -1 3 378.457 3.830 20 30 GHEDHM CC(=O)c1cccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1[O-] ZINC000848073458 1056552754 /nfs/dbraw/zinc/55/27/54/1056552754.db2.gz ZBIFIBMJMPJFTE-INIZCTEOSA-N -1 3 389.452 3.511 20 30 GHEDHM COc1ccc([C@H](/N=C2/[N-]S(=O)(=O)c3ccccc32)c2ccc(F)cc2)cc1 ZINC001322537623 1056748042 /nfs/dbraw/zinc/74/80/42/1056748042.db2.gz WZTSQOVPVNKHPH-HXUWFJFHSA-N -1 3 396.443 3.662 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC001339067454 1058946114 /nfs/dbraw/zinc/94/61/14/1058946114.db2.gz BKXDJIPKUKLQCJ-QAPCUYQASA-N -1 3 390.491 3.565 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)CSc1ccccc1 ZINC001339198544 1059006217 /nfs/dbraw/zinc/00/62/17/1059006217.db2.gz YNHQFFNRMJRWOV-AWEZNQCLSA-N -1 3 396.520 3.552 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001450266402 1060566580 /nfs/dbraw/zinc/56/65/80/1060566580.db2.gz FYUYEMDVTZYIDH-SFHVURJKSA-N -1 3 395.846 3.665 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC4(C[C@H]3C)CCOCC4)n2C)c1[O-] ZINC001341828143 1060913480 /nfs/dbraw/zinc/91/34/80/1060913480.db2.gz RACDPRZTIVTNEC-MRXNPFEDSA-N -1 3 382.508 3.702 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001341956043 1060968389 /nfs/dbraw/zinc/96/83/89/1060968389.db2.gz UGAPTCNRYBJSBN-RISCZKNCSA-N -1 3 392.381 3.914 20 30 GHEDHM C=CCCCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001342269391 1061191750 /nfs/dbraw/zinc/19/17/50/1061191750.db2.gz JGCLPUJEZZAVTC-UHFFFAOYSA-N -1 3 378.480 3.590 20 30 GHEDHM CCN(CC)c1ccc2cc(C(=O)N([O-])Cc3ccc(F)cc3)c(=O)oc2c1 ZINC001458027260 1063512710 /nfs/dbraw/zinc/51/27/10/1063512710.db2.gz NABZZWSCYAZIQR-UHFFFAOYSA-N -1 3 384.407 3.810 20 30 GHEDHM Cc1cc(F)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(F)c1 ZINC001464633191 1065123387 /nfs/dbraw/zinc/12/33/87/1065123387.db2.gz MGXWMANEWMJLCU-UHFFFAOYSA-N -1 3 390.333 3.642 20 30 GHEDHM N#Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[O-])cc1Br ZINC001466629437 1066222241 /nfs/dbraw/zinc/22/22/41/1066222241.db2.gz GZMGOQONNYXQDX-UHFFFAOYSA-N -1 3 381.613 3.697 20 30 GHEDHM COc1cccc(SCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000849662599 1067930769 /nfs/dbraw/zinc/93/07/69/1067930769.db2.gz IENOAKLMQVEXKP-UHFFFAOYSA-N -1 3 386.473 3.552 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(F)c1OC(F)F ZINC000849663742 1067931411 /nfs/dbraw/zinc/93/14/11/1067931411.db2.gz XIOIBYGPTJHLDG-UHFFFAOYSA-N -1 3 394.349 3.692 20 30 GHEDHM C=CC(C)(C)CCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001470454620 1072562618 /nfs/dbraw/zinc/56/26/18/1072562618.db2.gz VTESQSYMGUOVEK-HXUWFJFHSA-N -1 3 380.488 3.972 20 30 GHEDHM CCOc1ccc(N2C[C@H](C(=O)N([O-])CCCCc3ccccc3)CC2=O)cc1 ZINC001472620075 1073581176 /nfs/dbraw/zinc/58/11/76/1073581176.db2.gz NTNBBHOVRURNNA-LJQANCHMSA-N -1 3 396.487 3.679 20 30 GHEDHM COc1c([O-])ccc(CNc2ccc(OC(F)(F)F)c(C#N)c2)c1[N+](=O)[O-] ZINC001474474106 1074422547 /nfs/dbraw/zinc/42/25/47/1074422547.db2.gz BYXSLOUEJCUNMW-UHFFFAOYSA-N -1 3 383.282 3.691 20 30 GHEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001475102184 1074737619 /nfs/dbraw/zinc/73/76/19/1074737619.db2.gz CVGKAXFKFGEUDI-LLVKDONJSA-N -1 3 378.372 3.731 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2COc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737709292 598916996 /nfs/dbraw/zinc/91/69/96/598916996.db2.gz MOJYGVRQWPBVBE-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2COc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737709292 598916997 /nfs/dbraw/zinc/91/69/97/598916997.db2.gz MOJYGVRQWPBVBE-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM COc1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000737083792 599127473 /nfs/dbraw/zinc/12/74/73/599127473.db2.gz VQIJJUGYIRICMC-UHFFFAOYSA-N -1 3 379.811 3.523 20 30 GHEDHM COc1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000737083792 599127476 /nfs/dbraw/zinc/12/74/76/599127476.db2.gz VQIJJUGYIRICMC-UHFFFAOYSA-N -1 3 379.811 3.523 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000735419945 599146824 /nfs/dbraw/zinc/14/68/24/599146824.db2.gz KUWIFJFZNXVCEA-IAGOWNOFSA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000735419945 599146826 /nfs/dbraw/zinc/14/68/26/599146826.db2.gz KUWIFJFZNXVCEA-IAGOWNOFSA-N -1 3 382.512 3.781 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000737080757 599150840 /nfs/dbraw/zinc/15/08/40/599150840.db2.gz HGUQNUHVUTWQGV-FNORWQNLSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000737080757 599150843 /nfs/dbraw/zinc/15/08/43/599150843.db2.gz HGUQNUHVUTWQGV-FNORWQNLSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(C=C2CCc3[nH]c4ccc(F)cc4c3C2=O)cc1-c1nnn[n-]1 ZINC000737083058 599156122 /nfs/dbraw/zinc/15/61/22/599156122.db2.gz MXJAIGDWZSQIAU-XYOKQWHBSA-N -1 3 389.390 3.708 20 30 GHEDHM COc1ccc(C=C2CCc3[nH]c4ccc(F)cc4c3C2=O)cc1-c1nn[n-]n1 ZINC000737083058 599156126 /nfs/dbraw/zinc/15/61/26/599156126.db2.gz MXJAIGDWZSQIAU-XYOKQWHBSA-N -1 3 389.390 3.708 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(F)c2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203700 599157357 /nfs/dbraw/zinc/15/73/57/599157357.db2.gz VPCJSFYSLKHPOS-JXMROGBWSA-N -1 3 392.369 3.535 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(F)c2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203702 599157397 /nfs/dbraw/zinc/15/73/97/599157397.db2.gz VPCJSFYSLKHPOS-YFHOEESVSA-N -1 3 392.369 3.535 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000735418440 599159757 /nfs/dbraw/zinc/15/97/57/599159757.db2.gz DZYXHRXZNPURCT-OAHLLOKOSA-N -1 3 379.439 3.714 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000735418440 599159760 /nfs/dbraw/zinc/15/97/60/599159760.db2.gz DZYXHRXZNPURCT-OAHLLOKOSA-N -1 3 379.439 3.714 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1ccccc1C ZINC000735418662 599159777 /nfs/dbraw/zinc/15/97/77/599159777.db2.gz HYNYNBWSKLGORM-KRWDZBQOSA-N -1 3 375.476 3.884 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1ccccc1C ZINC000735418662 599159779 /nfs/dbraw/zinc/15/97/79/599159779.db2.gz HYNYNBWSKLGORM-KRWDZBQOSA-N -1 3 375.476 3.884 20 30 GHEDHM COc1ccc2sc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c(C)c2c1 ZINC000737120357 599191930 /nfs/dbraw/zinc/19/19/30/599191930.db2.gz MKINGRVCUHOYLV-UHFFFAOYSA-N -1 3 390.428 3.522 20 30 GHEDHM COc1ccc2sc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c(C)c2c1 ZINC000737120357 599191933 /nfs/dbraw/zinc/19/19/33/599191933.db2.gz MKINGRVCUHOYLV-UHFFFAOYSA-N -1 3 390.428 3.522 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716196 599195502 /nfs/dbraw/zinc/19/55/02/599195502.db2.gz MBJJKWAAEWJDCB-ZBFHGGJFSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716196 599195505 /nfs/dbraw/zinc/19/55/05/599195505.db2.gz MBJJKWAAEWJDCB-ZBFHGGJFSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737716530 599195522 /nfs/dbraw/zinc/19/55/22/599195522.db2.gz RKSQJAHVFYSGNB-ICSRJNTNSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737716530 599195523 /nfs/dbraw/zinc/19/55/23/599195523.db2.gz RKSQJAHVFYSGNB-ICSRJNTNSA-N -1 3 380.411 3.634 20 30 GHEDHM CC(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)(c1ccccc1)c1ccccc1 ZINC000735550781 599195666 /nfs/dbraw/zinc/19/56/66/599195666.db2.gz LFEMEHLGLNEOFR-UHFFFAOYSA-N -1 3 394.438 3.683 20 30 GHEDHM CC(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)(c1ccccc1)c1ccccc1 ZINC000735550781 599195669 /nfs/dbraw/zinc/19/56/69/599195669.db2.gz LFEMEHLGLNEOFR-UHFFFAOYSA-N -1 3 394.438 3.683 20 30 GHEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735505259 599198783 /nfs/dbraw/zinc/19/87/83/599198783.db2.gz PUFHMOQFBHVRTB-GFCCVEGCSA-N -1 3 396.838 3.544 20 30 GHEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735505259 599198786 /nfs/dbraw/zinc/19/87/86/599198786.db2.gz PUFHMOQFBHVRTB-GFCCVEGCSA-N -1 3 396.838 3.544 20 30 GHEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735689936 599201160 /nfs/dbraw/zinc/20/11/60/599201160.db2.gz FGDZFVZPYGHIQT-INIZCTEOSA-N -1 3 396.838 3.590 20 30 GHEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735689936 599201161 /nfs/dbraw/zinc/20/11/61/599201161.db2.gz FGDZFVZPYGHIQT-INIZCTEOSA-N -1 3 396.838 3.590 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc2c1=O ZINC000735443070 599286676 /nfs/dbraw/zinc/28/66/76/599286676.db2.gz OORPJJVSMIOIRR-CYBMUJFWSA-N -1 3 390.472 3.616 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc2c1=O ZINC000735443070 599286678 /nfs/dbraw/zinc/28/66/78/599286678.db2.gz OORPJJVSMIOIRR-CYBMUJFWSA-N -1 3 390.472 3.616 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000735450971 598315354 /nfs/dbraw/zinc/31/53/54/598315354.db2.gz LOWBKRYVLMTEIA-UHFFFAOYSA-N -1 3 391.313 3.630 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000735450971 598315355 /nfs/dbraw/zinc/31/53/55/598315355.db2.gz LOWBKRYVLMTEIA-UHFFFAOYSA-N -1 3 391.313 3.630 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735506285 598503303 /nfs/dbraw/zinc/50/33/03/598503303.db2.gz UYJYYWLVHCWVMJ-AWEZNQCLSA-N -1 3 380.477 3.609 20 30 GHEDHM C=CCN(Cc1csc(-c2ccoc2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425664 598505309 /nfs/dbraw/zinc/50/53/09/598505309.db2.gz DKLWYBOSUHSLQG-UHFFFAOYSA-N -1 3 378.461 3.771 20 30 GHEDHM C=CCN(Cc1csc(-c2ccoc2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425664 598505311 /nfs/dbraw/zinc/50/53/11/598505311.db2.gz DKLWYBOSUHSLQG-UHFFFAOYSA-N -1 3 378.461 3.771 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000737674226 598536834 /nfs/dbraw/zinc/53/68/34/598536834.db2.gz GZDVUYVDZJHMAS-CDNLZTBQSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000737674226 598536836 /nfs/dbraw/zinc/53/68/36/598536836.db2.gz GZDVUYVDZJHMAS-CDNLZTBQSA-N -1 3 399.241 3.568 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc2)c1 ZINC000737730114 598555617 /nfs/dbraw/zinc/55/56/17/598555617.db2.gz GGSPRZVGEYBWCC-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc2)c1 ZINC000737730114 598555619 /nfs/dbraw/zinc/55/56/19/598555619.db2.gz GGSPRZVGEYBWCC-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(c2ccccc2)CCCC1 ZINC000735418973 598655675 /nfs/dbraw/zinc/65/56/75/598655675.db2.gz NFBKLHWDFQTYKC-UHFFFAOYSA-N -1 3 387.487 3.893 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(c2ccccc2)CCCC1 ZINC000735418973 598655677 /nfs/dbraw/zinc/65/56/77/598655677.db2.gz NFBKLHWDFQTYKC-UHFFFAOYSA-N -1 3 387.487 3.893 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NCCCCC#N ZINC000737280310 598782495 /nfs/dbraw/zinc/78/24/95/598782495.db2.gz PNCIDDCHHFUAPE-UHFFFAOYSA-N -1 3 391.435 3.783 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)NCCCCC#N ZINC000737280310 598782496 /nfs/dbraw/zinc/78/24/96/598782496.db2.gz PNCIDDCHHFUAPE-UHFFFAOYSA-N -1 3 391.435 3.783 20 30 GHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819729513 599298420 /nfs/dbraw/zinc/29/84/20/599298420.db2.gz IFHQLRDEWCYKJF-GFCCVEGCSA-N -1 3 382.399 3.884 20 30 GHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819729513 599298422 /nfs/dbraw/zinc/29/84/22/599298422.db2.gz IFHQLRDEWCYKJF-GFCCVEGCSA-N -1 3 382.399 3.884 20 30 GHEDHM CCCCCCCCCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736448946 599298673 /nfs/dbraw/zinc/29/86/73/599298673.db2.gz RCPNPJOCZLYZGF-UHFFFAOYSA-N -1 3 377.518 3.638 20 30 GHEDHM CCCCCCCCCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736448946 599298674 /nfs/dbraw/zinc/29/86/74/599298674.db2.gz RCPNPJOCZLYZGF-UHFFFAOYSA-N -1 3 377.518 3.638 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000819745488 599342115 /nfs/dbraw/zinc/34/21/15/599342115.db2.gz GBBWSNDGSQPQNW-ZDUSSCGKSA-N -1 3 385.518 3.624 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000819745488 599342118 /nfs/dbraw/zinc/34/21/18/599342118.db2.gz GBBWSNDGSQPQNW-ZDUSSCGKSA-N -1 3 385.518 3.624 20 30 GHEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1S[C@H](C)CC#N ZINC000821736099 607371371 /nfs/dbraw/zinc/37/13/71/607371371.db2.gz BBXYOGOKBIDQKX-CYBMUJFWSA-N -1 3 380.477 3.882 20 30 GHEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1S[C@H](C)CC#N ZINC000821736099 607371372 /nfs/dbraw/zinc/37/13/72/607371372.db2.gz BBXYOGOKBIDQKX-CYBMUJFWSA-N -1 3 380.477 3.882 20 30 GHEDHM N#CCC[C@@H](C#N)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822806309 599387213 /nfs/dbraw/zinc/38/72/13/599387213.db2.gz LSMIDNAIPMNTID-ZDUSSCGKSA-N -1 3 377.383 3.654 20 30 GHEDHM N#CCC[C@@H](C#N)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822806309 599387216 /nfs/dbraw/zinc/38/72/16/599387216.db2.gz LSMIDNAIPMNTID-ZDUSSCGKSA-N -1 3 377.383 3.654 20 30 GHEDHM C=CCc1cc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000735442590 599421805 /nfs/dbraw/zinc/42/18/05/599421805.db2.gz HVOQYJGBBNQPMX-UHFFFAOYSA-N -1 3 385.855 3.878 20 30 GHEDHM C=CCc1cc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000735442590 599421807 /nfs/dbraw/zinc/42/18/07/599421807.db2.gz HVOQYJGBBNQPMX-UHFFFAOYSA-N -1 3 385.855 3.878 20 30 GHEDHM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733851 607390323 /nfs/dbraw/zinc/39/03/23/607390323.db2.gz CPMNQHGKMDKIKY-HNAYVOBHSA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733851 607390325 /nfs/dbraw/zinc/39/03/25/607390325.db2.gz CPMNQHGKMDKIKY-HNAYVOBHSA-N -1 3 376.464 3.934 20 30 GHEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832226313 601298515 /nfs/dbraw/zinc/29/85/15/601298515.db2.gz MTIIVKLLFKNVTP-GTNSWQLSSA-N -1 3 389.249 3.806 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC000832971913 601656157 /nfs/dbraw/zinc/65/61/57/601656157.db2.gz ZOGKQNUFOBQPHR-PGRDOPGGSA-N -1 3 393.487 3.602 20 30 GHEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000826045011 601868869 /nfs/dbraw/zinc/86/88/69/601868869.db2.gz OLQHYSNBSVCDGZ-YWZLYKJASA-N -1 3 399.878 3.638 20 30 GHEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821170768 606262304 /nfs/dbraw/zinc/26/23/04/606262304.db2.gz WFDCXNULNLLACW-AWEZNQCLSA-N -1 3 392.488 3.640 20 30 GHEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821170768 606262305 /nfs/dbraw/zinc/26/23/05/606262305.db2.gz WFDCXNULNLLACW-AWEZNQCLSA-N -1 3 392.488 3.640 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000822923338 606306445 /nfs/dbraw/zinc/30/64/45/606306445.db2.gz PZXNGURYXJJKIJ-AATRIKPKSA-N -1 3 380.351 3.765 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000822923338 606306446 /nfs/dbraw/zinc/30/64/46/606306446.db2.gz PZXNGURYXJJKIJ-AATRIKPKSA-N -1 3 380.351 3.765 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)c(Br)c1 ZINC000822922221 606389479 /nfs/dbraw/zinc/38/94/79/606389479.db2.gz DQDJILCUJRCWCA-DJWKRKHSSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCCCC2)c(F)c1 ZINC000822923300 606390031 /nfs/dbraw/zinc/39/00/31/606390031.db2.gz POOSKIYVWHDJNZ-VMPITWQZSA-N -1 3 383.452 3.954 20 30 GHEDHM N#Cc1csc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000822845694 606508321 /nfs/dbraw/zinc/50/83/21/606508321.db2.gz DIXKKVROEYTFOU-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1csc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822845694 606508323 /nfs/dbraw/zinc/50/83/23/606508323.db2.gz DIXKKVROEYTFOU-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccncc3)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505146 606600523 /nfs/dbraw/zinc/60/05/23/606600523.db2.gz XXDMJSHWHKALLT-GXDHUFHOSA-N -1 3 386.440 3.598 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccncc3)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505146 606600524 /nfs/dbraw/zinc/60/05/24/606600524.db2.gz XXDMJSHWHKALLT-GXDHUFHOSA-N -1 3 386.440 3.598 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCc2csc3ccccc23)cc1-c1nnn[n-]1 ZINC000822829959 606681279 /nfs/dbraw/zinc/68/12/79/606681279.db2.gz QWKTWKXNNICWKA-UHFFFAOYSA-N -1 3 388.456 3.914 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCc2csc3ccccc23)cc1-c1nn[n-]n1 ZINC000822829959 606681280 /nfs/dbraw/zinc/68/12/80/606681280.db2.gz QWKTWKXNNICWKA-UHFFFAOYSA-N -1 3 388.456 3.914 20 30 GHEDHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820512958 606867375 /nfs/dbraw/zinc/86/73/75/606867375.db2.gz QRZBZNAGQKEFOX-JTQLQIEISA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820512958 606867376 /nfs/dbraw/zinc/86/73/76/606867376.db2.gz QRZBZNAGQKEFOX-JTQLQIEISA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@@H]1CC[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820683640 607094914 /nfs/dbraw/zinc/09/49/14/607094914.db2.gz FDYXKIPGLMWCSU-IOASZLSFSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CC[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820683640 607094915 /nfs/dbraw/zinc/09/49/15/607094915.db2.gz FDYXKIPGLMWCSU-IOASZLSFSA-N -1 3 392.488 3.993 20 30 GHEDHM N#CCc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826382337 608002720 /nfs/dbraw/zinc/00/27/20/608002720.db2.gz ZGVXUABHUJPXIA-UHFFFAOYSA-N -1 3 394.438 3.780 20 30 GHEDHM N#CCc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826382337 608002721 /nfs/dbraw/zinc/00/27/21/608002721.db2.gz ZGVXUABHUJPXIA-UHFFFAOYSA-N -1 3 394.438 3.780 20 30 GHEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000824737314 608349670 /nfs/dbraw/zinc/34/96/70/608349670.db2.gz FBCHZQWRESFMJJ-LLVKDONJSA-N -1 3 396.476 3.503 20 30 GHEDHM N#Cc1ccc(CSCc2cccc(-c3nnn[n-]3)c2F)c(OC(F)F)c1 ZINC000826384903 608405692 /nfs/dbraw/zinc/40/56/92/608405692.db2.gz OORJIZLYXRAXTP-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1ccc(CSCc2cccc(-c3nn[n-]n3)c2F)c(OC(F)F)c1 ZINC000826384903 608405693 /nfs/dbraw/zinc/40/56/93/608405693.db2.gz OORJIZLYXRAXTP-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(OC(F)F)cc1C ZINC000826266615 608537615 /nfs/dbraw/zinc/53/76/15/608537615.db2.gz VTPLGPHBJBVTNG-UHFFFAOYSA-N -1 3 393.785 3.579 20 30 GHEDHM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(OC(F)F)cc1C ZINC000826266615 608537617 /nfs/dbraw/zinc/53/76/17/608537617.db2.gz VTPLGPHBJBVTNG-UHFFFAOYSA-N -1 3 393.785 3.579 20 30 GHEDHM N#Cc1cccc(COc2cccc(CNc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826386789 608869639 /nfs/dbraw/zinc/86/96/39/608869639.db2.gz STOQQOXSESZCIP-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962113 609157712 /nfs/dbraw/zinc/15/77/12/609157712.db2.gz FNPVSDNZQOGSMX-UHFFFAOYSA-N -1 3 379.424 3.965 20 30 GHEDHM CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962113 609157713 /nfs/dbraw/zinc/15/77/13/609157713.db2.gz FNPVSDNZQOGSMX-UHFFFAOYSA-N -1 3 379.424 3.965 20 30 GHEDHM CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825268362 609267933 /nfs/dbraw/zinc/26/79/33/609267933.db2.gz UCYXNUPLLZGMIG-CRAIPNDOSA-N -1 3 386.500 3.747 20 30 GHEDHM CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825268362 609267935 /nfs/dbraw/zinc/26/79/35/609267935.db2.gz UCYXNUPLLZGMIG-CRAIPNDOSA-N -1 3 386.500 3.747 20 30 GHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400832 609271035 /nfs/dbraw/zinc/27/10/35/609271035.db2.gz JKSITHSDLLAGGR-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400832 609271037 /nfs/dbraw/zinc/27/10/37/609271037.db2.gz JKSITHSDLLAGGR-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000824347862 609271183 /nfs/dbraw/zinc/27/11/83/609271183.db2.gz PVDLQSTUZDBVEK-XBXARRHUSA-N -1 3 381.367 3.934 20 30 GHEDHM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000824347862 609271185 /nfs/dbraw/zinc/27/11/85/609271185.db2.gz PVDLQSTUZDBVEK-XBXARRHUSA-N -1 3 381.367 3.934 20 30 GHEDHM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403515 609271418 /nfs/dbraw/zinc/27/14/18/609271418.db2.gz UOSOFLUOEZDRPG-VURMDHGXSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403515 609271419 /nfs/dbraw/zinc/27/14/19/609271419.db2.gz UOSOFLUOEZDRPG-VURMDHGXSA-N -1 3 378.285 3.801 20 30 GHEDHM CC(=NNc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962629 609275799 /nfs/dbraw/zinc/27/57/99/609275799.db2.gz NNQDDAYSYSFARH-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962629 609275801 /nfs/dbraw/zinc/27/58/01/609275801.db2.gz NNQDDAYSYSFARH-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM C=C(C)CN(C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823872857 609347337 /nfs/dbraw/zinc/34/73/37/609347337.db2.gz FHEXVMUKAXMQCT-UHFFFAOYSA-N -1 3 383.839 3.961 20 30 GHEDHM C=C(C)CN(C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823872857 609347338 /nfs/dbraw/zinc/34/73/38/609347338.db2.gz FHEXVMUKAXMQCT-UHFFFAOYSA-N -1 3 383.839 3.961 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnn(-c2ccccc2)c1C ZINC000823958145 609470106 /nfs/dbraw/zinc/47/01/06/609470106.db2.gz FBORWRSDZVCZOU-UHFFFAOYSA-N -1 3 392.854 3.850 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnn(-c2ccccc2)c1C ZINC000823958145 609470108 /nfs/dbraw/zinc/47/01/08/609470108.db2.gz FBORWRSDZVCZOU-UHFFFAOYSA-N -1 3 392.854 3.850 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(Cl)nc2sccn21 ZINC000823958668 609470886 /nfs/dbraw/zinc/47/08/86/609470886.db2.gz UVPVFVVLPXSKAU-UHFFFAOYSA-N -1 3 393.263 3.719 20 30 GHEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Cl)c1 ZINC000826498504 609474582 /nfs/dbraw/zinc/47/45/82/609474582.db2.gz XZLVEOWUKUHDRD-UHFFFAOYSA-N -1 3 378.179 3.528 20 30 GHEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(Cl)c1 ZINC000826498504 609474584 /nfs/dbraw/zinc/47/45/84/609474584.db2.gz XZLVEOWUKUHDRD-UHFFFAOYSA-N -1 3 378.179 3.528 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2ccc(F)cc2)nc1)c1nnc2n1CCCCC2 ZINC000659053394 837397999 /nfs/dbraw/zinc/39/79/99/837397999.db2.gz PVMFCQQTGCWORT-QGZVFWFLSA-N -1 3 391.406 3.821 20 30 GHEDHM Cc1cc(C(C#N)=C([O-])c2cc([N+](=O)[O-])cc(Br)c2C)nc(C)n1 ZINC000564718966 834568006 /nfs/dbraw/zinc/56/80/06/834568006.db2.gz YPDXBWPKXSFQMX-ZDUSSCGKSA-N -1 3 389.209 3.563 20 30 GHEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(COc3ccccc3F)on1)CCCC2 ZINC000187132283 835024106 /nfs/dbraw/zinc/02/41/06/835024106.db2.gz XKJJNODIQCPMKR-UHFFFAOYSA-N -1 3 392.390 3.790 20 30 GHEDHM C#C[C@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000890653934 835790749 /nfs/dbraw/zinc/79/07/49/835790749.db2.gz VLHCMUKJYZKAGX-NSHDSACASA-N -1 3 393.668 3.572 20 30 GHEDHM N#Cc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1[O-] ZINC000189006730 838056259 /nfs/dbraw/zinc/05/62/59/838056259.db2.gz ZRLROEJKGXMAMS-UHFFFAOYSA-N -1 3 395.462 3.792 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278820445 838062958 /nfs/dbraw/zinc/06/29/58/838062958.db2.gz TYEFXLQENWROQD-JTQLQIEISA-N -1 3 398.410 3.561 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)c1 ZINC000066906733 842084278 /nfs/dbraw/zinc/08/42/78/842084278.db2.gz JIQWHCRNMNCWHN-UHFFFAOYSA-N -1 3 398.378 3.878 20 30 GHEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000171036917 861289507 /nfs/dbraw/zinc/28/95/07/861289507.db2.gz WRPOAPLPLQXBIR-LBPRGKRZSA-N -1 3 377.828 3.947 20 30 GHEDHM CSc1nn(-c2ccccc2)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1C#N ZINC000125682218 842694126 /nfs/dbraw/zinc/69/41/26/842694126.db2.gz GGIMGXNGAAFGGP-UHFFFAOYSA-N -1 3 385.430 3.688 20 30 GHEDHM Cc1ccc([C@@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c(C)c1 ZINC000279703267 843244330 /nfs/dbraw/zinc/24/43/30/843244330.db2.gz PAECNEXTRKYMSK-GOSISDBHSA-N -1 3 377.488 3.841 20 30 GHEDHM CN(C)C(=O)c1cccc(CC/N=C\c2cc(Br)ccc2[O-])c1 ZINC000255459696 845784065 /nfs/dbraw/zinc/78/40/65/845784065.db2.gz NJOMFBJYYFLYLT-NDENLUEZSA-N -1 3 375.266 3.518 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3F)oc2C)cc1 ZINC000121786145 846763883 /nfs/dbraw/zinc/76/38/83/846763883.db2.gz PZUXSZPCLVURKW-MRXNPFEDSA-N -1 3 393.374 3.759 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(CC)(CC)CC2)ccc1F ZINC001128543519 861768941 /nfs/dbraw/zinc/76/89/41/861768941.db2.gz QAOZFGDCMWURSK-UHFFFAOYSA-N -1 3 396.528 3.769 20 30 GHEDHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1)OC ZINC000421158896 847793626 /nfs/dbraw/zinc/79/36/26/847793626.db2.gz SOEUBSASIWKQBH-HNNXBMFYSA-N -1 3 378.425 3.656 20 30 GHEDHM C=CCC1(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCCC1 ZINC000448747081 848705379 /nfs/dbraw/zinc/70/53/79/848705379.db2.gz DMLLPJQILJMZPZ-UHFFFAOYSA-N -1 3 380.510 3.922 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1C(F)(F)F ZINC000435174875 850187626 /nfs/dbraw/zinc/18/76/26/850187626.db2.gz WWSXUNILFNJFMW-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM O=C([N-]C1(C(F)F)CC1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000506697610 850481562 /nfs/dbraw/zinc/48/15/62/850481562.db2.gz IFANZPTVWGFFNY-UHFFFAOYSA-N -1 3 390.230 3.577 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000604487351 862228029 /nfs/dbraw/zinc/22/80/29/862228029.db2.gz NEWRGIULKQNOEN-UHFFFAOYSA-N -1 3 396.878 3.702 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000132976136 862350324 /nfs/dbraw/zinc/35/03/24/862350324.db2.gz SIGPNHJDBQBPAW-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM C=CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000055112646 853647427 /nfs/dbraw/zinc/64/74/27/853647427.db2.gz HMSVQEAETVXUMC-UHFFFAOYSA-N -1 3 382.844 3.504 20 30 GHEDHM C=CC[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000188496572 854719906 /nfs/dbraw/zinc/71/99/06/854719906.db2.gz HFRQZFTZRRTKOD-KRWDZBQOSA-N -1 3 388.489 3.755 20 30 GHEDHM CCCCc1nc2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc2[nH]1 ZINC000109000206 856088569 /nfs/dbraw/zinc/08/85/69/856088569.db2.gz NTHPUJWSCNZMNE-UHFFFAOYSA-N -1 3 391.475 3.654 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c(F)c1 ZINC000172659220 856523741 /nfs/dbraw/zinc/52/37/41/856523741.db2.gz PEQSHOPMVQQVBT-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507886925 856628277 /nfs/dbraw/zinc/62/82/77/856628277.db2.gz IUYDMPFOSYFEFB-UHFFFAOYSA-N -1 3 376.482 3.608 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1F ZINC000427777076 856724752 /nfs/dbraw/zinc/72/47/52/856724752.db2.gz XZTHZWIHEQGVKA-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000428052479 857062831 /nfs/dbraw/zinc/06/28/31/857062831.db2.gz HUDXYZZAQPSMAI-INIZCTEOSA-N -1 3 388.464 3.807 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000151564207 858199473 /nfs/dbraw/zinc/19/94/73/858199473.db2.gz OEMXEKUIYUAKOY-LBPRGKRZSA-N -1 3 387.848 3.906 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(Cl)c([N+](=O)[O-])c1 ZINC000764310965 859382964 /nfs/dbraw/zinc/38/29/64/859382964.db2.gz LHAWAFYORFSKOQ-UHFFFAOYSA-N -1 3 381.131 3.934 20 30 GHEDHM O=[N+]([O-])c1cccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000727058061 859910909 /nfs/dbraw/zinc/91/09/09/859910909.db2.gz DVBOKRYYYWTBGL-UHFFFAOYSA-N -1 3 396.428 3.842 20 30 GHEDHM COc1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(O)c1 ZINC000727058109 859911127 /nfs/dbraw/zinc/91/11/27/859911127.db2.gz GZWYPBUWVOFNGR-UHFFFAOYSA-N -1 3 397.456 3.648 20 30 GHEDHM O=C(c1ccc(Cl)s1)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904175452 860204452 /nfs/dbraw/zinc/20/44/52/860204452.db2.gz QRLOXHXHFCBVJB-UHFFFAOYSA-N -1 3 396.871 3.811 20 30 GHEDHM C=CCc1cc(OCC)ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000060952432 860412294 /nfs/dbraw/zinc/41/22/94/860412294.db2.gz GARKNRAPQKAYIO-UHFFFAOYSA-N -1 3 380.444 3.529 20 30 GHEDHM N#Cc1ccc(C2(NC(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)CCC2)cc1 ZINC000603040885 860452615 /nfs/dbraw/zinc/45/26/15/860452615.db2.gz CPVQMFQZCZDUCP-UHFFFAOYSA-N -1 3 397.788 3.593 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc(Br)c1 ZINC000129963027 860773348 /nfs/dbraw/zinc/77/33/48/860773348.db2.gz KVWLNLYRGYIBBJ-CYBMUJFWSA-N -1 3 391.196 3.558 20 30 GHEDHM O=C(Cc1cccc(C(F)(F)F)n1)[N-]CC(F)(C(F)(F)F)C(F)(F)F ZINC000899520520 860994364 /nfs/dbraw/zinc/99/43/64/860994364.db2.gz IHDTVIGESWXFAQ-UHFFFAOYSA-N -1 3 386.189 3.592 20 30 GHEDHM C#CCOc1ccc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000730429677 861109824 /nfs/dbraw/zinc/10/98/24/861109824.db2.gz MCZYGAJMQAYTHB-INIZCTEOSA-N -1 3 378.428 3.525 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SCC)c2)ccc1F ZINC000733768365 863152601 /nfs/dbraw/zinc/15/26/01/863152601.db2.gz HFNWUZIPLVRLMH-UHFFFAOYSA-N -1 3 394.493 3.654 20 30 GHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cn(-c4ccc(Cl)cc4)nn3)[nH]c21 ZINC000522829121 863507422 /nfs/dbraw/zinc/50/74/22/863507422.db2.gz PTYKYLFJAZHPER-CQSZACIVSA-N -1 3 376.807 3.596 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000063277128 864446363 /nfs/dbraw/zinc/44/63/63/864446363.db2.gz RCWFMOQYYLYSJM-RMKNXTFCSA-N -1 3 379.372 3.606 20 30 GHEDHM Cc1ccc2[nH]cc(C=Nn3c(=S)[n-]nc3[C@H]3COc4ccccc4O3)c2c1 ZINC000735613093 864880931 /nfs/dbraw/zinc/88/09/31/864880931.db2.gz YUEHNBHSNIRGLJ-GOSISDBHSA-N -1 3 391.456 3.751 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccnc(N2CCCCC2)n1 ZINC000740535321 865941161 /nfs/dbraw/zinc/94/11/61/865941161.db2.gz MFJMWAQRVYFTML-GOSISDBHSA-N -1 3 399.454 3.581 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793123143 881930755 /nfs/dbraw/zinc/93/07/55/881930755.db2.gz FRPWUGFYSSYFDK-HNNXBMFYSA-N -1 3 396.809 3.754 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCc2cccnc2)cc1 ZINC000740811997 866029323 /nfs/dbraw/zinc/02/93/23/866029323.db2.gz MJHVTMYXFCFZDK-UHFFFAOYSA-N -1 3 379.441 3.642 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cncc(F)c1 ZINC000737435476 866653013 /nfs/dbraw/zinc/65/30/13/866653013.db2.gz VWXAIYLWTFJMLT-UHFFFAOYSA-N -1 3 384.436 3.858 20 30 GHEDHM CS(=O)(=O)c1cccc(Oc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)c1 ZINC000737440484 866688031 /nfs/dbraw/zinc/68/80/31/866688031.db2.gz KOEBGXFBELYBGX-UHFFFAOYSA-N -1 3 399.424 3.750 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)N=Nc3ncncc3F)cc2)cc1 ZINC000793226273 882023648 /nfs/dbraw/zinc/02/36/48/882023648.db2.gz PMZPICNYABLBSR-UHFFFAOYSA-N -1 3 399.451 3.561 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1C ZINC000479307070 867513762 /nfs/dbraw/zinc/51/37/62/867513762.db2.gz MGSQSXZUKIBZTJ-UHFFFAOYSA-N -1 3 378.453 3.599 20 30 GHEDHM C=CCN1C(=S)N=NC1Cc1csc([N-]c2ncnc3oc(C)c(C)c32)n1 ZINC000163268796 868013941 /nfs/dbraw/zinc/01/39/41/868013941.db2.gz QLBIJGFAPYOXGL-UHFFFAOYSA-N -1 3 399.505 3.697 20 30 GHEDHM CCCC[C@@H](Cc1ccccn1)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000747119560 882200882 /nfs/dbraw/zinc/20/08/82/882200882.db2.gz YPIOLMVQHRBLSM-SFHVURJKSA-N -1 3 381.476 3.948 20 30 GHEDHM C#C[C@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000744179426 868641331 /nfs/dbraw/zinc/64/13/31/868641331.db2.gz CLLLIOXWCBFASM-LBPRGKRZSA-N -1 3 395.839 3.767 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000479907216 868708147 /nfs/dbraw/zinc/70/81/47/868708147.db2.gz CRFFVFIIWKETMD-UHFFFAOYSA-N -1 3 385.349 3.545 20 30 GHEDHM C[C@@H](OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)N(C)CCC#N ZINC000746077789 869990780 /nfs/dbraw/zinc/99/07/80/869990780.db2.gz BNWQCROHQBWOBJ-CYBMUJFWSA-N -1 3 386.835 3.630 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2cc(C(=O)OC)co2)cc(Br)c1[O-] ZINC000766492380 870818017 /nfs/dbraw/zinc/81/80/17/870818017.db2.gz WYIGNCBGQOCTMR-SNAWJCMRSA-N -1 3 395.205 3.829 20 30 GHEDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC001193548118 871152064 /nfs/dbraw/zinc/15/20/64/871152064.db2.gz RGDLECBDPMUBAS-UHFFFAOYSA-N -1 3 395.269 3.671 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000540536944 871521623 /nfs/dbraw/zinc/52/16/23/871521623.db2.gz CFCAQYMDGUYELZ-LBPRGKRZSA-N -1 3 393.336 3.523 20 30 GHEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001169574106 871648526 /nfs/dbraw/zinc/64/85/26/871648526.db2.gz SBJCVXYZZIEIOG-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001169574106 871648533 /nfs/dbraw/zinc/64/85/33/871648533.db2.gz SBJCVXYZZIEIOG-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000103330053 871775677 /nfs/dbraw/zinc/77/56/77/871775677.db2.gz ZUCWMTHRVWJMMS-GOSISDBHSA-N -1 3 388.427 3.622 20 30 GHEDHM COc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccc3)cs2)cc1 ZINC000128135313 872347555 /nfs/dbraw/zinc/34/75/55/872347555.db2.gz MLNXYYHUWNUHON-MRXNPFEDSA-N -1 3 377.425 3.780 20 30 GHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC001196679762 873280565 /nfs/dbraw/zinc/28/05/65/873280565.db2.gz KIHIKXUJMSRSTA-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C#N)c2)c(C)c1 ZINC001196879805 873424585 /nfs/dbraw/zinc/42/45/85/873424585.db2.gz JFCBDQYALAHVTQ-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000102909533 873811892 /nfs/dbraw/zinc/81/18/92/873811892.db2.gz BRFWWVOTMCDDTM-UHFFFAOYSA-N -1 3 385.467 3.534 20 30 GHEDHM Cc1ccc2c(c1)C(N=Nc1nc3c(cnn3C(C)(C)C)c(=O)[n-]1)CCCO2 ZINC000769810794 874301959 /nfs/dbraw/zinc/30/19/59/874301959.db2.gz SWLQNCIMBRLINN-UHFFFAOYSA-N -1 3 380.452 3.584 20 30 GHEDHM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000769946271 874358461 /nfs/dbraw/zinc/35/84/61/874358461.db2.gz PYFCXSFXZHLYQA-ZDUSSCGKSA-N -1 3 376.819 3.998 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2Br)c(Cl)c1 ZINC001201771638 875853580 /nfs/dbraw/zinc/85/35/80/875853580.db2.gz AUQCIMRSGXHWQJ-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C#N)s3)nc(=O)c2c1C ZINC000176402798 876096174 /nfs/dbraw/zinc/09/61/74/876096174.db2.gz WWZAHECZGYMPJQ-YHYXMXQVSA-N -1 3 391.861 3.750 20 30 GHEDHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000786888256 877041614 /nfs/dbraw/zinc/04/16/14/877041614.db2.gz VNFFCKLSGIMAII-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000530134946 877183034 /nfs/dbraw/zinc/18/30/34/877183034.db2.gz RXQAVMFHJLYQRK-LJQANCHMSA-N -1 3 391.468 3.649 20 30 GHEDHM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2)c1 ZINC000477266383 877314251 /nfs/dbraw/zinc/31/42/51/877314251.db2.gz NRPGHHBZMJRORO-UHFFFAOYSA-N -1 3 394.408 3.880 20 30 GHEDHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)C2CC2)n1 ZINC000451243410 877644054 /nfs/dbraw/zinc/64/40/54/877644054.db2.gz LFSMPHURQONOHV-OAHLLOKOSA-N -1 3 381.910 3.601 20 30 GHEDHM CCOc1cc(CN=Nc2nnc(-c3ccccn3)s2)cc(Cl)c1[O-] ZINC000788030564 877791766 /nfs/dbraw/zinc/79/17/66/877791766.db2.gz PBMPFDMLELRMCC-UHFFFAOYSA-N -1 3 375.841 3.804 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)nc1Br ZINC000792104138 880898687 /nfs/dbraw/zinc/89/86/87/880898687.db2.gz WWYQQFFVNCJZAX-CYBMUJFWSA-N -1 3 382.217 3.891 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cn(C)nc2-c2ccc(C#N)cc2)c(OC)cc1[O-] ZINC000182294907 883214484 /nfs/dbraw/zinc/21/44/84/883214484.db2.gz BMUAPCYNYKQRTM-CMDGGOBGSA-N -1 3 389.411 3.578 20 30 GHEDHM CSc1ccc(OCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000805371785 883801819 /nfs/dbraw/zinc/80/18/19/883801819.db2.gz NAIALVVNWGUBDZ-UHFFFAOYSA-N -1 3 386.473 3.552 20 30 GHEDHM N#CC(=C([O-])C=Cc1csc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000860484145 884726822 /nfs/dbraw/zinc/72/68/22/884726822.db2.gz XSYZJCLEWISMKS-BTDICHCPSA-N -1 3 380.395 3.974 20 30 GHEDHM Cc1ccc(OCCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000914899314 885154797 /nfs/dbraw/zinc/15/47/97/885154797.db2.gz WTFAPQSLODELMY-UHFFFAOYSA-N -1 3 382.460 3.837 20 30 GHEDHM N#CCn1c(C(=O)NCc2ccc([O-])c(Br)c2)cc2ccccc21 ZINC000610861912 885354360 /nfs/dbraw/zinc/35/43/60/885354360.db2.gz PQWZVNMMWKFVAY-UHFFFAOYSA-N -1 3 384.233 3.563 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000762292912 885965693 /nfs/dbraw/zinc/96/56/93/885965693.db2.gz HPXCRUDLEITRKC-AWEZNQCLSA-N -1 3 392.415 3.563 20 30 GHEDHM C[C@H]([N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)no1 ZINC000862032056 886068526 /nfs/dbraw/zinc/06/85/26/886068526.db2.gz XDBDBRFEHAFNPH-RCOVLWMOSA-N -1 3 385.239 3.995 20 30 GHEDHM CCc1ccc([C@@H](C)CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC001184273106 913091004 /nfs/dbraw/zinc/09/10/04/913091004.db2.gz OWYRPHFUZSYXME-INIZCTEOSA-N -1 3 394.471 3.647 20 30 GHEDHM Cn1c(C(F)(F)F)nc2cncc(C(=O)N([O-])Cc3ccccc3Cl)c21 ZINC001184283867 913133688 /nfs/dbraw/zinc/13/36/88/913133688.db2.gz UGTHUUPZZCRXHM-UHFFFAOYSA-N -1 3 384.745 3.672 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000119629808 887371126 /nfs/dbraw/zinc/37/11/26/887371126.db2.gz HTCLHHOITAGLJC-AWEZNQCLSA-N -1 3 387.779 3.526 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1 ZINC000119641203 887390626 /nfs/dbraw/zinc/39/06/26/887390626.db2.gz QDWDMOOGOKPXCD-ACJLOTCBSA-N -1 3 397.500 3.859 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2OC(F)F)c(OC)cc1[O-] ZINC000763105791 887667017 /nfs/dbraw/zinc/66/70/17/887667017.db2.gz SVHAPVWURXUVNP-HYXAFXHYSA-N -1 3 395.314 3.815 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000119974622 887691485 /nfs/dbraw/zinc/69/14/85/887691485.db2.gz NPFDXSXSCHAURF-OAHLLOKOSA-N -1 3 380.297 3.814 20 30 GHEDHM Cc1cc(=O)[n-]c(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000763207457 888289887 /nfs/dbraw/zinc/28/98/87/888289887.db2.gz AFXWHKNDEDXTJC-CYBMUJFWSA-N -1 3 388.518 3.757 20 30 GHEDHM CC(C)Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cn1 ZINC000901145039 888425003 /nfs/dbraw/zinc/42/50/03/888425003.db2.gz ZWRMFKCFEJYXSZ-GOSISDBHSA-N -1 3 395.488 3.555 20 30 GHEDHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000796097114 913300060 /nfs/dbraw/zinc/30/00/60/913300060.db2.gz PMSHPUNJIXNVPN-AWEZNQCLSA-N -1 3 398.347 3.732 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000121687623 889091610 /nfs/dbraw/zinc/09/16/10/889091610.db2.gz AHUQMEVVVSIEGZ-INIZCTEOSA-N -1 3 398.344 3.852 20 30 GHEDHM COC(=O)c1ccc(-c2nc(COC(=O)c3cc([O-])cc(C#N)c3)cs2)cc1 ZINC000811184619 889271265 /nfs/dbraw/zinc/27/12/65/889271265.db2.gz RYKIBHNEWLDAJU-UHFFFAOYSA-N -1 3 394.408 3.531 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000811184480 889271458 /nfs/dbraw/zinc/27/14/58/889271458.db2.gz OMVKMOVFHOEYBN-UHFFFAOYSA-N -1 3 390.182 3.978 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000811187965 889273138 /nfs/dbraw/zinc/27/31/38/889273138.db2.gz RFPWQQXGPAOHBU-GJZGRUSLSA-N -1 3 388.423 3.840 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)sc1Br ZINC000123598261 889342135 /nfs/dbraw/zinc/34/21/35/889342135.db2.gz HNXYBNYICCHJSF-NSHDSACASA-N -1 3 377.329 3.570 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C#N)cc1N(C)C ZINC000811833166 890019025 /nfs/dbraw/zinc/01/90/25/890019025.db2.gz PFKATDVOEDBCHS-CMDGGOBGSA-N -1 3 375.881 3.999 20 30 GHEDHM C[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)nc2C1 ZINC000870142109 890229252 /nfs/dbraw/zinc/22/92/52/890229252.db2.gz GKLIRMFRUOSSNC-JQWIXIFHSA-N -1 3 391.258 3.733 20 30 GHEDHM COc1cc(CCC(=O)[N-]Oc2cccc(C#N)c2)ccc1OCC(F)(F)F ZINC000870692915 890473310 /nfs/dbraw/zinc/47/33/10/890473310.db2.gz RKRCROYXHNGKQM-UHFFFAOYSA-N -1 3 394.349 3.551 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000815022965 893347958 /nfs/dbraw/zinc/34/79/58/893347958.db2.gz FKXOZKLDCLYMCZ-CQSZACIVSA-N -1 3 390.352 3.697 20 30 GHEDHM CC(=O)[C@@](C#N)(CCN1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000878206676 894091065 /nfs/dbraw/zinc/09/10/65/894091065.db2.gz DCBMCTHXYDZNPI-DEOSSOPVSA-N -1 3 390.483 3.728 20 30 GHEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000563993233 894413126 /nfs/dbraw/zinc/41/31/26/894413126.db2.gz BUMAEXNSWKEKSW-HXUWFJFHSA-N -1 3 385.489 3.983 20 30 GHEDHM O=C(CCCc1ccccc1)NCC/N=C/c1cc(Br)ccc1[O-] ZINC000818991307 896309863 /nfs/dbraw/zinc/30/98/63/896309863.db2.gz CEYBPUVVMZNZGB-KGENOOAVSA-N -1 3 389.293 3.713 20 30 GHEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cnnn4)cc3)n2)cc1 ZINC000041513794 896353895 /nfs/dbraw/zinc/35/38/95/896353895.db2.gz QKLLCYDNONPVLA-KRWDZBQOSA-N -1 3 386.440 3.584 20 30 GHEDHM N#Cc1cnc(Cl)cc1C(F)(F)NCc1cc(Br)ccc1[O-] ZINC001160019762 898297177 /nfs/dbraw/zinc/29/71/77/898297177.db2.gz UJKQYHDAVPVLOE-UHFFFAOYSA-N -1 3 388.599 3.914 20 30 GHEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)CCc1ccccc1 ZINC000823222579 898911580 /nfs/dbraw/zinc/91/15/80/898911580.db2.gz MQWRGHRAMPPPAM-FQEVSTJZSA-N -1 3 385.414 3.768 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823898962 899290334 /nfs/dbraw/zinc/29/03/34/899290334.db2.gz GRPOKAYMGQZLBW-CVEARBPZSA-N -1 3 391.475 3.692 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823898962 899290345 /nfs/dbraw/zinc/29/03/45/899290345.db2.gz GRPOKAYMGQZLBW-CVEARBPZSA-N -1 3 391.475 3.692 20 30 GHEDHM C#CC[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000843998940 900435201 /nfs/dbraw/zinc/43/52/01/900435201.db2.gz JYXGLINEGHMRIA-GCJKJVERSA-N -1 3 390.483 3.515 20 30 GHEDHM N#Cc1c(=O)[n-]cc2c1CCCC2=NNc1ncc(C(F)(F)F)cc1Cl ZINC000844567836 901043448 /nfs/dbraw/zinc/04/34/48/901043448.db2.gz VPSPJWFKUPZGHA-UHFFFAOYSA-N -1 3 381.745 3.879 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000263828472 902584835 /nfs/dbraw/zinc/58/48/35/902584835.db2.gz SVDJLTOMGOBYAF-UHFFFAOYSA-N -1 3 395.478 3.829 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264490945 903134851 /nfs/dbraw/zinc/13/48/51/903134851.db2.gz DLWCKPSHAXWXBT-LBPRGKRZSA-N -1 3 399.428 3.870 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1C ZINC000132568570 903278024 /nfs/dbraw/zinc/27/80/24/903278024.db2.gz HVWSRCKMYODJGO-UHFFFAOYSA-N -1 3 377.366 3.762 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1[C@H](C)C1CC1 ZINC000777304098 905723357 /nfs/dbraw/zinc/72/33/57/905723357.db2.gz MDJIOSVDMQSUSL-RISCZKNCSA-N -1 3 388.830 3.916 20 30 GHEDHM C=CCC(CC=C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000177446470 906134699 /nfs/dbraw/zinc/13/46/99/906134699.db2.gz KMDFVCPOMQLRLJ-UHFFFAOYSA-N -1 3 376.884 3.991 20 30 GHEDHM CC(C)(C)CNC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190962641 906478211 /nfs/dbraw/zinc/47/82/11/906478211.db2.gz WRJCXWXUJQYVII-QGZVFWFLSA-N -1 3 386.455 3.896 20 30 GHEDHM N#CC(=C([O-])c1cc2c(c(Br)c1)OCO2)c1cnc2ccccc2n1 ZINC000190996229 906516709 /nfs/dbraw/zinc/51/67/09/906516709.db2.gz MAKBPROUNWJBAI-LLVKDONJSA-N -1 3 396.200 3.611 20 30 GHEDHM N#CCCc1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1 ZINC001178220144 908962108 /nfs/dbraw/zinc/96/21/08/908962108.db2.gz OYSPQDHKCORINT-UHFFFAOYSA-N -1 3 396.244 3.999 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCn2ccc3ccccc32)c(C)c1[O-] ZINC001180666928 910294651 /nfs/dbraw/zinc/29/46/51/910294651.db2.gz UWUJTQVRDKHEOY-UHFFFAOYSA-N -1 3 391.427 3.733 20 30 GHEDHM C=CCNC(=O)c1ccc(NCc2cc(C)cc(Br)c2[O-])cc1 ZINC000775177712 916031454 /nfs/dbraw/zinc/03/14/54/916031454.db2.gz CDWATAPYKGGUGD-UHFFFAOYSA-N -1 3 375.266 3.991 20 30 GHEDHM N#Cc1ccc(OC2CCN(C(=O)c3ccc(=O)[n-]c3Cl)CC2)cc1Cl ZINC001190910363 917658071 /nfs/dbraw/zinc/65/80/71/917658071.db2.gz QJDGMXZCLLUBIH-UHFFFAOYSA-N -1 3 392.242 3.649 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000007673907 919738511 /nfs/dbraw/zinc/73/85/11/919738511.db2.gz WCEGZJUBHZIYKI-UHFFFAOYSA-N -1 3 394.471 3.520 20 30 GHEDHM O=C(c1ccc2cncc(Br)c2n1)N([O-])Cc1ccc(F)cc1 ZINC000900093897 919835311 /nfs/dbraw/zinc/83/53/11/919835311.db2.gz AXMMHJNREJMPIV-UHFFFAOYSA-N -1 3 376.185 3.563 20 30 GHEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc(OC)c1Br ZINC000901375599 921052763 /nfs/dbraw/zinc/05/27/63/921052763.db2.gz HSGZJHKADJHXRW-UHFFFAOYSA-N -1 3 384.201 3.637 20 30 GHEDHM COc1ccc2c(c1)C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)CO2 ZINC000901380596 921058687 /nfs/dbraw/zinc/05/86/87/921058687.db2.gz ZDZZBDKVDJNALR-CYBMUJFWSA-N -1 3 382.243 3.971 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365664336 921060465 /nfs/dbraw/zinc/06/04/65/921060465.db2.gz YZFPENXOUATTNQ-RTWAWAEBSA-N -1 3 388.471 3.507 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1ccnc(C#N)c1 ZINC000796635110 926372595 /nfs/dbraw/zinc/37/25/95/926372595.db2.gz XMINTXCLQLOIGM-GOSISDBHSA-N -1 3 382.379 3.707 20 30 GHEDHM COc1ccc(C2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)cc1 ZINC000374098305 926757666 /nfs/dbraw/zinc/75/76/66/926757666.db2.gz XXZNOLCDJGVZPO-UHFFFAOYSA-N -1 3 393.487 3.623 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(Oc3ccccc3)c2)cc1 ZINC000749338005 927059405 /nfs/dbraw/zinc/05/94/05/927059405.db2.gz LOOAXIJCQGZTNF-LJQANCHMSA-N -1 3 387.395 3.844 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccsc32)ccc1F ZINC000752375863 928802994 /nfs/dbraw/zinc/80/29/94/928802994.db2.gz NHUFSSFDNOVPDJ-UHFFFAOYSA-N -1 3 390.461 3.757 20 30 GHEDHM [O-]c1c(O)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000757561852 929730375 /nfs/dbraw/zinc/73/03/75/929730375.db2.gz VORNNLNMPULVEZ-UHFFFAOYSA-N -1 3 376.132 3.720 20 30 GHEDHM Clc1cc(Br)cc2c1CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000758107573 929924462 /nfs/dbraw/zinc/92/44/62/929924462.db2.gz PGGJNKRGUPGVSF-UHFFFAOYSA-N -1 3 377.633 3.531 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N(CCC#N)Cc3cccnc3)cc2)cc(=O)[n-]1 ZINC000469506641 929950498 /nfs/dbraw/zinc/95/04/98/929950498.db2.gz KQPAOSYWXBIQJW-UHFFFAOYSA-N -1 3 388.431 3.500 20 30 GHEDHM CCN(C[C@H](C)C#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469564554 929993194 /nfs/dbraw/zinc/99/31/94/929993194.db2.gz AFYZKZKFIPSFOI-SECBINFHSA-N -1 3 396.672 3.566 20 30 GHEDHM Cc1oc2ccccc2c1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000546631191 930310591 /nfs/dbraw/zinc/31/05/91/930310591.db2.gz IQHPMGYCKXCVAO-UHFFFAOYSA-N -1 3 377.444 3.622 20 30 GHEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000783837454 931683464 /nfs/dbraw/zinc/68/34/64/931683464.db2.gz LLVOZJNLBFLGSS-UHFFFAOYSA-N -1 3 393.852 3.601 20 30 GHEDHM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784121927 931791288 /nfs/dbraw/zinc/79/12/88/931791288.db2.gz MAMOEWIUGNMKRP-UHFFFAOYSA-N -1 3 389.289 3.690 20 30 GHEDHM COc1cc(C=NNc2ccc(C#N)cc2C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000799491453 933018984 /nfs/dbraw/zinc/01/89/84/933018984.db2.gz FQSBSXYUHJTTCP-UHFFFAOYSA-N -1 3 380.282 3.645 20 30 GHEDHM C=Cn1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC(C)(C)C)cn1 ZINC001116804310 933766527 /nfs/dbraw/zinc/76/65/27/933766527.db2.gz SCQZFFKKNNIZOD-UHFFFAOYSA-N -1 3 383.477 3.506 20 30 GHEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001122080104 934816958 /nfs/dbraw/zinc/81/69/58/934816958.db2.gz YEYWRCOHYXEHNM-GOSISDBHSA-N -1 3 390.491 3.732 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3cscn3)n2CCOC)c1[O-] ZINC001122193837 934841108 /nfs/dbraw/zinc/84/11/08/934841108.db2.gz ZOYJTEWGQKLQKK-UHFFFAOYSA-N -1 3 399.520 3.509 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccncc1 ZINC001122499844 934883642 /nfs/dbraw/zinc/88/36/42/934883642.db2.gz LYYNNSCBQOGVRX-AWEZNQCLSA-N -1 3 392.369 3.811 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCOC2)c1[O-] ZINC001123152304 935092513 /nfs/dbraw/zinc/09/25/13/935092513.db2.gz JRQARHZGLOOMAA-SJORKVTESA-N -1 3 395.507 3.544 20 30 GHEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)C[C@H](C)CCC ZINC001573293897 946969265 /nfs/dbraw/zinc/96/92/65/946969265.db2.gz NNKQOGLSVTUFGQ-OAHLLOKOSA-N -1 3 380.500 3.574 20 30 GHEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)C[C@H](C)CCC ZINC001573293897 946969269 /nfs/dbraw/zinc/96/92/69/946969269.db2.gz NNKQOGLSVTUFGQ-OAHLLOKOSA-N -1 3 380.500 3.574 20 30 GHEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001573309098 947191483 /nfs/dbraw/zinc/19/14/83/947191483.db2.gz CNWACJJUNIEMCV-NRFANRHFSA-N -1 3 393.447 3.826 20 30 GHEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001573309098 947191489 /nfs/dbraw/zinc/19/14/89/947191489.db2.gz CNWACJJUNIEMCV-NRFANRHFSA-N -1 3 393.447 3.826 20 30 GHEDHM C=CCC1(CNC(=O)N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCC1 ZINC001573329413 947420847 /nfs/dbraw/zinc/42/08/47/947420847.db2.gz JLESGICPDMYLFU-UHFFFAOYSA-N -1 3 394.523 3.892 20 30 GHEDHM C=CCC1(CNC(=O)N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC001573329413 947420857 /nfs/dbraw/zinc/42/08/57/947420857.db2.gz JLESGICPDMYLFU-UHFFFAOYSA-N -1 3 394.523 3.892 20 30 GHEDHM C=CCCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H](C)C1 ZINC001573334195 947449842 /nfs/dbraw/zinc/44/98/42/947449842.db2.gz ANVJUQXHNUANNE-MRXNPFEDSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H](C)C1 ZINC001573334195 947449849 /nfs/dbraw/zinc/44/98/49/947449849.db2.gz ANVJUQXHNUANNE-MRXNPFEDSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCCCN(CC)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001573334459 947454309 /nfs/dbraw/zinc/45/43/09/947454309.db2.gz DEXXGLMRQDZJSD-UHFFFAOYSA-N -1 3 391.475 3.874 20 30 GHEDHM C=CCCCN(CC)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001573334459 947454315 /nfs/dbraw/zinc/45/43/15/947454315.db2.gz DEXXGLMRQDZJSD-UHFFFAOYSA-N -1 3 391.475 3.874 20 30 GHEDHM C=CCCC[C@H](C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001573334803 947465007 /nfs/dbraw/zinc/46/50/07/947465007.db2.gz IIUJXJFUUGMPCJ-RTWAWAEBSA-N -1 3 387.487 3.590 20 30 GHEDHM C=CCCC[C@H](C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001573334803 947465015 /nfs/dbraw/zinc/46/50/15/947465015.db2.gz IIUJXJFUUGMPCJ-RTWAWAEBSA-N -1 3 387.487 3.590 20 30 GHEDHM CC(C)(C)CN(CCC#N)c1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001573845796 950241600 /nfs/dbraw/zinc/24/16/00/950241600.db2.gz MNTAWIHSANZHJO-UHFFFAOYSA-N -1 3 381.253 3.534 20 30 GHEDHM CC(C)(C)CN(CCC#N)c1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001573845796 950241617 /nfs/dbraw/zinc/24/16/17/950241617.db2.gz MNTAWIHSANZHJO-UHFFFAOYSA-N -1 3 381.253 3.534 20 30 GHEDHM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)C[C@H](O)c1cccc(C#N)c1 ZINC001598508983 992543240 /nfs/dbraw/zinc/54/32/40/992543240.db2.gz QCDGKWZPANLGME-FQEVSTJZSA-N -1 3 376.412 3.682 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(Br)cc2)no1 ZINC000545521754 1015985452 /nfs/dbraw/zinc/98/54/52/1015985452.db2.gz WMTIRSKYBZMSOE-UHFFFAOYSA-N -1 3 399.248 3.873 20 30 GHEDHM N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)C2)c(F)c1 ZINC000561228867 1017811645 /nfs/dbraw/zinc/81/16/45/1017811645.db2.gz GJJJOBIPIAYMQO-GFCCVEGCSA-N -1 3 393.340 3.887 20 30 GHEDHM COc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc2ccccc21 ZINC001155914170 1032791473 /nfs/dbraw/zinc/79/14/73/1032791473.db2.gz HVNZYTPANBJRIF-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccs1 ZINC000568987810 1019457356 /nfs/dbraw/zinc/45/73/56/1019457356.db2.gz SEBDHMUGTRIZIG-UHFFFAOYSA-N -1 3 377.491 3.682 20 30 GHEDHM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C ZINC000194871847 1020968529 /nfs/dbraw/zinc/96/85/29/1020968529.db2.gz AFCWJSVKKFEZDD-OAHLLOKOSA-N -1 3 385.427 3.566 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C[C@]2(C)CC2(Cl)Cl)no1 ZINC000834871096 1021583144 /nfs/dbraw/zinc/58/31/44/1021583144.db2.gz LPTNMTNWFMHPIJ-MRXNPFEDSA-N -1 3 381.263 3.570 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC(F)F)c2)cc1 ZINC000835060384 1021832272 /nfs/dbraw/zinc/83/22/72/1021832272.db2.gz AAKAXYSETLHIBT-INIZCTEOSA-N -1 3 387.386 3.987 20 30 GHEDHM C=CC[C@@H]1[C@H](Oc2n[n-]c(-c3ccncc3)n2)CCCN1C(=O)OC(C)(C)C ZINC001228699054 1033053164 /nfs/dbraw/zinc/05/31/64/1033053164.db2.gz CSIVBAYKCVQBOS-HZPDHXFCSA-N -1 3 385.468 3.590 20 30 GHEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000836326138 1022877480 /nfs/dbraw/zinc/87/74/80/1022877480.db2.gz WASBKACLUWPULB-UHFFFAOYSA-N -1 3 383.404 3.745 20 30 GHEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000836326138 1022877493 /nfs/dbraw/zinc/87/74/93/1022877493.db2.gz WASBKACLUWPULB-UHFFFAOYSA-N -1 3 383.404 3.745 20 30 GHEDHM N#Cc1ccc(N2C[C@@H](C(=O)Nc3c([O-])cccc3Cl)CC2=O)cc1Cl ZINC001141468927 1025148293 /nfs/dbraw/zinc/14/82/93/1025148293.db2.gz CVIQCFJRHSMLCZ-NSHDSACASA-N -1 3 390.226 3.562 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](c2ccccc2)c2cccnn2)n1 ZINC001163102578 1026042933 /nfs/dbraw/zinc/04/29/33/1026042933.db2.gz PQTCPUPIZRIRPT-ANKPHQHTSA-N -1 3 386.868 3.652 20 30 GHEDHM COc1c(C)nc(C2CC2)nc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765889 1026309269 /nfs/dbraw/zinc/30/92/69/1026309269.db2.gz MSAMLILPSGVVCL-UHFFFAOYSA-N -1 3 382.342 3.818 20 30 GHEDHM N#Cc1cncc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)c1 ZINC001165471729 1026736207 /nfs/dbraw/zinc/73/62/07/1026736207.db2.gz WXGOQLNFAVGNEM-UHFFFAOYSA-N -1 3 394.847 3.733 20 30 GHEDHM COCCn1nc(C)c(C(=O)/C=C/c2cccc([O-])c2Br)c1C ZINC000840720956 1027759654 /nfs/dbraw/zinc/75/96/54/1027759654.db2.gz QLSNBEUWSKXNLE-BQYQJAHWSA-N -1 3 379.254 3.511 20 30 GHEDHM CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cc([O-])cc2Cl)C[C@H]1C#N ZINC001142115024 1028156244 /nfs/dbraw/zinc/15/62/44/1028156244.db2.gz UIKKVFKKSVEHKR-LLVKDONJSA-N -1 3 386.279 3.644 20 30 GHEDHM CC(C)(C)c1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c(C#N)c1 ZINC001215447767 1029213164 /nfs/dbraw/zinc/21/31/64/1029213164.db2.gz FXSUAMPXONMFAQ-UHFFFAOYSA-N -1 3 396.472 3.944 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccc1N1CCOCC1 ZINC000842682166 1029487986 /nfs/dbraw/zinc/48/79/86/1029487986.db2.gz OEVOKHUSSRNYLS-INIZCTEOSA-N -1 3 377.469 3.931 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3cccc(OCCO)c3[O-])n2)cc1Cl ZINC001216959570 1030032617 /nfs/dbraw/zinc/03/26/17/1030032617.db2.gz UFIDBTGKKFJDEO-UHFFFAOYSA-N -1 3 392.198 3.659 20 30 GHEDHM C=CCOc1ccc(-c2noc(-c3n[n-]c4cc(C(=O)OC)ccc43)n2)c(F)c1 ZINC001217637288 1030562137 /nfs/dbraw/zinc/56/21/37/1030562137.db2.gz YUWYGNWJVFRPNT-UHFFFAOYSA-N -1 3 394.362 3.770 20 30 GHEDHM CC(C)(C#N)c1ccc(NC(=O)c2nc3cc(Br)ccc3[n-]2)cn1 ZINC001151821379 1031019087 /nfs/dbraw/zinc/01/90/87/1031019087.db2.gz MJBFRPBSWLUOCJ-UHFFFAOYSA-N -1 3 384.237 3.774 20 30 GHEDHM CC(C)(C#N)c1ccc(NC(=O)c2nc3ccc(Br)cc3[n-]2)cn1 ZINC001151821379 1031019110 /nfs/dbraw/zinc/01/91/10/1031019110.db2.gz MJBFRPBSWLUOCJ-UHFFFAOYSA-N -1 3 384.237 3.774 20 30 GHEDHM O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154213426 1031988822 /nfs/dbraw/zinc/98/88/22/1031988822.db2.gz TVSROXAWRNLSIM-UHFFFAOYSA-N -1 3 381.391 3.763 20 30 GHEDHM Cc1csc2[n-]c(=S)nc(OC3CCN(c4cc(C#N)ccn4)CC3)c12 ZINC001229351599 1033431769 /nfs/dbraw/zinc/43/17/69/1033431769.db2.gz BYFSRIOAABMHJY-UHFFFAOYSA-N -1 3 383.502 3.603 20 30 GHEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N[C@](C)(C#N)c1ccccc1Cl ZINC001158483593 1034101801 /nfs/dbraw/zinc/10/18/01/1034101801.db2.gz ZPPCPFZLWFZSAW-QGZVFWFLSA-N -1 3 390.230 3.902 20 30 GHEDHM CON=Cc1ccc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)cc1 ZINC001159357522 1034560353 /nfs/dbraw/zinc/56/03/53/1034560353.db2.gz TTXDVVIHWBDGGQ-UHFFFAOYSA-N -1 3 381.461 3.638 20 30 GHEDHM C=C(C)CN1CC[C@]2(CCCN2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541469 1034762673 /nfs/dbraw/zinc/76/26/73/1034762673.db2.gz YHKSQSYTMVRUII-LJQANCHMSA-N -1 3 393.325 3.606 20 30 GHEDHM COc1cc2cc(C(=O)N([O-])Cc3ccccc3Cl)[nH]c2c(OC)c1OC ZINC001161802209 1035305128 /nfs/dbraw/zinc/30/51/28/1035305128.db2.gz MJSDALPOJCAPKQ-UHFFFAOYSA-N -1 3 390.823 3.879 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(-c3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC001242771917 1035957467 /nfs/dbraw/zinc/95/74/67/1035957467.db2.gz PQZVMYIOLORGHV-UHFFFAOYSA-N -1 3 383.411 3.993 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(-c3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC001242771917 1035957472 /nfs/dbraw/zinc/95/74/72/1035957472.db2.gz PQZVMYIOLORGHV-UHFFFAOYSA-N -1 3 383.411 3.993 20 30 GHEDHM Cc1cc(Br)ccc1N1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232678417 1038476302 /nfs/dbraw/zinc/47/63/02/1038476302.db2.gz YIUSLVBFZVGJHD-UHFFFAOYSA-N -1 3 386.293 3.657 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCN(Cc3ccc(F)c([O-])c3F)CC2)CC1 ZINC001232931325 1038714064 /nfs/dbraw/zinc/71/40/64/1038714064.db2.gz MIKGQELGFGVTAD-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCN(Cc3c(F)ccc([O-])c3F)CC2)CC1 ZINC001233393183 1039224126 /nfs/dbraw/zinc/22/41/26/1039224126.db2.gz HALDCYCWRWTFTM-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM CC[C@H](Cc1ccccc1Br)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001252915593 1039253255 /nfs/dbraw/zinc/25/32/55/1039253255.db2.gz KUIJGTNXGCQBNA-CYBMUJFWSA-N -1 3 393.306 3.509 20 30 GHEDHM C#C[C@@H](CCC)Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC ZINC001234757264 1040285630 /nfs/dbraw/zinc/28/56/30/1040285630.db2.gz IGFHTAQFUUQIQH-LBPRGKRZSA-N -1 3 398.411 3.858 20 30 GHEDHM C#C[C@@H](CCC)Oc1c(OC)cc2c(oc3cc(OC)cc([O-])c3c2=O)c1OC ZINC001234757264 1040285646 /nfs/dbraw/zinc/28/56/46/1040285646.db2.gz IGFHTAQFUUQIQH-LBPRGKRZSA-N -1 3 398.411 3.858 20 30 GHEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001277993282 1041801728 /nfs/dbraw/zinc/80/17/28/1041801728.db2.gz WYLPIZIEMRUPCF-AWEZNQCLSA-N -1 3 396.318 3.721 20 30 GHEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cccc3c(C#N)cccc13)C(=O)C2 ZINC001258973167 1044913083 /nfs/dbraw/zinc/91/30/83/1044913083.db2.gz XSZAKDZVOBEEQL-BTYIYWSLSA-N -1 3 382.485 3.849 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Br)cc2F)c1 ZINC001259125720 1044972010 /nfs/dbraw/zinc/97/20/10/1044972010.db2.gz OTHCFGSLNTVRPU-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259417172 1045136457 /nfs/dbraw/zinc/13/64/57/1045136457.db2.gz JZFMBSNHNIUQNQ-UHFFFAOYSA-N -1 3 398.463 3.866 20 30 GHEDHM COC(=O)c1cc(Cl)cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1[O-] ZINC001297625851 1045591659 /nfs/dbraw/zinc/59/16/59/1045591659.db2.gz JZMTZIAOLBQQIA-UHFFFAOYSA-N -1 3 397.736 3.841 20 30 GHEDHM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Br ZINC001260764432 1045646602 /nfs/dbraw/zinc/64/66/02/1045646602.db2.gz OCIORUMHUKTZRM-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001260823388 1045690566 /nfs/dbraw/zinc/69/05/66/1045690566.db2.gz JKGXIURXFHKTDH-UHFFFAOYSA-N -1 3 399.255 3.594 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCC4(CCOCC4)C3)n2C)c1[O-] ZINC001262918212 1046420439 /nfs/dbraw/zinc/42/04/39/1046420439.db2.gz JTOKVLJDJMUCJC-UHFFFAOYSA-N -1 3 382.508 3.703 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2cccnc2)cc1)c1nc(N)c2ccccc2n1 ZINC001263375849 1046761248 /nfs/dbraw/zinc/76/12/48/1046761248.db2.gz AJPHXIPTHMVBIA-GOSISDBHSA-N -1 3 381.395 3.889 20 30 GHEDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C#N)CC1 ZINC001263391060 1046774863 /nfs/dbraw/zinc/77/48/63/1046774863.db2.gz PQSXLAPEAQANSC-UHFFFAOYSA-N -1 3 382.493 3.656 20 30 GHEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C#N)c1ccco1 ZINC001463300056 1070972779 /nfs/dbraw/zinc/97/27/79/1070972779.db2.gz ABALVLGEUIZYLE-HXUWFJFHSA-N -1 3 382.441 3.536 20 30 GHEDHM O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001306896456 1048949618 /nfs/dbraw/zinc/94/96/18/1048949618.db2.gz XSCPTNSZIITDOS-QFIPXVFZSA-N -1 3 394.515 3.708 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306896421 1048949621 /nfs/dbraw/zinc/94/96/21/1048949621.db2.gz WNSBSKDVRJMVHR-ZWKOTPCHSA-N -1 3 376.497 3.921 20 30 GHEDHM COCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC001330593010 1051035249 /nfs/dbraw/zinc/03/52/49/1051035249.db2.gz UHQHAYOLNXXLJX-OAHLLOKOSA-N -1 3 398.406 3.522 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001342523957 1053216849 /nfs/dbraw/zinc/21/68/49/1053216849.db2.gz WGGQBLSALKLISQ-UHFFFAOYSA-N -1 3 396.882 3.541 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(-c3ccccc3Cl)on2)c1 ZINC001342608942 1053261871 /nfs/dbraw/zinc/26/18/71/1053261871.db2.gz ZCZWQSZJSCIUFX-OAHLLOKOSA-N -1 3 395.802 3.965 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1-c1ccccn1 ZINC001343354437 1053722932 /nfs/dbraw/zinc/72/29/32/1053722932.db2.gz KQMOKGVUDMMQGA-KRWDZBQOSA-N -1 3 395.422 3.773 20 30 GHEDHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1nccn1Cc1ccccc1 ZINC001343842444 1054061488 /nfs/dbraw/zinc/06/14/88/1054061488.db2.gz MNUIKTMMHULCFC-INIZCTEOSA-N -1 3 387.365 3.570 20 30 GHEDHM CC(C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(C(C)C)c1 ZINC001321759391 1056387499 /nfs/dbraw/zinc/38/74/99/1056387499.db2.gz YXOUSCLHRAHKCS-UHFFFAOYSA-N -1 3 385.493 3.597 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1ccccc1OCC(F)(F)F ZINC001441991080 1058901654 /nfs/dbraw/zinc/90/16/54/1058901654.db2.gz OKPOGEOIMUXGMD-UHFFFAOYSA-N -1 3 384.304 3.908 20 30 GHEDHM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC(c2cncn2C)CC1 ZINC001339037362 1058933381 /nfs/dbraw/zinc/93/33/81/1058933381.db2.gz PKKQUYBEQDRSEZ-UHFFFAOYSA-N -1 3 398.898 3.608 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC001339197519 1059006136 /nfs/dbraw/zinc/00/61/36/1059006136.db2.gz RBEFSYSJGVYUEF-YJBOKZPZSA-N -1 3 390.491 3.626 20 30 GHEDHM N#Cc1ccc(C2=CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)cc1 ZINC001447178859 1059934221 /nfs/dbraw/zinc/93/42/21/1059934221.db2.gz WIHKUGVBXZGVGM-UHFFFAOYSA-N -1 3 383.245 3.956 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001341738730 1060851600 /nfs/dbraw/zinc/85/16/00/1060851600.db2.gz DCKFTOFINMRGBQ-FOIQADDNSA-N -1 3 390.491 3.913 20 30 GHEDHM C=CCCCN(CC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC001456845185 1062891182 /nfs/dbraw/zinc/89/11/82/1062891182.db2.gz NPICGMOVVPJABG-UHFFFAOYSA-N -1 3 387.505 3.767 20 30 GHEDHM COc1cc(C(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)ccc1C#N ZINC001457168405 1062996193 /nfs/dbraw/zinc/99/61/93/1062996193.db2.gz QGWFJDCRQMVQLM-UHFFFAOYSA-N -1 3 379.445 3.538 20 30 GHEDHM O=C([C@@H]1CCCN1c1ncnc2sccc21)N([O-])CCCCc1ccccc1 ZINC001457996226 1063495958 /nfs/dbraw/zinc/49/59/58/1063495958.db2.gz YVGBIWXHBZDDKT-SFHVURJKSA-N -1 3 396.516 3.901 20 30 GHEDHM C[C@H]1[C@H](C(=O)N([O-])CCCCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001458009255 1063502829 /nfs/dbraw/zinc/50/28/29/1063502829.db2.gz QEYZMVNBAXRWNT-FUHWJXTLSA-N -1 3 376.497 3.873 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N([O-])Cc1cccc2ccccc21 ZINC001458015610 1063507380 /nfs/dbraw/zinc/50/73/80/1063507380.db2.gz GDPWCGFVRVVMNC-QGZVFWFLSA-N -1 3 378.403 3.750 20 30 GHEDHM C=CCCC[C@@H](C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001350427646 1064083039 /nfs/dbraw/zinc/08/30/39/1064083039.db2.gz BLDCZRKFGZGGDT-WOJBJXKFSA-N -1 3 394.519 3.716 20 30 GHEDHM C=C(C)c1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC001472267152 1073389938 /nfs/dbraw/zinc/38/99/38/1073389938.db2.gz DRRAOARIYXVPPX-UHFFFAOYSA-N -1 3 388.489 3.887 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c(Cl)c1 ZINC001475595635 1074923386 /nfs/dbraw/zinc/92/33/86/1074923386.db2.gz NXUBYIZHVHFRBU-QWHCGFSZSA-N -1 3 392.830 3.829 20 30 GHEDHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)ccc2c1 ZINC000737120693 598919510 /nfs/dbraw/zinc/91/95/10/598919510.db2.gz RTDAPXRKGFKLNX-ZDUSSCGKSA-N -1 3 398.426 3.642 20 30 GHEDHM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)ccc2c1 ZINC000737120693 598919512 /nfs/dbraw/zinc/91/95/12/598919512.db2.gz RTDAPXRKGFKLNX-ZDUSSCGKSA-N -1 3 398.426 3.642 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000737718447 598916472 /nfs/dbraw/zinc/91/64/72/598916472.db2.gz JKEMWJRKMPOUFY-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000737718447 598916473 /nfs/dbraw/zinc/91/64/73/598916473.db2.gz JKEMWJRKMPOUFY-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM CC(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000735921690 598920611 /nfs/dbraw/zinc/92/06/11/598920611.db2.gz YYHOVSPZXWDCSW-UHFFFAOYSA-N -1 3 383.415 3.662 20 30 GHEDHM CC(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000735921690 598920613 /nfs/dbraw/zinc/92/06/13/598920613.db2.gz YYHOVSPZXWDCSW-UHFFFAOYSA-N -1 3 383.415 3.662 20 30 GHEDHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736194065 598926311 /nfs/dbraw/zinc/92/63/11/598926311.db2.gz YDNCBARGYAUPMD-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736194065 598926313 /nfs/dbraw/zinc/92/63/13/598926313.db2.gz YDNCBARGYAUPMD-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000737730350 598980276 /nfs/dbraw/zinc/98/02/76/598980276.db2.gz ITHDGPNKHFMICT-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000737730350 598980278 /nfs/dbraw/zinc/98/02/78/598980278.db2.gz ITHDGPNKHFMICT-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(Cl)c1OC ZINC000821713268 599110354 /nfs/dbraw/zinc/11/03/54/599110354.db2.gz TZLIUSKFICAUDX-NTUHNPAUSA-N -1 3 396.834 3.750 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(Cl)c1OC ZINC000821713268 599110356 /nfs/dbraw/zinc/11/03/56/599110356.db2.gz TZLIUSKFICAUDX-NTUHNPAUSA-N -1 3 396.834 3.750 20 30 GHEDHM COc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1OC(C)C ZINC000821864105 599116127 /nfs/dbraw/zinc/11/61/27/599116127.db2.gz UAXIYNATIFCZFD-NTCAYCPXSA-N -1 3 390.443 3.875 20 30 GHEDHM COc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1OC(C)C ZINC000821864105 599116130 /nfs/dbraw/zinc/11/61/30/599116130.db2.gz UAXIYNATIFCZFD-NTCAYCPXSA-N -1 3 390.443 3.875 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823503276 599116991 /nfs/dbraw/zinc/11/69/91/599116991.db2.gz CPYAHXYMSLCTCT-FLIBITNWSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823503276 599116994 /nfs/dbraw/zinc/11/69/94/599116994.db2.gz CPYAHXYMSLCTCT-FLIBITNWSA-N -1 3 381.779 3.641 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000737082103 599150661 /nfs/dbraw/zinc/15/06/61/599150661.db2.gz UQDKPWOAOWMFIZ-KRXBUXKQSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000737082103 599150664 /nfs/dbraw/zinc/15/06/64/599150664.db2.gz UQDKPWOAOWMFIZ-KRXBUXKQSA-N -1 3 385.221 3.534 20 30 GHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000735402215 599154302 /nfs/dbraw/zinc/15/43/02/599154302.db2.gz MOGPEBJIKOYSDS-OQFOIZHKSA-N -1 3 396.834 3.903 20 30 GHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000735402215 599154304 /nfs/dbraw/zinc/15/43/04/599154304.db2.gz MOGPEBJIKOYSDS-OQFOIZHKSA-N -1 3 396.834 3.903 20 30 GHEDHM CC(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)(c1ccccc1)c1ccccc1 ZINC000735558482 599195123 /nfs/dbraw/zinc/19/51/23/599195123.db2.gz CNAVQNOIQJOTNT-UHFFFAOYSA-N -1 3 394.438 3.683 20 30 GHEDHM CC(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)(c1ccccc1)c1ccccc1 ZINC000735558482 599195125 /nfs/dbraw/zinc/19/51/25/599195125.db2.gz CNAVQNOIQJOTNT-UHFFFAOYSA-N -1 3 394.438 3.683 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737706760 599197825 /nfs/dbraw/zinc/19/78/25/599197825.db2.gz YWRXCELHXNWQPN-PMACEKPBSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737706760 599197827 /nfs/dbraw/zinc/19/78/27/599197827.db2.gz YWRXCELHXNWQPN-PMACEKPBSA-N -1 3 380.411 3.634 20 30 GHEDHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737317564 599199957 /nfs/dbraw/zinc/19/99/57/599199957.db2.gz MYMMWEYWHVVFBZ-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737317564 599199959 /nfs/dbraw/zinc/19/99/59/599199959.db2.gz MYMMWEYWHVVFBZ-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735409991 599217505 /nfs/dbraw/zinc/21/75/05/599217505.db2.gz QUIYFWMCCALWJW-OAHLLOKOSA-N -1 3 392.463 3.840 20 30 GHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735409991 599217507 /nfs/dbraw/zinc/21/75/07/599217507.db2.gz QUIYFWMCCALWJW-OAHLLOKOSA-N -1 3 392.463 3.840 20 30 GHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735409692 599217898 /nfs/dbraw/zinc/21/78/98/599217898.db2.gz ISOYXIOTEHFDDG-ZDUSSCGKSA-N -1 3 394.435 3.754 20 30 GHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735409692 599217899 /nfs/dbraw/zinc/21/78/99/599217899.db2.gz ISOYXIOTEHFDDG-ZDUSSCGKSA-N -1 3 394.435 3.754 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737696821 599237979 /nfs/dbraw/zinc/23/79/79/599237979.db2.gz AKRKZESOVHUGED-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737696821 599237980 /nfs/dbraw/zinc/23/79/80/599237980.db2.gz AKRKZESOVHUGED-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)N[C@H](C)c1cccs1 ZINC000735420835 598323272 /nfs/dbraw/zinc/32/32/72/598323272.db2.gz UORJWIVLUPUDGW-CYBMUJFWSA-N -1 3 384.534 3.552 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)N[C@H](C)c1cccs1 ZINC000735420835 598323274 /nfs/dbraw/zinc/32/32/74/598323274.db2.gz UORJWIVLUPUDGW-CYBMUJFWSA-N -1 3 384.534 3.552 20 30 GHEDHM C=CCOc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000735437071 598475987 /nfs/dbraw/zinc/47/59/87/598475987.db2.gz WQXNWWVWYCTEEW-UHFFFAOYSA-N -1 3 390.447 3.628 20 30 GHEDHM C=CCOc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000735437071 598475989 /nfs/dbraw/zinc/47/59/89/598475989.db2.gz WQXNWWVWYCTEEW-UHFFFAOYSA-N -1 3 390.447 3.628 20 30 GHEDHM CCc1c(C)sc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000736675771 598515626 /nfs/dbraw/zinc/51/56/26/598515626.db2.gz MPWDQNRHZZMWLF-UHFFFAOYSA-N -1 3 398.517 3.543 20 30 GHEDHM CCc1c(C)sc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000736675771 598515628 /nfs/dbraw/zinc/51/56/28/598515628.db2.gz MPWDQNRHZZMWLF-UHFFFAOYSA-N -1 3 398.517 3.543 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000737712818 598554124 /nfs/dbraw/zinc/55/41/24/598554124.db2.gz VAGCHNCLOXPKNC-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000737712818 598554125 /nfs/dbraw/zinc/55/41/25/598554125.db2.gz VAGCHNCLOXPKNC-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735391476 598591380 /nfs/dbraw/zinc/59/13/80/598591380.db2.gz UANLLFRPRHYRKZ-UHFFFAOYSA-N -1 3 391.481 3.818 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000735391476 598591381 /nfs/dbraw/zinc/59/13/81/598591381.db2.gz UANLLFRPRHYRKZ-UHFFFAOYSA-N -1 3 391.481 3.818 20 30 GHEDHM CC(=NNc1ccc(Br)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000735450921 598641494 /nfs/dbraw/zinc/64/14/94/598641494.db2.gz KAQPZNNHOXGXKJ-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ccc(F)cc2C#N)n1 ZINC000737243676 598644604 /nfs/dbraw/zinc/64/46/04/598644604.db2.gz AYAHQRBPXPNWMG-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM Cc1sc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C#N)c1C ZINC000737559843 598647520 /nfs/dbraw/zinc/64/75/20/598647520.db2.gz APADFIDDPNQBQX-UHFFFAOYSA-N -1 3 396.476 3.605 20 30 GHEDHM Cc1sc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C#N)c1C ZINC000737559843 598647522 /nfs/dbraw/zinc/64/75/22/598647522.db2.gz APADFIDDPNQBQX-UHFFFAOYSA-N -1 3 396.476 3.605 20 30 GHEDHM N#Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000737704004 598648477 /nfs/dbraw/zinc/64/84/77/598648477.db2.gz GPWSOEAXBQQBEC-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM N#Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000737704004 598648479 /nfs/dbraw/zinc/64/84/79/598648479.db2.gz GPWSOEAXBQQBEC-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM CCCCOc1ccc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000736463972 598674009 /nfs/dbraw/zinc/67/40/09/598674009.db2.gz UJVLWCJOIVXEAQ-UHFFFAOYSA-N -1 3 399.426 3.744 20 30 GHEDHM CCCCOc1ccc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000736463972 598674011 /nfs/dbraw/zinc/67/40/11/598674011.db2.gz UJVLWCJOIVXEAQ-UHFFFAOYSA-N -1 3 399.426 3.744 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N(C)C[C@@H](C)C#N ZINC000737278685 598782459 /nfs/dbraw/zinc/78/24/59/598782459.db2.gz COIXXPPLPIVJGI-ZDUSSCGKSA-N -1 3 391.435 3.591 20 30 GHEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)N(C)C[C@@H](C)C#N ZINC000737278685 598782460 /nfs/dbraw/zinc/78/24/60/598782460.db2.gz COIXXPPLPIVJGI-ZDUSSCGKSA-N -1 3 391.435 3.591 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737807111 599464242 /nfs/dbraw/zinc/46/42/42/599464242.db2.gz NXUAXGRVOUWVBL-BQYQJAHWSA-N -1 3 399.439 3.534 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737807111 599464244 /nfs/dbraw/zinc/46/42/44/599464244.db2.gz NXUAXGRVOUWVBL-BQYQJAHWSA-N -1 3 399.439 3.534 20 30 GHEDHM Cc1cc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000822209292 607465114 /nfs/dbraw/zinc/46/51/14/607465114.db2.gz BKCVFCASNVNVJE-UHFFFAOYSA-N -1 3 375.205 3.523 20 30 GHEDHM Cc1cc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1Br ZINC000822209292 607465116 /nfs/dbraw/zinc/46/51/16/607465116.db2.gz BKCVFCASNVNVJE-UHFFFAOYSA-N -1 3 375.205 3.523 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000832935538 601870345 /nfs/dbraw/zinc/87/03/45/601870345.db2.gz NEEAPHVVBCFIQL-GCJKJVERSA-N -1 3 393.487 3.602 20 30 GHEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000736359480 604373280 /nfs/dbraw/zinc/37/32/80/604373280.db2.gz DSCQJOXZGUIPNA-CABZTGNLSA-N -1 3 385.367 3.784 20 30 GHEDHM N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)CCN4C(=O)[O-])CC2)cc1 ZINC000833971592 606103623 /nfs/dbraw/zinc/10/36/23/606103623.db2.gz KKPOKTHAHRIUHI-UHFFFAOYSA-N -1 3 376.460 3.675 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000819743644 606162771 /nfs/dbraw/zinc/16/27/71/606162771.db2.gz NDBZFGROFGCVDE-IAGOWNOFSA-N -1 3 390.491 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000819743644 606162772 /nfs/dbraw/zinc/16/27/72/606162772.db2.gz NDBZFGROFGCVDE-IAGOWNOFSA-N -1 3 390.491 3.757 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819740163 606358930 /nfs/dbraw/zinc/35/89/30/606358930.db2.gz RSUXOOIBVCSKFC-AWEZNQCLSA-N -1 3 380.404 3.546 20 30 GHEDHM C=CCCO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819740163 606358932 /nfs/dbraw/zinc/35/89/32/606358932.db2.gz RSUXOOIBVCSKFC-AWEZNQCLSA-N -1 3 380.404 3.546 20 30 GHEDHM N#CCOc1ccc(Cl)cc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822815657 606781516 /nfs/dbraw/zinc/78/15/16/606781516.db2.gz VQDLFKDSFOHCIH-UHFFFAOYSA-N -1 3 376.203 3.655 20 30 GHEDHM N#CCOc1ccc(Cl)cc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822815657 606781517 /nfs/dbraw/zinc/78/15/17/606781517.db2.gz VQDLFKDSFOHCIH-UHFFFAOYSA-N -1 3 376.203 3.655 20 30 GHEDHM C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820548894 606853107 /nfs/dbraw/zinc/85/31/07/606853107.db2.gz HSBPAJVDDSARRW-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820548894 606853108 /nfs/dbraw/zinc/85/31/08/606853108.db2.gz HSBPAJVDDSARRW-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)(C)C#N ZINC000824722169 607806924 /nfs/dbraw/zinc/80/69/24/607806924.db2.gz HEHQSTREABINKX-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM C[C@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(C)(C)C#N ZINC000824722169 607806925 /nfs/dbraw/zinc/80/69/25/607806925.db2.gz HEHQSTREABINKX-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)OCC ZINC000823872860 607886941 /nfs/dbraw/zinc/88/69/41/607886941.db2.gz FHPAQPDEUUVMEU-IBGZPJMESA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)OCC ZINC000823872860 607886942 /nfs/dbraw/zinc/88/69/42/607886942.db2.gz FHPAQPDEUUVMEU-IBGZPJMESA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)OCC ZINC000823873937 607920341 /nfs/dbraw/zinc/92/03/41/607920341.db2.gz QJSCMZHVLVRMIN-CYBMUJFWSA-N -1 3 375.498 3.507 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)OCC ZINC000823873937 607920342 /nfs/dbraw/zinc/92/03/42/607920342.db2.gz QJSCMZHVLVRMIN-CYBMUJFWSA-N -1 3 375.498 3.507 20 30 GHEDHM N#Cc1ccc2c(c1)N(C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)CC2 ZINC000826386205 607949310 /nfs/dbraw/zinc/94/93/10/607949310.db2.gz UDVBXSMNWKXQAY-UHFFFAOYSA-N -1 3 392.422 3.608 20 30 GHEDHM N#Cc1ccc2c(c1)N(C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)CC2 ZINC000826386205 607949311 /nfs/dbraw/zinc/94/93/11/607949311.db2.gz UDVBXSMNWKXQAY-UHFFFAOYSA-N -1 3 392.422 3.608 20 30 GHEDHM COc1ccc(CON=Cc2cccc(Cl)c2Cl)cc1-c1nnn[n-]1 ZINC000826206930 607972013 /nfs/dbraw/zinc/97/20/13/607972013.db2.gz ROCIVPWQBVPAQY-UHFFFAOYSA-N -1 3 378.219 3.733 20 30 GHEDHM COc1ccc(CON=Cc2cccc(Cl)c2Cl)cc1-c1nn[n-]n1 ZINC000826206930 607972014 /nfs/dbraw/zinc/97/20/14/607972014.db2.gz ROCIVPWQBVPAQY-UHFFFAOYSA-N -1 3 378.219 3.733 20 30 GHEDHM CCCCCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825271780 608080203 /nfs/dbraw/zinc/08/02/03/608080203.db2.gz OAUGTIGIWFWCSR-IBGZPJMESA-N -1 3 385.512 3.907 20 30 GHEDHM CCCCCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825271780 608080204 /nfs/dbraw/zinc/08/02/04/608080204.db2.gz OAUGTIGIWFWCSR-IBGZPJMESA-N -1 3 385.512 3.907 20 30 GHEDHM CC(=NNc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000823958502 608094606 /nfs/dbraw/zinc/09/46/06/608094606.db2.gz PDOCLQDIBCSMDT-UHFFFAOYSA-N -1 3 381.234 3.666 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826387295 608301623 /nfs/dbraw/zinc/30/16/23/608301623.db2.gz OCVPNQNKDLPAHP-UHFFFAOYSA-N -1 3 395.426 3.727 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826387295 608301624 /nfs/dbraw/zinc/30/16/24/608301624.db2.gz OCVPNQNKDLPAHP-UHFFFAOYSA-N -1 3 395.426 3.727 20 30 GHEDHM CCC(CSc1ccccc1[N+](=O)[O-])N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000825126960 608317516 /nfs/dbraw/zinc/31/75/16/608317516.db2.gz KLBHFMZAKZXPRO-UHFFFAOYSA-N -1 3 383.437 3.745 20 30 GHEDHM CCC(CSc1ccccc1[N+](=O)[O-])N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000825126960 608317518 /nfs/dbraw/zinc/31/75/18/608317518.db2.gz KLBHFMZAKZXPRO-UHFFFAOYSA-N -1 3 383.437 3.745 20 30 GHEDHM Fc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C(F)(F)F)c1 ZINC000826374305 608541536 /nfs/dbraw/zinc/54/15/36/608541536.db2.gz UECNKDDCLKTSSS-UHFFFAOYSA-N -1 3 385.712 3.519 20 30 GHEDHM N#Cc1ccc(CN(Cc2ccc(-c3nnn[n-]3)o2)Cc2cccc(F)c2)cc1 ZINC000826384899 608612953 /nfs/dbraw/zinc/61/29/53/608612953.db2.gz ONARMCKRRDEALK-UHFFFAOYSA-N -1 3 388.406 3.673 20 30 GHEDHM N#Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)o2)Cc2cccc(F)c2)cc1 ZINC000826384899 608612955 /nfs/dbraw/zinc/61/29/55/608612955.db2.gz ONARMCKRRDEALK-UHFFFAOYSA-N -1 3 388.406 3.673 20 30 GHEDHM CC(=NNc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958529 609159641 /nfs/dbraw/zinc/15/96/41/609159641.db2.gz PSOLIQIUJPDPBF-UHFFFAOYSA-N -1 3 393.195 3.744 20 30 GHEDHM CC(=NNc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958529 609159643 /nfs/dbraw/zinc/15/96/43/609159643.db2.gz PSOLIQIUJPDPBF-UHFFFAOYSA-N -1 3 393.195 3.744 20 30 GHEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399746 609272310 /nfs/dbraw/zinc/27/23/10/609272310.db2.gz DVHYTIVKLFYVEP-ALCCZGGFSA-N -1 3 396.332 3.570 20 30 GHEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399746 609272311 /nfs/dbraw/zinc/27/23/11/609272311.db2.gz DVHYTIVKLFYVEP-ALCCZGGFSA-N -1 3 396.332 3.570 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000823958075 609472709 /nfs/dbraw/zinc/47/27/09/609472709.db2.gz AZSSZOOARCHIFX-UHFFFAOYSA-N -1 3 378.770 3.958 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000823958075 609472710 /nfs/dbraw/zinc/47/27/10/609472710.db2.gz AZSSZOOARCHIFX-UHFFFAOYSA-N -1 3 378.770 3.958 20 30 GHEDHM CCc1cc(N2CCC(/N=C\c3cc(Br)ccc3[O-])CC2)ncn1 ZINC000255080406 837714405 /nfs/dbraw/zinc/71/44/05/837714405.db2.gz PEBZENOVLRYTRF-JAIQZWGSSA-N -1 3 389.297 3.595 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000187023597 834976674 /nfs/dbraw/zinc/97/66/74/834976674.db2.gz YCEVBKSJFPAMFX-NRFANRHFSA-N -1 3 377.488 3.723 20 30 GHEDHM O=C(Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1)N1CCc2ccccc21 ZINC000255715765 835666447 /nfs/dbraw/zinc/66/64/47/835666447.db2.gz UCWSJWDGMXVZQO-UHFFFAOYSA-N -1 3 388.423 3.686 20 30 GHEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C ZINC000177601828 836872636 /nfs/dbraw/zinc/87/26/36/836872636.db2.gz VYWGKTHTXUSMAP-CYBMUJFWSA-N -1 3 379.247 3.811 20 30 GHEDHM CN1CCN(c2ccc(CNc3cc(/C=N/[O-])cc(C(F)(F)F)c3)cc2)CC1 ZINC001167437330 840357834 /nfs/dbraw/zinc/35/78/34/840357834.db2.gz QOCHKQWAEVXPBO-AFUMVMLFSA-N -1 3 392.425 3.877 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)sc1Br ZINC000610576747 842995123 /nfs/dbraw/zinc/99/51/23/842995123.db2.gz GJFIYGHLXPYPHV-SNVBAGLBSA-N -1 3 385.308 3.730 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3csc(-c4ncccn4)n3)sc2C1 ZINC000603946447 861435779 /nfs/dbraw/zinc/43/57/79/861435779.db2.gz HAZASRTVNXZOSL-SNVBAGLBSA-N -1 3 381.486 3.910 20 30 GHEDHM COc1cccc(C(=O)/C(=C\c2cc(OC)c([O-])c(OC)c2)c2ncc[nH]2)c1 ZINC000729240204 844802744 /nfs/dbraw/zinc/80/27/44/844802744.db2.gz GOKCABVPOYGGCX-CXUHLZMHSA-N -1 3 380.400 3.565 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181391205 844957691 /nfs/dbraw/zinc/95/76/91/844957691.db2.gz IFAAQBWCPPGOSA-LBPRGKRZSA-N -1 3 386.314 3.573 20 30 GHEDHM COC(=O)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[n-]1 ZINC000431349752 846242501 /nfs/dbraw/zinc/24/25/01/846242501.db2.gz IZJJVYVTMJXCEU-UHFFFAOYSA-N -1 3 389.411 3.699 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135577173 848156489 /nfs/dbraw/zinc/15/64/89/848156489.db2.gz OUZFRMWTAAPPSS-UHFFFAOYSA-N -1 3 380.411 3.581 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135577173 848156497 /nfs/dbraw/zinc/15/64/97/848156497.db2.gz OUZFRMWTAAPPSS-UHFFFAOYSA-N -1 3 380.411 3.581 20 30 GHEDHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000299268635 850930123 /nfs/dbraw/zinc/93/01/23/850930123.db2.gz QSOGPBHKXMHILY-ZFVWIKOCSA-N -1 3 381.476 3.519 20 30 GHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1Cl ZINC000426832708 852465761 /nfs/dbraw/zinc/46/57/61/852465761.db2.gz JXPIAIKFISXXST-GOSISDBHSA-N -1 3 379.815 3.968 20 30 GHEDHM N#Cc1ccc(C2CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)nc1 ZINC000912929267 852895586 /nfs/dbraw/zinc/89/55/86/852895586.db2.gz BTOZKWIVESPGBB-UHFFFAOYSA-N -1 3 375.350 3.697 20 30 GHEDHM CCC[C@@H]1CCc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)sc2C1 ZINC000109767426 856368125 /nfs/dbraw/zinc/36/81/25/856368125.db2.gz JGJMCBFNWSMUFM-CQSZACIVSA-N -1 3 398.532 3.796 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(Cl)c(F)c2)C1=O ZINC000766055594 862805427 /nfs/dbraw/zinc/80/54/27/862805427.db2.gz LXDOBFNMCJRKSK-GOSISDBHSA-N -1 3 383.851 3.795 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000015537274 856754929 /nfs/dbraw/zinc/75/49/29/856754929.db2.gz IWINSEQBWGLEQD-FQEVSTJZSA-N -1 3 383.879 3.717 20 30 GHEDHM C=C1CC(c2noc([C@H](CCSC)[N-]S(=O)(=O)c3ccc(C)cc3)n2)C1 ZINC000906130293 856840994 /nfs/dbraw/zinc/84/09/94/856840994.db2.gz ZFZCBGHOBFHQNY-INIZCTEOSA-N -1 3 393.534 3.584 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1cccc(C(F)(F)F)c1 ZINC000509215533 862900673 /nfs/dbraw/zinc/90/06/73/862900673.db2.gz AOEVHIHBHUUKQV-QGZVFWFLSA-N -1 3 391.374 3.797 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000174639217 857355501 /nfs/dbraw/zinc/35/55/01/857355501.db2.gz WRYIYYLZQUKLAQ-VXOKYEDTSA-N -1 3 397.906 3.963 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F ZINC000594868816 858291790 /nfs/dbraw/zinc/29/17/90/858291790.db2.gz UBAOJTPEABXBIR-UHFFFAOYSA-N -1 3 388.333 3.890 20 30 GHEDHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000172871814 858340403 /nfs/dbraw/zinc/34/04/03/858340403.db2.gz BLJNKOQKXXDRLQ-IBGZPJMESA-N -1 3 379.504 3.584 20 30 GHEDHM Cc1ccsc1[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428272828 858511519 /nfs/dbraw/zinc/51/15/19/858511519.db2.gz XEURWEHOZKUREX-MRXNPFEDSA-N -1 3 383.498 3.586 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C3CCC3)cc2)ccc1F ZINC001128452580 858523934 /nfs/dbraw/zinc/52/39/34/858523934.db2.gz CKGLFBAKXCVZPJ-UHFFFAOYSA-N -1 3 388.464 3.810 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cc(Cl)ccc1F ZINC001127841597 859869756 /nfs/dbraw/zinc/86/97/56/859869756.db2.gz PRAGABQBROJISN-GFCCVEGCSA-N -1 3 375.831 3.878 20 30 GHEDHM C=CCCC[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000765446575 859972967 /nfs/dbraw/zinc/97/29/67/859972967.db2.gz TYADNJPPEYVNBY-ZDUSSCGKSA-N -1 3 380.441 3.856 20 30 GHEDHM CC(C)(C)OC(=O)N(CC/N=C\c1cc(Br)ccc1[O-])C1CC1 ZINC000727265428 860020096 /nfs/dbraw/zinc/02/00/96/860020096.db2.gz PEVQUOMPGIANSO-ODLFYWEKSA-N -1 3 383.286 3.973 20 30 GHEDHM N#CC1(c2ccc(CN[C@@H](C(=O)[O-])c3csc(Br)c3)cc2)CC1 ZINC000904071730 860096182 /nfs/dbraw/zinc/09/61/82/860096182.db2.gz HLOGJCXBCFZENK-OAHLLOKOSA-N -1 3 391.290 3.981 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000020014536 860464967 /nfs/dbraw/zinc/46/49/67/860464967.db2.gz UCXBQTQQJNQWIK-QHCPKHFHSA-N -1 3 399.494 3.896 20 30 GHEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000598684536 860501951 /nfs/dbraw/zinc/50/19/51/860501951.db2.gz QGASZRRYXMUKMT-UHFFFAOYSA-N -1 3 390.361 3.966 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1c(Cl)cccc1Cl ZINC000155896129 860631371 /nfs/dbraw/zinc/63/13/71/860631371.db2.gz RAGVYUKGHAVWIR-UHFFFAOYSA-N -1 3 378.259 3.766 20 30 GHEDHM Cc1ncc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)cc1C#N ZINC000392671886 860808745 /nfs/dbraw/zinc/80/87/45/860808745.db2.gz MVXYCZILLKSWAF-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM C=CCOc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000176435319 860875553 /nfs/dbraw/zinc/87/55/53/860875553.db2.gz QFOXPCKRXJXJAT-UHFFFAOYSA-N -1 3 378.222 3.980 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000734115122 864004765 /nfs/dbraw/zinc/00/47/65/864004765.db2.gz UBLQTWCHEXRLPU-ZDUSSCGKSA-N -1 3 380.473 3.695 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)cc1 ZINC000793124383 881933049 /nfs/dbraw/zinc/93/30/49/881933049.db2.gz LJMMNHOQOSXWOD-SFHVURJKSA-N -1 3 392.459 3.569 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)s3)no2)ccc1F ZINC000445555471 868617370 /nfs/dbraw/zinc/61/73/70/868617370.db2.gz BVPAWPUCQWEQNA-UHFFFAOYSA-N -1 3 399.856 3.722 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccccc2Br)no1 ZINC000460135866 870203461 /nfs/dbraw/zinc/20/34/61/870203461.db2.gz DFMJKGZINRIPNE-UHFFFAOYSA-N -1 3 399.248 3.873 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)cc(Br)c1[O-] ZINC000920832101 882398928 /nfs/dbraw/zinc/39/89/28/882398928.db2.gz FHCCUYYHUBIPRU-SREVYHEPSA-N -1 3 379.254 3.800 20 30 GHEDHM Cc1c(C(=O)Nc2ccc([O-])c(C#N)c2)cnn1-c1ccc(Br)cc1 ZINC001192835031 870718874 /nfs/dbraw/zinc/71/88/74/870718874.db2.gz YCRVRYBNLTVQJG-UHFFFAOYSA-N -1 3 397.232 3.773 20 30 GHEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000617784320 870885786 /nfs/dbraw/zinc/88/57/86/870885786.db2.gz QSZBVVPZAUOVNW-GFCCVEGCSA-N -1 3 375.266 3.719 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N=Cc3cccc(O)c3O)cc2)cc1 ZINC000920943432 882465699 /nfs/dbraw/zinc/46/56/99/882465699.db2.gz ISQDKDVCVSLPQP-UHFFFAOYSA-N -1 3 382.441 3.958 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000443338181 871321084 /nfs/dbraw/zinc/32/10/84/871321084.db2.gz DZOIEQXEHSFTGY-JQWIXIFHSA-N -1 3 380.819 3.859 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c(F)c1F ZINC001194371525 871643145 /nfs/dbraw/zinc/64/31/45/871643145.db2.gz GADBNBHNSRCGIA-UHFFFAOYSA-N -1 3 395.774 3.544 20 30 GHEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)n1 ZINC000447494758 871700295 /nfs/dbraw/zinc/70/02/95/871700295.db2.gz AXTGZBWVGABQMI-UHFFFAOYSA-N -1 3 397.394 3.524 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1C(F)(F)F ZINC000443409961 872268085 /nfs/dbraw/zinc/26/80/85/872268085.db2.gz PPNTUCHALSUFMN-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[n-]n1 ZINC000540976297 872638119 /nfs/dbraw/zinc/63/81/19/872638119.db2.gz PRELWLXSVPVTRJ-UHFFFAOYSA-N -1 3 392.440 3.862 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)n[n-]1 ZINC000540976297 872638124 /nfs/dbraw/zinc/63/81/24/872638124.db2.gz PRELWLXSVPVTRJ-UHFFFAOYSA-N -1 3 392.440 3.862 20 30 GHEDHM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000767656735 872739876 /nfs/dbraw/zinc/73/98/76/872739876.db2.gz ISYAJFGBXNZABC-HNNXBMFYSA-N -1 3 386.370 3.978 20 30 GHEDHM COc1cc(C(=O)/C=C\c2ccc(Br)cc2[N+](=O)[O-])ccc1[O-] ZINC000767718843 872783130 /nfs/dbraw/zinc/78/31/30/872783130.db2.gz XYSBVQAYXHXQPM-UTCJRWHESA-N -1 3 378.178 3.968 20 30 GHEDHM COc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc(OC)c1[O-] ZINC000163132509 873226182 /nfs/dbraw/zinc/22/61/82/873226182.db2.gz AXVJNCZHLCBWTG-GFCCVEGCSA-N -1 3 381.215 3.711 20 30 GHEDHM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000102595908 873297166 /nfs/dbraw/zinc/29/71/66/873297166.db2.gz QDYDJFSEFGYVNY-HNNXBMFYSA-N -1 3 396.809 3.934 20 30 GHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(F)ccc1C(F)(F)F ZINC001196701963 873310904 /nfs/dbraw/zinc/31/09/04/873310904.db2.gz PFPBUOHZSNOMAZ-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(C3CCC3)n2)c(C)c1[O-] ZINC001197873776 874085260 /nfs/dbraw/zinc/08/52/60/874085260.db2.gz VGIVVYZGARNBAZ-UHFFFAOYSA-N -1 3 379.416 3.664 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(-c4ccc(F)cc4F)n3)nc21 ZINC000464627937 874202233 /nfs/dbraw/zinc/20/22/33/874202233.db2.gz HKVMUFODSQXATB-CYBMUJFWSA-N -1 3 377.354 3.825 20 30 GHEDHM CCOc1cc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc(Cl)c1[O-] ZINC000550957715 882910170 /nfs/dbraw/zinc/91/01/70/882910170.db2.gz MUXWXAFKRXLTEQ-SFHVURJKSA-N -1 3 385.895 3.654 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(NC(C)=O)c2)cc1 ZINC000528920118 875272206 /nfs/dbraw/zinc/27/22/06/875272206.db2.gz RDYCBDXEUVXGSI-ACJLOTCBSA-N -1 3 378.432 3.515 20 30 GHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000173166014 876223261 /nfs/dbraw/zinc/22/32/61/876223261.db2.gz ZXNDSFQDYACYAY-VIFPVBQESA-N -1 3 397.132 3.763 20 30 GHEDHM N#Cc1ccc(C2(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000530061121 877059747 /nfs/dbraw/zinc/05/97/47/877059747.db2.gz STYBBLHARUTBIM-UHFFFAOYSA-N -1 3 390.361 3.718 20 30 GHEDHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[n-]1 ZINC000551597996 877515063 /nfs/dbraw/zinc/51/50/63/877515063.db2.gz HEHMQDUAMCACLL-UHFFFAOYSA-N -1 3 379.347 3.857 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)C[C@@H](C#N)c2c(Cl)cccc2Cl)[n-]1 ZINC001183101110 912285070 /nfs/dbraw/zinc/28/50/70/912285070.db2.gz QVTQIPXJGKRISQ-VIFPVBQESA-N -1 3 381.219 3.529 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)C[C@@H](C#N)c2c(Cl)cccc2Cl)c[n-]1 ZINC001183101110 912285100 /nfs/dbraw/zinc/28/51/00/912285100.db2.gz QVTQIPXJGKRISQ-VIFPVBQESA-N -1 3 381.219 3.529 20 30 GHEDHM Cc1c(Br)c(C)n(N=Cc2c([O-])ccc3ccccc32)c(=O)c1C#N ZINC000788453630 878077674 /nfs/dbraw/zinc/07/76/74/878077674.db2.gz JIPCYAKLMINMEJ-UHFFFAOYSA-N -1 3 396.244 3.840 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cccc(I)c2)ccc1[O-] ZINC000789129499 878614509 /nfs/dbraw/zinc/61/45/09/878614509.db2.gz FSVLTRQJNNZGGU-FNORWQNLSA-N -1 3 380.181 3.902 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(Br)c(Cl)s1 ZINC000790160109 879498939 /nfs/dbraw/zinc/49/89/39/879498939.db2.gz UUAZREKQLJITMM-UHFFFAOYSA-N -1 3 393.715 3.618 20 30 GHEDHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)OCC#Cc1ccccc1 ZINC000791320709 880328407 /nfs/dbraw/zinc/32/84/07/880328407.db2.gz BTELJAWPPKPKHC-HSZRJFAPSA-N -1 3 399.446 3.848 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000175319939 883604467 /nfs/dbraw/zinc/60/44/67/883604467.db2.gz BSTJYEWPHHSGJN-UHFFFAOYSA-N -1 3 395.440 3.650 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccc(Br)cc3)CCC2)c1[O-] ZINC000918712589 884215376 /nfs/dbraw/zinc/21/53/76/884215376.db2.gz CHVIPHASMAUAEE-UFFVCSGVSA-N -1 3 389.293 3.891 20 30 GHEDHM N#Cc1cccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000556327857 884481887 /nfs/dbraw/zinc/48/18/87/884481887.db2.gz CMQSSELAQXWOOJ-UHFFFAOYSA-N -1 3 393.204 3.823 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000860472283 884712075 /nfs/dbraw/zinc/71/20/75/884712075.db2.gz GYFOTAXLJZZZFB-HWZVDDMOSA-N -1 3 396.487 3.969 20 30 GHEDHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000914890977 885115432 /nfs/dbraw/zinc/11/54/32/885115432.db2.gz FZPFPGXKKZPJOQ-LBPRGKRZSA-N -1 3 385.420 3.861 20 30 GHEDHM C[C@@H]1C[C@H](C)CN(c2ccc(C([O-])=C(C#N)c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000122656648 885504249 /nfs/dbraw/zinc/50/42/49/885504249.db2.gz PZZGBACKIKLIFA-UXLLHSPISA-N -1 3 378.432 3.962 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(OCc3cccnc3)cc2)c1[O-] ZINC000915271118 886191843 /nfs/dbraw/zinc/19/18/43/886191843.db2.gz KPAAZXBGYCHCIV-WWPWHYENSA-N -1 3 377.444 3.742 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc3ccccc3nc2Br)c1 ZINC000762504552 886286270 /nfs/dbraw/zinc/28/62/70/886286270.db2.gz JMKGLTJZRMVKGK-UHFFFAOYSA-N -1 3 388.246 3.670 20 30 GHEDHM CCN(CC)c1ccnc(N=NC(C)c2ccc(Br)cc2[O-])n1 ZINC000762607029 886525940 /nfs/dbraw/zinc/52/59/40/886525940.db2.gz KBKZDQYLNVVKDA-UHFFFAOYSA-N -1 3 378.274 3.627 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808979147 886959882 /nfs/dbraw/zinc/95/98/82/886959882.db2.gz FZYPUABLXDVANX-NSHDSACASA-N -1 3 385.704 3.854 20 30 GHEDHM CCCCCCN([O-])C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001184305571 913117061 /nfs/dbraw/zinc/11/70/61/913117061.db2.gz MGHJTOYYBFHAEU-UHFFFAOYSA-N -1 3 396.553 3.502 20 30 GHEDHM CCC[C@H](C)c1noc([C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000809361115 887366778 /nfs/dbraw/zinc/36/67/78/887366778.db2.gz KFNRCLGTHGUYDT-DZGCQCFKSA-N -1 3 390.509 3.799 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1 ZINC000119641440 887392164 /nfs/dbraw/zinc/39/21/64/887392164.db2.gz QDWDMOOGOKPXCD-FZKQIMNGSA-N -1 3 397.500 3.859 20 30 GHEDHM COc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c(OC(F)F)c1 ZINC000763105404 887666861 /nfs/dbraw/zinc/66/68/61/887666861.db2.gz QEIRHRULYFNNNT-FNORWQNLSA-N -1 3 380.343 3.916 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccc(Br)s3)CCC2)c1[O-] ZINC000794678964 887751818 /nfs/dbraw/zinc/75/18/18/887751818.db2.gz CURVOSQKMXOGMR-UWVJOHFNSA-N -1 3 395.322 3.953 20 30 GHEDHM C=CCCn1cc(C(=O)[N-]c2nnc(-c3ccc(C(F)(F)F)cc3)s2)nn1 ZINC001131988903 888037771 /nfs/dbraw/zinc/03/77/71/888037771.db2.gz RJCYCKNFXVDBKN-UHFFFAOYSA-N -1 3 394.382 3.644 20 30 GHEDHM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1cc(F)c(F)c(F)c1 ZINC001132211851 888402192 /nfs/dbraw/zinc/40/21/92/888402192.db2.gz UBPZZEWWBIUDSZ-UHFFFAOYSA-N -1 3 377.216 3.862 20 30 GHEDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccccc3C#N)nc(=O)c2c1C ZINC000120796169 888625425 /nfs/dbraw/zinc/62/54/25/888625425.db2.gz XPOYTODFFBMIHI-GHXNOFRVSA-N -1 3 385.832 3.688 20 30 GHEDHM C[C@@H](N[C@@H](CCO)c1ccccc1Br)c1cccc(C#N)c1[O-] ZINC000866335095 888835637 /nfs/dbraw/zinc/83/56/37/888835637.db2.gz DNECHLPBQYINOI-PXAZEXFGSA-N -1 3 375.266 3.801 20 30 GHEDHM C=CCOc1ccccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916320035 888921052 /nfs/dbraw/zinc/92/10/52/888921052.db2.gz WTFNVIHYIDQRRE-SFHVURJKSA-N -1 3 394.456 3.526 20 30 GHEDHM Fc1cccc(Cl)c1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916320792 888922037 /nfs/dbraw/zinc/92/20/37/888922037.db2.gz KDQNUMLCGLFIEH-HNNXBMFYSA-N -1 3 390.827 3.754 20 30 GHEDHM C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321972 913320356 /nfs/dbraw/zinc/32/03/56/913320356.db2.gz NXENBCNWMXOJCS-IBGZPJMESA-N -1 3 397.302 3.616 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000811183936 889270557 /nfs/dbraw/zinc/27/05/57/889270557.db2.gz BVGHYOCLNMGVGH-UHFFFAOYSA-N -1 3 386.407 3.650 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000811186652 889271687 /nfs/dbraw/zinc/27/16/87/889271687.db2.gz SQYXNEOJHRUPNT-UHFFFAOYSA-N -1 3 386.407 3.654 20 30 GHEDHM N#CC(=C([O-])C(=Cc1cccs1)n1nnnc1-c1ccccc1)c1ccccn1 ZINC000916881559 890324149 /nfs/dbraw/zinc/32/41/49/890324149.db2.gz DEBFIYCLVZZXDC-AMRJIULGSA-N -1 3 398.451 3.671 20 30 GHEDHM COc1cc(C=NNc2ccc(F)cc2Br)c([N+](=O)[O-])cc1[O-] ZINC000812465344 890655718 /nfs/dbraw/zinc/65/57/18/890655718.db2.gz IRADFRAWSNRUNI-UHFFFAOYSA-N -1 3 384.161 3.657 20 30 GHEDHM C[C@@H](Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1)c1ccccc1 ZINC000917509934 892109561 /nfs/dbraw/zinc/10/95/61/892109561.db2.gz VJYRDDLOHXEUFK-CRAIPNDOSA-N -1 3 386.411 3.578 20 30 GHEDHM Cc1cc(C(=O)NC2CCCCC2)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000917556751 892204094 /nfs/dbraw/zinc/20/40/94/892204094.db2.gz KWSAGRPAFUOACE-UHFFFAOYSA-N -1 3 381.476 3.709 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000814054049 892222100 /nfs/dbraw/zinc/22/21/00/892222100.db2.gz YHZJQVOHZOVMPZ-PXNSSMCTSA-N -1 3 380.444 3.672 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2ccc(F)c(F)c2F)c(C)c1[O-] ZINC001185331480 913819738 /nfs/dbraw/zinc/81/97/38/913819738.db2.gz SEYTYRCFWTWODM-UHFFFAOYSA-N -1 3 393.321 3.810 20 30 GHEDHM CC(=O)c1cc(Cl)cc(CN2CCCN(c3ccccc3C#N)CC2)c1[O-] ZINC000748049960 894597665 /nfs/dbraw/zinc/59/76/65/894597665.db2.gz YNJMIAYNSFMHES-UHFFFAOYSA-N -1 3 383.879 3.832 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000816503889 894883422 /nfs/dbraw/zinc/88/34/22/894883422.db2.gz QIPQSLFNYINVPP-UHFFFAOYSA-N -1 3 379.325 3.919 20 30 GHEDHM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)(C)C#N ZINC000131380655 897427271 /nfs/dbraw/zinc/42/72/71/897427271.db2.gz RGQLMYBQIBOJRO-ZDUSSCGKSA-N -1 3 390.436 3.722 20 30 GHEDHM N#C[C@H](NC(=O)CCCCCCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001185930603 914210746 /nfs/dbraw/zinc/21/07/46/914210746.db2.gz XYWRVMYDIZOCJV-FQEVSTJZSA-N -1 3 393.487 3.844 20 30 GHEDHM N#Cc1cccc(-c2nnc(CSc3cccc(Cl)c3-c3nnn[n-]3)o2)c1 ZINC000826386867 899181096 /nfs/dbraw/zinc/18/10/96/899181096.db2.gz VZYUMNHZIXHXFE-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1cccc(-c2nnc(CSc3cccc(Cl)c3-c3nn[n-]n3)o2)c1 ZINC000826386867 899181108 /nfs/dbraw/zinc/18/11/08/899181108.db2.gz VZYUMNHZIXHXFE-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823894379 899309005 /nfs/dbraw/zinc/30/90/05/899309005.db2.gz OPXLCHRYTUAURI-AWEZNQCLSA-N -1 3 381.436 3.513 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823894379 899309017 /nfs/dbraw/zinc/30/90/17/899309017.db2.gz OPXLCHRYTUAURI-AWEZNQCLSA-N -1 3 381.436 3.513 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824059238 899366414 /nfs/dbraw/zinc/36/64/14/899366414.db2.gz PXUSLABWNDGDCT-UHFFFAOYSA-N -1 3 377.404 3.756 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824059238 899366426 /nfs/dbraw/zinc/36/64/26/899366426.db2.gz PXUSLABWNDGDCT-UHFFFAOYSA-N -1 3 377.404 3.756 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000332441071 899673009 /nfs/dbraw/zinc/67/30/09/899673009.db2.gz BYQWQJUQLBCCSE-SWLSCSKDSA-N -1 3 381.451 3.882 20 30 GHEDHM C=C(C)CO[N-]C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000846539239 903045359 /nfs/dbraw/zinc/04/53/59/903045359.db2.gz RTDJSBDJUHMFFX-UHFFFAOYSA-N -1 3 379.254 3.969 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(OC(C)C)cc2)c(C)c1[O-] ZINC001148399947 904067033 /nfs/dbraw/zinc/06/70/33/904067033.db2.gz OMVWDLPSQCSVLF-UHFFFAOYSA-N -1 3 382.416 3.789 20 30 GHEDHM CC(=O)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)nc1C ZINC000777297013 905615837 /nfs/dbraw/zinc/61/58/37/905615837.db2.gz PGRZQFNIGFSGEG-HNNXBMFYSA-N -1 3 387.798 3.655 20 30 GHEDHM N#CC(=C([O-])c1cccc(NC(=O)c2cccnc2)c1)c1cnc2ccccc2n1 ZINC000190901921 906405122 /nfs/dbraw/zinc/40/51/22/906405122.db2.gz NYUPSXXHXPYRPM-GOSISDBHSA-N -1 3 393.406 3.767 20 30 GHEDHM N#CC(=C([O-])c1cccc(I)c1)c1cnc2ccccc2n1 ZINC000190926231 906447186 /nfs/dbraw/zinc/44/71/86/906447186.db2.gz QFCUJTKYURKONI-CYBMUJFWSA-N -1 3 399.191 3.724 20 30 GHEDHM N#Cc1ccc(N2CCC[C@@H](/N=C/c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000779708421 908225776 /nfs/dbraw/zinc/22/57/76/908225776.db2.gz WPPYDDGNGUCLFB-ORWNMUSCSA-N -1 3 398.260 3.641 20 30 GHEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 ZINC001188361344 915929690 /nfs/dbraw/zinc/92/96/90/915929690.db2.gz CQPUHBLWMDCCSJ-AWEZNQCLSA-N -1 3 399.255 3.945 20 30 GHEDHM N#CCc1ccccc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC001188655782 916079570 /nfs/dbraw/zinc/07/95/70/916079570.db2.gz FTFMINJVKARGAB-QGZVFWFLSA-N -1 3 382.407 3.595 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)[n-]1 ZINC001188696701 916119196 /nfs/dbraw/zinc/11/91/96/916119196.db2.gz PTCHGSGBCBKBBC-UHFFFAOYSA-N -1 3 378.363 3.516 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)c[n-]1 ZINC001188696701 916119202 /nfs/dbraw/zinc/11/92/02/916119202.db2.gz PTCHGSGBCBKBBC-UHFFFAOYSA-N -1 3 378.363 3.516 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(F)c1 ZINC001189104368 916404889 /nfs/dbraw/zinc/40/48/89/916404889.db2.gz RZWXSKFDHMILBJ-UHFFFAOYSA-N -1 3 397.855 3.806 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(Cc3ccccc3F)CCC2)c1 ZINC001190677337 917506700 /nfs/dbraw/zinc/50/67/00/917506700.db2.gz MWEMZNAJGLIHHK-UHFFFAOYSA-N -1 3 376.428 3.528 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(Cc3ccccc3Cl)CC2)c1 ZINC001190676996 917506740 /nfs/dbraw/zinc/50/67/40/917506740.db2.gz GOMUEBYSBHTQSD-UHFFFAOYSA-N -1 3 378.856 3.652 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000363052729 917687908 /nfs/dbraw/zinc/68/79/08/917687908.db2.gz DNZZCYIVIBOCSN-BEFAXECRSA-N -1 3 377.488 3.861 20 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/nfs/dbraw/zinc/47/58/51/923475851.db2.gz TUSKXXNFTQENTA-DNTJNYDQSA-N -1 3 389.228 3.553 20 30 GHEDHM CON(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCOc2ccccc21 ZINC000370611973 924204579 /nfs/dbraw/zinc/20/45/79/924204579.db2.gz GRIWGWLTOUBJGR-IBGZPJMESA-N -1 3 395.459 3.512 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)C[C@@H](C)C3)c(=O)[n-]1 ZINC000411010789 925990380 /nfs/dbraw/zinc/99/03/80/925990380.db2.gz KXLRANQGVNTEMZ-MNOVXSKESA-N -1 3 384.505 3.989 20 30 GHEDHM Cc1ccccc1[C@@]1(F)CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000374286973 926982708 /nfs/dbraw/zinc/98/27/08/926982708.db2.gz ILVJVMDSFYSUMJ-JOCHJYFZSA-N -1 3 381.451 3.614 20 30 GHEDHM COc1cccc([C@H]2C[C@H](C)CN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000374593324 927319113 /nfs/dbraw/zinc/31/91/13/927319113.db2.gz IRQDOWAIXAOXAF-LHSJRXKWSA-N -1 3 393.487 3.827 20 30 GHEDHM C#CC[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000750775038 927841859 /nfs/dbraw/zinc/84/18/59/927841859.db2.gz MEJHYTPMJLYQAM-LJQANCHMSA-N -1 3 387.432 3.585 20 30 GHEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000012957006 928282470 /nfs/dbraw/zinc/28/24/70/928282470.db2.gz XAIIMJOYJSAGMZ-GFCCVEGCSA-N -1 3 381.457 3.710 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ncccc2[O-])cc1F ZINC000467931389 929606408 /nfs/dbraw/zinc/60/64/08/929606408.db2.gz XEVLZKGILMUKMT-UHFFFAOYSA-N -1 3 378.363 3.912 20 30 GHEDHM C#CC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccccc1 ZINC000757621605 929748089 /nfs/dbraw/zinc/74/80/89/929748089.db2.gz HCFHACPGYSJWML-INIZCTEOSA-N -1 3 395.256 3.785 20 30 GHEDHM C=CCn1c2ccccc2n2nc(C)c(C(C)=N[N-]c3ncccc3[N+](=O)[O-])c12 ZINC000759201015 930306331 /nfs/dbraw/zinc/30/63/31/930306331.db2.gz KISLWQDVAYZPMT-UHFFFAOYSA-N -1 3 389.419 3.923 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CCCCC2)c1C ZINC000781447204 930850320 /nfs/dbraw/zinc/85/03/20/930850320.db2.gz DXIQHJULYHBNPT-INIZCTEOSA-N -1 3 380.448 3.667 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1sccc1Cl ZINC000782152493 931103158 /nfs/dbraw/zinc/10/31/58/931103158.db2.gz QXWQTVBGAASEMJ-GFCCVEGCSA-N -1 3 378.866 3.676 20 30 GHEDHM COc1cc(C(C)=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccn1 ZINC000782219107 931126931 /nfs/dbraw/zinc/12/69/31/931126931.db2.gz CSZUZCSDTNVEIQ-UHFFFAOYSA-N -1 3 396.472 3.727 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])C=Cc1ccc(C(=O)OC(C)(C)C)o1 ZINC001123336281 935164556 /nfs/dbraw/zinc/16/45/56/935164556.db2.gz GCEYFTTXSWQXTO-HOSRBBHYSA-N -1 3 375.812 3.511 20 30 GHEDHM Cc1cc(C)nc(Nc2ccc([O-])c(C(=O)N3CCc4ccc(C#N)cc43)c2)n1 ZINC001138025499 935934251 /nfs/dbraw/zinc/93/42/51/935934251.db2.gz KTOAMWPZEZKMJJ-UHFFFAOYSA-N -1 3 385.427 3.617 20 30 GHEDHM C#CCN(C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)[C@H]1CCCc2ccccc21 ZINC001573283351 946712180 /nfs/dbraw/zinc/71/21/80/946712180.db2.gz RKZIBQAWACQECU-QFIPXVFZSA-N -1 3 399.498 3.565 20 30 GHEDHM C#CCN(C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)[C@H]1CCCc2ccccc21 ZINC001573283351 946712187 /nfs/dbraw/zinc/71/21/87/946712187.db2.gz RKZIBQAWACQECU-QFIPXVFZSA-N -1 3 399.498 3.565 20 30 GHEDHM C#CCOc1cccc(Oc2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)c1 ZINC001573290375 946903635 /nfs/dbraw/zinc/90/36/35/946903635.db2.gz XUYISTHIELJKST-UHFFFAOYSA-N -1 3 397.316 3.637 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001573294890 947002845 /nfs/dbraw/zinc/00/28/45/947002845.db2.gz LVCGGFJJVCNQHO-QAPCUYQASA-N -1 3 392.511 3.716 20 30 GHEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001573294890 947002859 /nfs/dbraw/zinc/00/28/59/947002859.db2.gz LVCGGFJJVCNQHO-QAPCUYQASA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCC[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001573335497 947480233 /nfs/dbraw/zinc/48/02/33/947480233.db2.gz PSQAHARMSVYBMR-KRWDZBQOSA-N -1 3 378.432 3.921 20 30 GHEDHM C=CCCC[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001573335497 947480243 /nfs/dbraw/zinc/48/02/43/947480243.db2.gz PSQAHARMSVYBMR-KRWDZBQOSA-N -1 3 378.432 3.921 20 30 GHEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573348172 947580703 /nfs/dbraw/zinc/58/07/03/947580703.db2.gz NLIULHDHZOJTOI-UHFFFAOYSA-N -1 3 391.431 3.570 20 30 GHEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573348172 947580710 /nfs/dbraw/zinc/58/07/10/947580710.db2.gz NLIULHDHZOJTOI-UHFFFAOYSA-N -1 3 391.431 3.570 20 30 GHEDHM CC(C)Oc1ccc(CC[C@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001574692702 949036800 /nfs/dbraw/zinc/03/68/00/949036800.db2.gz AQJJIWUULUWZQM-HNNXBMFYSA-N -1 3 376.464 3.959 20 30 GHEDHM CC(C)Oc1ccc(CC[C@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001574692702 949036815 /nfs/dbraw/zinc/03/68/15/949036815.db2.gz AQJJIWUULUWZQM-HNNXBMFYSA-N -1 3 376.464 3.959 20 30 GHEDHM O=[N+]([O-])c1ccc2ncc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)nc2c1 ZINC001155909151 1032784136 /nfs/dbraw/zinc/78/41/36/1032784136.db2.gz JBLMEWVEHBZJGE-UHFFFAOYSA-N -1 3 393.281 3.685 20 30 GHEDHM CC(C)(C)NC(=O)c1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001155914529 1032791240 /nfs/dbraw/zinc/79/12/40/1032791240.db2.gz VCBSLTZCEPUTML-UHFFFAOYSA-N -1 3 396.369 3.756 20 30 GHEDHM N#Cc1ccnc(N2CCC(Oc3cc(-c4ccccc4)nc(=S)[n-]3)CC2)c1 ZINC001228346316 1032901051 /nfs/dbraw/zinc/90/10/51/1032901051.db2.gz FKHMUQNDCDBDRY-UHFFFAOYSA-N -1 3 389.484 3.747 20 30 GHEDHM COC(=O)c1c(F)ccc(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)c1F ZINC001204712552 1033039734 /nfs/dbraw/zinc/03/97/34/1033039734.db2.gz ATUCWRDXPHOMMV-LSFURLLWSA-N -1 3 391.374 3.606 20 30 GHEDHM CCSc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)ccn1 ZINC000755603008 1023309845 /nfs/dbraw/zinc/30/98/45/1023309845.db2.gz HJJAXCQWDLSECW-ZDUSSCGKSA-N -1 3 389.864 3.817 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2ccc3c[nH]nc3c2)cc1 ZINC000755683841 1023334858 /nfs/dbraw/zinc/33/48/58/1023334858.db2.gz VDFIZBMXDYZIMD-UHFFFAOYSA-N -1 3 391.456 3.810 20 30 GHEDHM O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755682299 1023334984 /nfs/dbraw/zinc/33/49/84/1023334984.db2.gz 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N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1NCCCc1c[n-][nH]c1=O ZINC001164375773 1026498337 /nfs/dbraw/zinc/49/83/37/1026498337.db2.gz VTMXKBUSPBYBEJ-VIFPVBQESA-N -1 3 395.772 3.703 20 30 GHEDHM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142111782 1028143290 /nfs/dbraw/zinc/14/32/90/1028143290.db2.gz YKNRWKBQAMBMFQ-KRWDZBQOSA-N -1 3 382.291 3.735 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(Cc3nc(C4CC4)cs3)nc(=O)c2c1C ZINC000843271210 1029877033 /nfs/dbraw/zinc/87/70/33/1029877033.db2.gz BBBLSKLXGOVSIV-UHFFFAOYSA-N -1 3 387.486 3.561 20 30 GHEDHM N#Cc1c2c(sc1NC(=O)c1nc3cc(Br)ccc3[n-]1)CCC2 ZINC001151821452 1031018289 /nfs/dbraw/zinc/01/82/89/1031018289.db2.gz OYEUQMFNBUSOAG-UHFFFAOYSA-N -1 3 387.262 4.000 20 30 GHEDHM N#Cc1c2c(sc1NC(=O)c1nc3ccc(Br)cc3[n-]1)CCC2 ZINC001151821452 1031018306 /nfs/dbraw/zinc/01/83/06/1031018306.db2.gz OYEUQMFNBUSOAG-UHFFFAOYSA-N -1 3 387.262 4.000 20 30 GHEDHM CCOc1nnc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[n-]1 ZINC001152341757 1031199344 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20 30 GHEDHM CC(C)(C)c1csc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1C#N ZINC001205528121 1033454482 /nfs/dbraw/zinc/45/44/82/1033454482.db2.gz DHJUZJSHTYTIKQ-UHFFFAOYSA-N -1 3 381.465 3.665 20 30 GHEDHM C=CCC[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC001157222864 1033478871 /nfs/dbraw/zinc/47/88/71/1033478871.db2.gz QANKOWZFGZQBIY-JZXOWHBKSA-N -1 3 381.476 3.617 20 30 GHEDHM C=C[C@@H]1O[C@H](Oc2cc(C(=O)c3ccc(C)cc3)ccc2[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001229539691 1033548728 /nfs/dbraw/zinc/54/87/28/1033548728.db2.gz WSIXNIGIQNUCKE-AGOPTVSRSA-N -1 3 396.439 3.741 20 30 GHEDHM Cc1cc(S(=O)(=O)c2cc(C)c(O[C@@H]3C=CC(=O)C3)c(C)c2)cc(C)c1[O-] ZINC001231201059 1034460336 /nfs/dbraw/zinc/46/03/36/1034460336.db2.gz YNLWNXZOWYPTQP-QGZVFWFLSA-N -1 3 386.469 3.735 20 30 GHEDHM C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541468 1034763355 /nfs/dbraw/zinc/76/33/55/1034763355.db2.gz YHKSQSYTMVRUII-IBGZPJMESA-N -1 3 393.325 3.606 20 30 GHEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Br)c([O-])c1 ZINC001277550747 1034834776 /nfs/dbraw/zinc/83/47/76/1034834776.db2.gz FNQMTHKAHUESAR-IBGZPJMESA-N -1 3 393.325 3.688 20 30 GHEDHM CCCCCCN([O-])C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC001161819210 1035308393 /nfs/dbraw/zinc/30/83/93/1035308393.db2.gz OUSOXTGRPVTHQB-UHFFFAOYSA-N -1 3 377.510 3.905 20 30 GHEDHM N#CC1(c2cccnc2-c2cncc(C(=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC001241799737 1035704174 /nfs/dbraw/zinc/70/41/74/1035704174.db2.gz ATMMVGBXTJNHQJ-UHFFFAOYSA-N -1 3 398.466 3.899 20 30 GHEDHM COc1cc(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)c(Cl)c(OC)n1 ZINC001245747650 1036987485 /nfs/dbraw/zinc/98/74/85/1036987485.db2.gz CFUPUDYIJSIMCT-AWQFTUOYSA-N -1 3 392.843 3.607 20 30 GHEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277993297 1041801167 /nfs/dbraw/zinc/80/11/67/1041801167.db2.gz XFHAORQKGRQTBR-LJQANCHMSA-N -1 3 396.318 3.960 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(F)c1 ZINC001259395866 1045119948 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399.428 3.775 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1F ZINC001260897707 1045754960 /nfs/dbraw/zinc/75/49/60/1045754960.db2.gz VTJVIKILGBXICG-UHFFFAOYSA-N -1 3 394.296 3.936 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2cccnc2)cc1)c1nc(N)c2ccccc2n1 ZINC001263375850 1046761311 /nfs/dbraw/zinc/76/13/11/1046761311.db2.gz AJPHXIPTHMVBIA-SFHVURJKSA-N -1 3 381.395 3.889 20 30 GHEDHM N#CC1(c2ccc(C(=O)Nc3cc(C(=O)OCc4ccccc4)n[n-]3)cc2)CC1 ZINC001304565736 1047715019 /nfs/dbraw/zinc/71/50/19/1047715019.db2.gz MEESQDDQIZZUMR-UHFFFAOYSA-N -1 3 386.411 3.574 20 30 GHEDHM N#CC1(c2ccc(C(=O)Nc3cc(C(=O)OCc4ccccc4)[n-]n3)cc2)CC1 ZINC001304565736 1047715020 /nfs/dbraw/zinc/71/50/20/1047715020.db2.gz MEESQDDQIZZUMR-UHFFFAOYSA-N -1 3 386.411 3.574 20 30 GHEDHM C#CC[C@]1(C(=O)N([O-])Cc2ccccc2Cl)CCCN1C(=O)OC(C)(C)C ZINC001306895218 1048948833 /nfs/dbraw/zinc/94/88/33/1048948833.db2.gz WIGQZNRTWOWWQI-HXUWFJFHSA-N -1 3 392.883 3.851 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cnn(C2CCC2)c1 ZINC001342706404 1053310573 /nfs/dbraw/zinc/31/05/73/1053310573.db2.gz GJSAFRLWBUNYHF-OAHLLOKOSA-N -1 3 390.415 3.884 20 30 GHEDHM N#CC(=C([O-])c1cnnn1-c1c(Cl)cccc1Cl)c1cccc(F)n1 ZINC001343349431 1053720888 /nfs/dbraw/zinc/72/08/88/1053720888.db2.gz IBMKVCIEHBAIHL-SECBINFHSA-N -1 3 376.178 3.598 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(SC(C)(C)C)c1 ZINC001343463257 1053786009 /nfs/dbraw/zinc/78/60/09/1053786009.db2.gz OFDRTSINHCLEDW-CQSZACIVSA-N -1 3 383.473 3.942 20 30 GHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(N2CCN(C)CC2)c(F)c1 ZINC001317891525 1054293776 /nfs/dbraw/zinc/29/37/76/1054293776.db2.gz YBUCGIQSEKWEGK-WDGDVPDHSA-N -1 3 384.426 3.806 20 30 GHEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC001319218370 1055100322 /nfs/dbraw/zinc/10/03/22/1055100322.db2.gz GFJXJLSGYRVJMV-UHFFFAOYSA-N -1 3 387.358 3.700 20 30 GHEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cc(C#N)cs1 ZINC001319368537 1055208318 /nfs/dbraw/zinc/20/83/18/1055208318.db2.gz QEXPZIFADGJMRY-UHFFFAOYSA-N -1 3 382.470 3.530 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(c2ccccc2C)CC1 ZINC001339194125 1059002587 /nfs/dbraw/zinc/00/25/87/1059002587.db2.gz CEMYLLHZVINEMB-UHFFFAOYSA-N -1 3 390.491 3.628 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(c4ccon4)CC3)n2C)c1[O-] ZINC001341827610 1060913632 /nfs/dbraw/zinc/91/36/32/1060913632.db2.gz OWSHSSLKXDALBI-UHFFFAOYSA-N -1 3 379.464 3.678 20 30 GHEDHM N#Cc1ccc(F)c(C[N-]C(=O)C(F)(F)c2cccc(Br)c2)c1 ZINC001361133281 1061647030 /nfs/dbraw/zinc/64/70/30/1061647030.db2.gz MKZIIMJXPBMKEM-UHFFFAOYSA-N -1 3 383.167 3.868 20 30 GHEDHM CC(C)C[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC001458004794 1063502216 /nfs/dbraw/zinc/50/22/16/1063502216.db2.gz YXLNEPNIKULRQK-HXUWFJFHSA-N -1 3 394.471 3.720 20 30 GHEDHM C[C@@H]1[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001458009236 1063503343 /nfs/dbraw/zinc/50/33/43/1063503343.db2.gz QEYZMVNBAXRWNT-AEFFLSMTSA-N -1 3 376.497 3.873 20 30 GHEDHM N#Cc1cccc(C2([N-]C(=O)C(F)(F)c3ncccc3Br)CC2)c1 ZINC001459974927 1064312965 /nfs/dbraw/zinc/31/29/65/1064312965.db2.gz OLGUXTUBIMSFAE-UHFFFAOYSA-N -1 3 392.203 3.613 20 30 GHEDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C/N=C/c1cc(Cl)ccc1[O-])O2 ZINC000849172670 1067752345 /nfs/dbraw/zinc/75/23/45/1067752345.db2.gz XFTXPMVHAFUKIF-MNPVBQOISA-N -1 3 380.872 3.633 20 30 GHEDHM CCOc1nnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)[n-]1 ZINC001471298796 1073004593 /nfs/dbraw/zinc/00/45/93/1073004593.db2.gz WVKLWASJPXAZCL-UHFFFAOYSA-N -1 3 379.445 3.620 20 30 GHEDHM CCOc1nc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n[n-]1 ZINC001471298796 1073004604 /nfs/dbraw/zinc/00/46/04/1073004604.db2.gz WVKLWASJPXAZCL-UHFFFAOYSA-N -1 3 379.445 3.620 20 30 GHEDHM CCOc1n[n-]c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 ZINC001471298796 1073004614 /nfs/dbraw/zinc/00/46/14/1073004614.db2.gz WVKLWASJPXAZCL-UHFFFAOYSA-N -1 3 379.445 3.620 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)c2)cc1 ZINC001471810887 1073224370 /nfs/dbraw/zinc/22/43/70/1073224370.db2.gz HESVPDCLVAWVMZ-UHFFFAOYSA-N -1 3 386.411 3.654 20 30 GHEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(C)cccc1C#N)c1ccco1 ZINC001475080932 1074728475 /nfs/dbraw/zinc/72/84/75/1074728475.db2.gz OULDFSFKLOHBTI-IBGZPJMESA-N -1 3 382.441 3.536 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2C1 ZINC000001959634 209343798 /nfs/dbraw/zinc/34/37/98/209343798.db2.gz MMXJWKXUFPJIIB-SECBINFHSA-N -1 3 386.389 3.813 20 30 GHEDHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737215295 598917117 /nfs/dbraw/zinc/91/71/17/598917117.db2.gz ZLHDCSXUJASEIL-UHFFFAOYSA-N -1 3 378.779 3.699 20 30 GHEDHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737215295 598917118 /nfs/dbraw/zinc/91/71/18/598917118.db2.gz ZLHDCSXUJASEIL-UHFFFAOYSA-N -1 3 378.779 3.699 20 30 GHEDHM Cc1cccc(C2(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CCCCC2)c1 ZINC000737390689 598925942 /nfs/dbraw/zinc/92/59/42/598925942.db2.gz VHYPENXIVMULNR-UHFFFAOYSA-N -1 3 386.459 3.887 20 30 GHEDHM Cc1cccc(C2(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CCCCC2)c1 ZINC000737390689 598925944 /nfs/dbraw/zinc/92/59/44/598925944.db2.gz VHYPENXIVMULNR-UHFFFAOYSA-N -1 3 386.459 3.887 20 30 GHEDHM N#Cc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716916 598925958 /nfs/dbraw/zinc/92/59/58/598925958.db2.gz WSPWUSPJHWMWNQ-UHFFFAOYSA-N -1 3 387.230 3.616 20 30 GHEDHM N#Cc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716916 598925960 /nfs/dbraw/zinc/92/59/60/598925960.db2.gz WSPWUSPJHWMWNQ-UHFFFAOYSA-N -1 3 387.230 3.616 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1-c1nnn[n-]1 ZINC000737719531 598928785 /nfs/dbraw/zinc/92/87/85/598928785.db2.gz WAQLBEITPJTXMP-UHFFFAOYSA-N -1 3 390.472 3.782 20 30 GHEDHM N#Cc1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1-c1nn[n-]n1 ZINC000737719531 598928786 /nfs/dbraw/zinc/92/87/86/598928786.db2.gz WAQLBEITPJTXMP-UHFFFAOYSA-N -1 3 390.472 3.782 20 30 GHEDHM Fc1ccc2c(c1)CCC2=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737665723 598978384 /nfs/dbraw/zinc/97/83/84/598978384.db2.gz IOYNEOGFNVESKN-UHFFFAOYSA-N -1 3 376.317 3.787 20 30 GHEDHM Fc1ccc2c(c1)CCC2=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737665723 598978385 /nfs/dbraw/zinc/97/83/85/598978385.db2.gz IOYNEOGFNVESKN-UHFFFAOYSA-N -1 3 376.317 3.787 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822486528 599114584 /nfs/dbraw/zinc/11/45/84/599114584.db2.gz NDNPGQUMNSGQDX-LGMDPLHJSA-N -1 3 396.454 3.882 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822486528 599114585 /nfs/dbraw/zinc/11/45/85/599114585.db2.gz NDNPGQUMNSGQDX-LGMDPLHJSA-N -1 3 396.454 3.882 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(Br)c1 ZINC000823503885 599116810 /nfs/dbraw/zinc/11/68/10/599116810.db2.gz JYTBWWPGKGLNPK-MDWZMJQESA-N -1 3 381.233 3.842 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(Br)c1 ZINC000823503885 599116812 /nfs/dbraw/zinc/11/68/12/599116812.db2.gz JYTBWWPGKGLNPK-MDWZMJQESA-N -1 3 381.233 3.842 20 30 GHEDHM Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cccc1-c1nnn[n-]1 ZINC000822084352 607286376 /nfs/dbraw/zinc/28/63/76/607286376.db2.gz KDALGKQKPIPGJW-UHFFFAOYSA-N -1 3 389.463 3.737 20 30 GHEDHM Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cccc1-c1nn[n-]n1 ZINC000822084352 607286377 /nfs/dbraw/zinc/28/63/77/607286377.db2.gz KDALGKQKPIPGJW-UHFFFAOYSA-N -1 3 389.463 3.737 20 30 GHEDHM COc1cccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737122570 598314370 /nfs/dbraw/zinc/31/43/70/598314370.db2.gz UVKVBMGXABWAMS-UHFFFAOYSA-N -1 3 376.342 3.730 20 30 GHEDHM COc1cccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737122570 598314372 /nfs/dbraw/zinc/31/43/72/598314372.db2.gz UVKVBMGXABWAMS-UHFFFAOYSA-N -1 3 376.342 3.730 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)N[C@@H](C)c1cccs1 ZINC000735420836 598323370 /nfs/dbraw/zinc/32/33/70/598323370.db2.gz UORJWIVLUPUDGW-ZDUSSCGKSA-N -1 3 384.534 3.552 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)N[C@@H](C)c1cccs1 ZINC000735420836 598323372 /nfs/dbraw/zinc/32/33/72/598323372.db2.gz UORJWIVLUPUDGW-ZDUSSCGKSA-N -1 3 384.534 3.552 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000735421057 598493261 /nfs/dbraw/zinc/49/32/61/598493261.db2.gz XBDCDXZSTYBONH-LJQANCHMSA-N -1 3 387.487 3.892 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000735421057 598493262 /nfs/dbraw/zinc/49/32/62/598493262.db2.gz XBDCDXZSTYBONH-LJQANCHMSA-N -1 3 387.487 3.892 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000737674227 598536840 /nfs/dbraw/zinc/53/68/40/598536840.db2.gz GZDVUYVDZJHMAS-HVHJFMEUSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000737674227 598536842 /nfs/dbraw/zinc/53/68/42/598536842.db2.gz GZDVUYVDZJHMAS-HVHJFMEUSA-N -1 3 399.241 3.568 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737728002 598572595 /nfs/dbraw/zinc/57/25/95/598572595.db2.gz WGYZCJIGBUBJED-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737728002 598572596 /nfs/dbraw/zinc/57/25/96/598572596.db2.gz WGYZCJIGBUBJED-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390886 598591283 /nfs/dbraw/zinc/59/12/83/598591283.db2.gz HGEQOQAYDZXKCW-UHFFFAOYSA-N -1 3 385.452 3.757 20 30 GHEDHM C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390886 598591285 /nfs/dbraw/zinc/59/12/85/598591285.db2.gz HGEQOQAYDZXKCW-UHFFFAOYSA-N -1 3 385.452 3.757 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2OCC2CC2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203269 598640735 /nfs/dbraw/zinc/64/07/35/598640735.db2.gz STQQEBDOHBYEIO-ZHACJKMWSA-N -1 3 389.459 3.608 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2OCC2CC2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203269 598640738 /nfs/dbraw/zinc/64/07/38/598640738.db2.gz STQQEBDOHBYEIO-ZHACJKMWSA-N -1 3 389.459 3.608 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737730362 598647899 /nfs/dbraw/zinc/64/78/99/598647899.db2.gz JFSRKUMXGCWUES-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737730362 598647901 /nfs/dbraw/zinc/64/79/01/598647901.db2.gz JFSRKUMXGCWUES-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C=CCc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1OC ZINC000735443187 598667359 /nfs/dbraw/zinc/66/73/59/598667359.db2.gz SERFHVCQIBRFDE-UHFFFAOYSA-N -1 3 385.855 3.878 20 30 GHEDHM C=CCc1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1OC ZINC000735443187 598667361 /nfs/dbraw/zinc/66/73/61/598667361.db2.gz SERFHVCQIBRFDE-UHFFFAOYSA-N -1 3 385.855 3.878 20 30 GHEDHM Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000737646863 598682443 /nfs/dbraw/zinc/68/24/43/598682443.db2.gz ALRRRKJQKUJAFE-UWVGGRQHSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000737646863 598682444 /nfs/dbraw/zinc/68/24/44/598682444.db2.gz ALRRRKJQKUJAFE-UWVGGRQHSA-N -1 3 397.298 3.569 20 30 GHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819729445 599295352 /nfs/dbraw/zinc/29/53/52/599295352.db2.gz GRBCAHAXMWNOOA-UHFFFAOYSA-N -1 3 388.790 3.672 20 30 GHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819729445 599295353 /nfs/dbraw/zinc/29/53/53/599295353.db2.gz GRBCAHAXMWNOOA-UHFFFAOYSA-N -1 3 388.790 3.672 20 30 GHEDHM Clc1ccc(OC[C@@H]2CCCO2)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822578055 599335671 /nfs/dbraw/zinc/33/56/71/599335671.db2.gz BBHMCCBISRPJSD-KRWDZBQOSA-N -1 3 398.854 3.524 20 30 GHEDHM Clc1ccc(OC[C@@H]2CCCO2)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822578055 599335674 /nfs/dbraw/zinc/33/56/74/599335674.db2.gz BBHMCCBISRPJSD-KRWDZBQOSA-N -1 3 398.854 3.524 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000736308810 599437855 /nfs/dbraw/zinc/43/78/55/599437855.db2.gz IHIFZNPWPMLXEL-HNNXBMFYSA-N -1 3 385.431 3.708 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000736308810 599437857 /nfs/dbraw/zinc/43/78/57/599437857.db2.gz IHIFZNPWPMLXEL-HNNXBMFYSA-N -1 3 385.431 3.708 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c[nH]c2cc(Cl)ccc12 ZINC000737805103 599463962 /nfs/dbraw/zinc/46/39/62/599463962.db2.gz GVGDXHJSHFYJEM-HYXAFXHYSA-N -1 3 389.806 3.545 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c[nH]c2cc(Cl)ccc12 ZINC000737805103 599463964 /nfs/dbraw/zinc/46/39/64/599463964.db2.gz GVGDXHJSHFYJEM-HYXAFXHYSA-N -1 3 389.806 3.545 20 30 GHEDHM N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)c2)cc1 ZINC000737722280 599568280 /nfs/dbraw/zinc/56/82/80/599568280.db2.gz RPXNXDBHWDDCIM-UHFFFAOYSA-N -1 3 399.389 3.873 20 30 GHEDHM N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)c2)cc1 ZINC000737722280 599568282 /nfs/dbraw/zinc/56/82/82/599568282.db2.gz RPXNXDBHWDDCIM-UHFFFAOYSA-N -1 3 399.389 3.873 20 30 GHEDHM C=CCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000819733788 607391624 /nfs/dbraw/zinc/39/16/24/607391624.db2.gz BHIVOYYVQGSIKE-SFHVURJKSA-N -1 3 380.427 3.513 20 30 GHEDHM C=CCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819733788 607391627 /nfs/dbraw/zinc/39/16/27/607391627.db2.gz BHIVOYYVQGSIKE-SFHVURJKSA-N -1 3 380.427 3.513 20 30 GHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nnn[n-]4)cc3F)C2=O)c(F)c1 ZINC000822825448 607455346 /nfs/dbraw/zinc/45/53/46/607455346.db2.gz GISFDHHDRRXSRN-MICXRRPDSA-N -1 3 389.365 3.846 20 30 GHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nn[n-]n4)cc3F)C2=O)c(F)c1 ZINC000822825448 607455347 /nfs/dbraw/zinc/45/53/47/607455347.db2.gz GISFDHHDRRXSRN-MICXRRPDSA-N -1 3 389.365 3.846 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064926 601236918 /nfs/dbraw/zinc/23/69/18/601236918.db2.gz YFTCXJNYJXPBBW-RULNRJAQSA-N -1 3 383.231 3.532 20 30 GHEDHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832226311 601298527 /nfs/dbraw/zinc/29/85/27/601298527.db2.gz MTIIVKLLFKNVTP-DIFFPNOSSA-N -1 3 389.249 3.806 20 30 GHEDHM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000740303409 602670136 /nfs/dbraw/zinc/67/01/36/602670136.db2.gz JHZZSKCIYMFYSI-IAGOWNOFSA-N -1 3 399.834 3.776 20 30 GHEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000824147294 607673187 /nfs/dbraw/zinc/67/31/87/607673187.db2.gz BKLFQQVZDMBVJO-MRXNPFEDSA-N -1 3 392.467 3.590 20 30 GHEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000824147294 607673188 /nfs/dbraw/zinc/67/31/88/607673188.db2.gz BKLFQQVZDMBVJO-MRXNPFEDSA-N -1 3 392.467 3.590 20 30 GHEDHM C=C1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000819730291 606270521 /nfs/dbraw/zinc/27/05/21/606270521.db2.gz VGEYMGRKJYLSPG-UHFFFAOYSA-N -1 3 377.473 3.810 20 30 GHEDHM C=C1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000819730291 606270523 /nfs/dbraw/zinc/27/05/23/606270523.db2.gz VGEYMGRKJYLSPG-UHFFFAOYSA-N -1 3 377.473 3.810 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cnc(C3CC3)s2)ccc1-c1nnn[n-]1 ZINC000822724109 606777346 /nfs/dbraw/zinc/77/73/46/606777346.db2.gz ZFBMXKDOERBSRP-UHFFFAOYSA-N -1 3 379.371 3.665 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cnc(C3CC3)s2)ccc1-c1nn[n-]n1 ZINC000822724109 606777350 /nfs/dbraw/zinc/77/73/50/606777350.db2.gz ZFBMXKDOERBSRP-UHFFFAOYSA-N -1 3 379.371 3.665 20 30 GHEDHM C=CCC(CC=C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819734432 606923018 /nfs/dbraw/zinc/92/30/18/606923018.db2.gz NTMZEHURCVJPOI-UHFFFAOYSA-N -1 3 376.420 3.761 20 30 GHEDHM C=CCC(CC=C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819734432 606923020 /nfs/dbraw/zinc/92/30/20/606923020.db2.gz NTMZEHURCVJPOI-UHFFFAOYSA-N -1 3 376.420 3.761 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1cccs1 ZINC000819766332 607016373 /nfs/dbraw/zinc/01/63/73/607016373.db2.gz WVVNJDVULTWKBJ-UHFFFAOYSA-N -1 3 381.490 3.665 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1cccs1 ZINC000819766332 607016374 /nfs/dbraw/zinc/01/63/74/607016374.db2.gz WVVNJDVULTWKBJ-UHFFFAOYSA-N -1 3 381.490 3.665 20 30 GHEDHM N#Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(Cl)c1 ZINC000822829892 607199398 /nfs/dbraw/zinc/19/93/98/607199398.db2.gz OBGCPSINQHTTPF-UHFFFAOYSA-N -1 3 393.838 3.588 20 30 GHEDHM N#Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)c1 ZINC000822829892 607199399 /nfs/dbraw/zinc/19/93/99/607199399.db2.gz OBGCPSINQHTTPF-UHFFFAOYSA-N -1 3 393.838 3.588 20 30 GHEDHM Clc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000822573593 607252268 /nfs/dbraw/zinc/25/22/68/607252268.db2.gz BSVNHWUUZQHIDZ-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475343 607842985 /nfs/dbraw/zinc/84/29/85/607842985.db2.gz CISVLGUYYOZRJD-CLTKARDFSA-N -1 3 393.291 3.965 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475343 607842986 /nfs/dbraw/zinc/84/29/86/607842986.db2.gz CISVLGUYYOZRJD-CLTKARDFSA-N -1 3 393.291 3.965 20 30 GHEDHM CC(C)[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824185390 608063363 /nfs/dbraw/zinc/06/33/63/608063363.db2.gz YEYYLRRRNDABHM-HNNXBMFYSA-N -1 3 396.838 3.590 20 30 GHEDHM CC(C)[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824185390 608063364 /nfs/dbraw/zinc/06/33/64/608063364.db2.gz YEYYLRRRNDABHM-HNNXBMFYSA-N -1 3 396.838 3.590 20 30 GHEDHM COc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc12 ZINC000826188464 608537384 /nfs/dbraw/zinc/53/73/84/608537384.db2.gz XUYUEWFQJMYPAJ-UHFFFAOYSA-N -1 3 393.838 3.913 20 30 GHEDHM COc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc12 ZINC000826188464 608537385 /nfs/dbraw/zinc/53/73/85/608537385.db2.gz XUYUEWFQJMYPAJ-UHFFFAOYSA-N -1 3 393.838 3.913 20 30 GHEDHM Fc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1C(F)(F)F ZINC000826374148 608541797 /nfs/dbraw/zinc/54/17/97/608541797.db2.gz NKQRZWCXTITVKJ-UHFFFAOYSA-N -1 3 385.712 3.519 20 30 GHEDHM Fc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1C(F)(F)F ZINC000826374148 608541799 /nfs/dbraw/zinc/54/17/99/608541799.db2.gz NKQRZWCXTITVKJ-UHFFFAOYSA-N -1 3 385.712 3.519 20 30 GHEDHM N#Cc1cccc(COc2cccc(CNc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000826386847 608872053 /nfs/dbraw/zinc/87/20/53/608872053.db2.gz VEQYVWUSEGLXTJ-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cccc(COc2cccc(CNc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826386847 608872057 /nfs/dbraw/zinc/87/20/57/608872057.db2.gz VEQYVWUSEGLXTJ-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000826400721 608878654 /nfs/dbraw/zinc/87/86/54/608878654.db2.gz GJMCMRCLIKOVPV-WAPJZHGLSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000826400721 608878657 /nfs/dbraw/zinc/87/86/57/608878657.db2.gz GJMCMRCLIKOVPV-WAPJZHGLSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)c(F)c1 ZINC000826400534 608880171 /nfs/dbraw/zinc/88/01/71/608880171.db2.gz AWXVLOWLDHNBKC-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)c(F)c1 ZINC000826400534 608880172 /nfs/dbraw/zinc/88/01/72/608880172.db2.gz AWXVLOWLDHNBKC-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400661 609271148 /nfs/dbraw/zinc/27/11/48/609271148.db2.gz DQEQCBTWUFQRPR-QPJJXVBHSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400661 609271149 /nfs/dbraw/zinc/27/11/49/609271149.db2.gz DQEQCBTWUFQRPR-QPJJXVBHSA-N -1 3 392.312 3.843 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(Cl)c1OC ZINC000826178595 609271766 /nfs/dbraw/zinc/27/17/66/609271766.db2.gz DPUMBKCCQFMFOW-ZZXKWVIFSA-N -1 3 388.786 3.573 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(Cl)c1OC ZINC000826178595 609271767 /nfs/dbraw/zinc/27/17/67/609271767.db2.gz DPUMBKCCQFMFOW-ZZXKWVIFSA-N -1 3 388.786 3.573 20 30 GHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000480401423 609302223 /nfs/dbraw/zinc/30/22/23/609302223.db2.gz GUKMZKSHNSNVJH-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000480401423 609302225 /nfs/dbraw/zinc/30/22/25/609302225.db2.gz GUKMZKSHNSNVJH-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM Cc1ccsc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826315543 609309628 /nfs/dbraw/zinc/30/96/28/609309628.db2.gz MJGWYOMSAFGCDJ-BQYQJAHWSA-N -1 3 376.445 3.533 20 30 GHEDHM Cc1ccsc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826315543 609309629 /nfs/dbraw/zinc/30/96/29/609309629.db2.gz MJGWYOMSAFGCDJ-BQYQJAHWSA-N -1 3 376.445 3.533 20 30 GHEDHM N#CCSc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151578667 835553286 /nfs/dbraw/zinc/55/32/86/835553286.db2.gz LBICMCIXDYFPRE-UHFFFAOYSA-N -1 3 377.263 3.700 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCCC2=CCCCC2)CCCC1 ZINC000329735581 835820333 /nfs/dbraw/zinc/82/03/33/835820333.db2.gz LBPHFYDYIUDSPC-UHFFFAOYSA-N -1 3 395.525 3.730 20 30 GHEDHM CCc1ncsc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000136561779 836132403 /nfs/dbraw/zinc/13/24/03/836132403.db2.gz CKBKVZJYBBSBGW-UHFFFAOYSA-N -1 3 387.515 3.973 20 30 GHEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1C ZINC000177596790 837989565 /nfs/dbraw/zinc/98/95/65/837989565.db2.gz UBIKWLDVODNIQN-CYBMUJFWSA-N -1 3 392.431 3.819 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278820448 838063161 /nfs/dbraw/zinc/06/31/61/838063161.db2.gz TYEFXLQENWROQD-SNVBAGLBSA-N -1 3 398.410 3.561 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000377223066 839129184 /nfs/dbraw/zinc/12/91/84/839129184.db2.gz JHMFLALAKZHRND-LJQANCHMSA-N -1 3 377.488 3.690 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2ccccc2)ns1 ZINC000118617482 839791743 /nfs/dbraw/zinc/79/17/43/839791743.db2.gz JHRWDWFYAUKIBH-UHFFFAOYSA-N -1 3 378.457 3.558 20 30 GHEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000124683734 841014961 /nfs/dbraw/zinc/01/49/61/841014961.db2.gz GPDCXMMFTOMRLF-MRXNPFEDSA-N -1 3 375.222 3.613 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000125209264 841353132 /nfs/dbraw/zinc/35/31/32/841353132.db2.gz JSWGWXGYYSPCHD-LBPRGKRZSA-N -1 3 384.189 3.551 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(Nc3cnccn3)c2)s1 ZINC000430607548 841552628 /nfs/dbraw/zinc/55/26/28/841552628.db2.gz YZDNAORUXCQJKZ-OAHLLOKOSA-N -1 3 377.473 3.886 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CSCc2ccco2)cc1 ZINC000759833562 841916075 /nfs/dbraw/zinc/91/60/75/841916075.db2.gz IZZPWLGUZHTKHM-KAMXEHQASA-N -1 3 398.440 3.551 20 30 GHEDHM N[C@@](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)(c1cccc(F)c1)C(F)(F)F ZINC000500536749 843603943 /nfs/dbraw/zinc/60/39/43/843603943.db2.gz ZTSDFIRXYVJSDP-CQSZACIVSA-N -1 3 396.262 3.905 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc([O-])c(F)c1 ZINC000728426207 845197840 /nfs/dbraw/zinc/19/78/40/845197840.db2.gz XRFNQFRWMYWNIU-UHFFFAOYSA-N -1 3 376.331 3.661 20 30 GHEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000513347291 845276786 /nfs/dbraw/zinc/27/67/86/845276786.db2.gz HRRBLTQPHWVYFC-KRWDZBQOSA-N -1 3 377.822 3.706 20 30 GHEDHM CCOc1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc(Br)c1[O-] ZINC000255545052 848286688 /nfs/dbraw/zinc/28/66/88/848286688.db2.gz UWMGKQFDSSWZLO-YRNVUSSQSA-N -1 3 390.233 3.867 20 30 GHEDHM CC[C@H](C)c1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000017222649 849958568 /nfs/dbraw/zinc/95/85/68/849958568.db2.gz QWVPJJPMSYLKIE-AWEZNQCLSA-N -1 3 394.471 3.736 20 30 GHEDHM N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000434624458 851377664 /nfs/dbraw/zinc/37/76/64/851377664.db2.gz GWGSPPKCXJYCAL-ZWKOTPCHSA-N -1 3 391.452 3.863 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)[C@H](C#N)c3nc4c(cccc4C)[nH]3)cc2)cc(=O)[n-]1 ZINC000505448606 851382994 /nfs/dbraw/zinc/38/29/94/851382994.db2.gz CEYDYPJKWYNSRP-MRXNPFEDSA-N -1 3 398.426 3.588 20 30 GHEDHM COc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000436755593 852302347 /nfs/dbraw/zinc/30/23/47/852302347.db2.gz OKPPGVJQIRDVBP-OAQYLSRUSA-N -1 3 393.487 3.547 20 30 GHEDHM COC(=O)C[C@H](/N=C/c1cc(Br)ccc1[O-])c1ccc(OC)cc1 ZINC000732770238 862484820 /nfs/dbraw/zinc/48/48/20/862484820.db2.gz YCZOUFQPLKTRAC-YODDIOPGSA-N -1 3 392.249 3.887 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000156491353 853822017 /nfs/dbraw/zinc/82/20/17/853822017.db2.gz KSKVLIBUSSLLMN-CQSZACIVSA-N -1 3 377.278 3.575 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1Cl ZINC000120896789 854067997 /nfs/dbraw/zinc/06/79/97/854067997.db2.gz ATMIJADEUDVLFT-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045152994 854342187 /nfs/dbraw/zinc/34/21/87/854342187.db2.gz FNJDIQQJVJSQFL-LJQANCHMSA-N -1 3 383.879 3.813 20 30 GHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188678966 854899758 /nfs/dbraw/zinc/89/97/58/854899758.db2.gz HKVZUARNYKOACR-UHFFFAOYSA-N -1 3 382.239 3.652 20 30 GHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188678966 854899767 /nfs/dbraw/zinc/89/97/67/854899767.db2.gz HKVZUARNYKOACR-UHFFFAOYSA-N -1 3 382.239 3.652 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000536361452 855102278 /nfs/dbraw/zinc/10/22/78/855102278.db2.gz FOQDHMSJIRBNCL-UHFFFAOYSA-N -1 3 391.422 3.637 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2cccs2)cs1 ZINC000060950790 856401141 /nfs/dbraw/zinc/40/11/41/856401141.db2.gz PXMLCWIIHIPWIC-UHFFFAOYSA-N -1 3 384.486 3.620 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1OC1CCOCC1 ZINC000172592255 856491551 /nfs/dbraw/zinc/49/15/51/856491551.db2.gz ARPILFGXCRXVFX-UHFFFAOYSA-N -1 3 386.473 3.534 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000507917161 856665828 /nfs/dbraw/zinc/66/58/28/856665828.db2.gz HXJLKYOQOTUSCK-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C(=O)OC(C)(C)C)cn3)nc21 ZINC000592369287 856781345 /nfs/dbraw/zinc/78/13/45/856781345.db2.gz JKICDUBPLQWCLZ-CQSZACIVSA-N -1 3 376.416 3.712 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000172744280 857058274 /nfs/dbraw/zinc/05/82/74/857058274.db2.gz RCSCFUJBICIENS-CFLQYTFWSA-N -1 3 377.488 3.589 20 30 GHEDHM COc1ccc(C=NNCc2cnc3ccccc3c2)c(Br)c1[O-] ZINC000761010757 857236725 /nfs/dbraw/zinc/23/67/25/857236725.db2.gz CTRFINZDRPUPPN-UHFFFAOYSA-N -1 3 386.249 3.835 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000041894124 857311877 /nfs/dbraw/zinc/31/18/77/857311877.db2.gz DIOBIMAKDJQGLH-ORAYPTAESA-N -1 3 393.487 3.704 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1ccccc1F ZINC000592680991 858020228 /nfs/dbraw/zinc/02/02/28/858020228.db2.gz JSIVUZMLHZQCMC-HSZRJFAPSA-N -1 3 395.478 3.971 20 30 GHEDHM N#CC1(c2ccc(CN[C@@H](CC(=O)[O-])c3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000594691071 858255454 /nfs/dbraw/zinc/25/54/54/858255454.db2.gz PQJYISSIZYZQAK-NRFANRHFSA-N -1 3 386.455 3.733 20 30 GHEDHM Cc1c(F)c(C(F)(F)F)ccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000443523627 858891978 /nfs/dbraw/zinc/89/19/78/858891978.db2.gz SGLKJFCMCWJLNK-LBPRGKRZSA-N -1 3 380.345 3.961 20 30 GHEDHM N#CC(=C([O-])c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cnc2ccccc2n1 ZINC000483232126 859243706 /nfs/dbraw/zinc/24/37/06/859243706.db2.gz OMJRWQWMSJPYNH-MRXNPFEDSA-N -1 3 380.411 3.782 20 30 GHEDHM O=C(COc1ccccc1OCC(F)(F)F)Nc1n[n-]c(-c2ccco2)n1 ZINC000069374704 859483718 /nfs/dbraw/zinc/48/37/18/859483718.db2.gz XIGPQPOAVYLZDI-UHFFFAOYSA-N -1 3 382.298 3.673 20 30 GHEDHM O=C1CCCN1Cc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000126983690 859622304 /nfs/dbraw/zinc/62/23/04/859622304.db2.gz GYJBETSKPGHOCV-CIAFOILYSA-N -1 3 387.277 3.896 20 30 GHEDHM COc1cccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1O ZINC000727058383 859911346 /nfs/dbraw/zinc/91/13/46/859911346.db2.gz LQKIIKZKFYBNSB-UHFFFAOYSA-N -1 3 397.456 3.648 20 30 GHEDHM CCn1cc(C(C)=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000727062465 859913005 /nfs/dbraw/zinc/91/30/05/859913005.db2.gz XVYSNVWFXUJXCF-UHFFFAOYSA-N -1 3 383.477 3.540 20 30 GHEDHM CCCNc1ccc(C#N)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000154304219 860058048 /nfs/dbraw/zinc/05/80/48/860058048.db2.gz WZTBVAKQRASWTQ-UHFFFAOYSA-N -1 3 378.407 3.922 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000598400992 860284540 /nfs/dbraw/zinc/28/45/40/860284540.db2.gz OAOXCKMGABVHJJ-QGZVFWFLSA-N -1 3 387.386 3.633 20 30 GHEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598658667 860496084 /nfs/dbraw/zinc/49/60/84/860496084.db2.gz PQFKWOPHPZPSCQ-UHFFFAOYSA-N -1 3 378.350 3.571 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920111948 881661200 /nfs/dbraw/zinc/66/12/00/881661200.db2.gz SHHBLZPENRIFIC-LBPRGKRZSA-N -1 3 390.182 3.801 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C/N=C/c3ccccc3O)c2)cc1 ZINC000734366328 864178864 /nfs/dbraw/zinc/17/88/64/864178864.db2.gz NHBIADRHJYSNGT-PXLXIMEGSA-N -1 3 396.468 3.821 20 30 GHEDHM C=CCc1ccc(OCC(=O)Nc2cc(Br)ccc2[O-])c(OC)c1 ZINC000533964335 864572703 /nfs/dbraw/zinc/57/27/03/864572703.db2.gz RERFGGIURCHPFY-UHFFFAOYSA-N -1 3 392.249 3.909 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccco3)s2)cc1OC ZINC000766254224 865979002 /nfs/dbraw/zinc/97/90/02/865979002.db2.gz JRWICVOOJUIWIZ-CYBMUJFWSA-N -1 3 396.424 3.986 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)cc1 ZINC000793124699 881931073 /nfs/dbraw/zinc/93/10/73/881931073.db2.gz MRHDTSFNVPZWDY-KSSFIOAISA-N -1 3 392.459 3.740 20 30 GHEDHM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000128038158 870439204 /nfs/dbraw/zinc/43/92/04/870439204.db2.gz IKJLNMVNBWIUFR-AWEZNQCLSA-N -1 3 393.424 3.863 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc(Br)cnc2C(F)(F)F)ccc1[O-] ZINC001193027777 870854558 /nfs/dbraw/zinc/85/45/58/870854558.db2.gz AMTJUTOIKQKLRU-UHFFFAOYSA-N -1 3 386.127 3.692 20 30 GHEDHM C=CC[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000617784321 870886083 /nfs/dbraw/zinc/88/60/83/870886083.db2.gz QSZBVVPZAUOVNW-LBPRGKRZSA-N -1 3 375.266 3.719 20 30 GHEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)cc(F)c2Br)c1 ZINC001193689383 871239454 /nfs/dbraw/zinc/23/94/54/871239454.db2.gz PTNNEWYLSLAUJI-UHFFFAOYSA-N -1 3 399.241 3.578 20 30 GHEDHM Cc1cc(Cl)ccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000767360975 872454577 /nfs/dbraw/zinc/45/45/77/872454577.db2.gz MRJPGAVXJGAVBX-INIZCTEOSA-N -1 3 386.864 3.923 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000619463907 872660110 /nfs/dbraw/zinc/66/01/10/872660110.db2.gz WKNXUUFDJDKQBL-UHFFFAOYSA-N -1 3 387.205 3.594 20 30 GHEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC001196172308 872930331 /nfs/dbraw/zinc/93/03/31/872930331.db2.gz VYTVXGCTWGAMEG-UHFFFAOYSA-N -1 3 392.484 3.560 20 30 GHEDHM C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000122704227 882670570 /nfs/dbraw/zinc/67/05/70/882670570.db2.gz MHLPUCLCNUOLIJ-CQSZACIVSA-N -1 3 383.477 3.700 20 30 GHEDHM CCCCc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(C(=O)OCC)[n-]1 ZINC000191962949 882684267 /nfs/dbraw/zinc/68/42/67/882684267.db2.gz KGYSZBSUFQUAAE-UHFFFAOYSA-N -1 3 380.448 3.736 20 30 GHEDHM CCCOc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC ZINC000921241519 882762866 /nfs/dbraw/zinc/76/28/66/882762866.db2.gz GYECFZOYPFYJQS-UHFFFAOYSA-N -1 3 398.459 3.749 20 30 GHEDHM N#Cc1ccc(Br)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC001197607625 873939393 /nfs/dbraw/zinc/93/93/93/873939393.db2.gz JFYAYVMGIZYYJQ-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM CCCC[C@@H](CC)COCc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC001199217119 874856399 /nfs/dbraw/zinc/85/63/99/874856399.db2.gz LLOUMMQEHHJIJK-APWZRJJASA-N -1 3 391.512 3.921 20 30 GHEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1C#N ZINC000542235480 875198545 /nfs/dbraw/zinc/19/85/45/875198545.db2.gz DTGSRCZZHWYTJF-UHFFFAOYSA-N -1 3 396.415 3.790 20 30 GHEDHM C=CCN1c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2C2(CCOCC2)C1=O ZINC001201223196 875585398 /nfs/dbraw/zinc/58/53/98/875585398.db2.gz WUPKMZLBBHEVCV-UHFFFAOYSA-N -1 3 395.415 3.625 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1C#N ZINC001201287299 875592246 /nfs/dbraw/zinc/59/22/46/875592246.db2.gz DTWJZISVBMUMIE-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2sc(C([O-])=C(C#N)c3ccccn3)cc2C1 ZINC000850755392 877142050 /nfs/dbraw/zinc/14/20/50/877142050.db2.gz DHAPQRNDCPWZSJ-CQSZACIVSA-N -1 3 383.473 3.926 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2sc(C([O-])=C(C#N)c3ccccn3)cc2C1 ZINC000850755389 877142095 /nfs/dbraw/zinc/14/20/95/877142095.db2.gz DHAPQRNDCPWZSJ-AWEZNQCLSA-N -1 3 383.473 3.926 20 30 GHEDHM N#CCn1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc2ccccc21 ZINC000616881393 879151854 /nfs/dbraw/zinc/15/18/54/879151854.db2.gz SCVWHUCHFJIEST-UHFFFAOYSA-N -1 3 382.383 3.948 20 30 GHEDHM N#CCn1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc2ccccc21 ZINC000616881393 879151861 /nfs/dbraw/zinc/15/18/61/879151861.db2.gz SCVWHUCHFJIEST-UHFFFAOYSA-N -1 3 382.383 3.948 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000285790680 912440913 /nfs/dbraw/zinc/44/09/13/912440913.db2.gz HMBKNTYPBUYYFD-UHFFFAOYSA-N -1 3 393.821 3.770 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(OCC3CC3)cc1)[n-]c2=O ZINC000790164022 879501795 /nfs/dbraw/zinc/50/17/95/879501795.db2.gz JJFZHRZTRRHWMK-UHFFFAOYSA-N -1 3 380.452 3.522 20 30 GHEDHM N#C[C@]1([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCc2ccccc2C1 ZINC000185144766 880489202 /nfs/dbraw/zinc/48/92/02/880489202.db2.gz FEWYVAHLXMCZCN-SFHVURJKSA-N -1 3 394.418 3.576 20 30 GHEDHM C=CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1nc2c(s1)CCCC2 ZINC000499151418 881309007 /nfs/dbraw/zinc/30/90/07/881309007.db2.gz NVOFCKFEIJVAIQ-UHFFFAOYSA-N -1 3 396.516 3.763 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000130116887 884763690 /nfs/dbraw/zinc/76/36/90/884763690.db2.gz UFQACQBMAZXBDP-LBPRGKRZSA-N -1 3 375.743 3.657 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2cn3c(n2)CCCC3)cc(Br)c1[O-] ZINC000806564453 884816698 /nfs/dbraw/zinc/81/66/98/884816698.db2.gz CCVHLOONYIPKKM-VOTSOKGWSA-N -1 3 391.265 3.982 20 30 GHEDHM CCC[C@@H]1CCc2ccccc2N1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000152410444 885371145 /nfs/dbraw/zinc/37/11/45/885371145.db2.gz HPJMAQPIKMHZKR-GOSISDBHSA-N -1 3 377.488 3.944 20 30 GHEDHM COc1cccc2c(C(=O)OCc3cc(C#N)ccc3Br)n[n-]c21 ZINC000808675429 886670738 /nfs/dbraw/zinc/67/07/38/886670738.db2.gz GMWHCUNPVLVTMU-UHFFFAOYSA-N -1 3 386.205 3.563 20 30 GHEDHM COc1cccc2c(C(=O)OCc3cc(C#N)ccc3Br)[n-]nc21 ZINC000808675429 886670751 /nfs/dbraw/zinc/67/07/51/886670751.db2.gz GMWHCUNPVLVTMU-UHFFFAOYSA-N -1 3 386.205 3.563 20 30 GHEDHM Cc1cccc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000125772677 886897878 /nfs/dbraw/zinc/89/78/78/886897878.db2.gz BXJUZOGHCRODMK-OAQYLSRUSA-N -1 3 377.488 3.777 20 30 GHEDHM N#Cc1ccccc1N1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC000459309080 887245653 /nfs/dbraw/zinc/24/56/53/887245653.db2.gz SHRXBFJTPNHDJO-UHFFFAOYSA-N -1 3 386.293 3.739 20 30 GHEDHM Cc1ccc(C(=O)N[C@H](C(=O)N([O-])CCCCc2ccccc2)C(C)C)cc1 ZINC001184293113 913143075 /nfs/dbraw/zinc/14/30/75/913143075.db2.gz FTQJFCYLRPKVTJ-NRFANRHFSA-N -1 3 382.504 3.990 20 30 GHEDHM Cc1cc(F)ccc1-n1cc(C(=O)N([O-])Cc2cccc3ccccc32)nn1 ZINC001184341223 913159132 /nfs/dbraw/zinc/15/91/32/913159132.db2.gz XGOQTZTVJAGTTM-UHFFFAOYSA-N -1 3 376.391 3.900 20 30 GHEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809959345 888026620 /nfs/dbraw/zinc/02/66/20/888026620.db2.gz HRBZBJURABEORS-HDJSIYSDSA-N -1 3 382.530 3.593 20 30 GHEDHM C=CCCn1cc(C(=O)[N-]c2nnc(-c3cccc(C(F)(F)F)c3)s2)nn1 ZINC001131989216 888038234 /nfs/dbraw/zinc/03/82/34/888038234.db2.gz YVYDCGLERMVABF-UHFFFAOYSA-N -1 3 394.382 3.644 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc2occc2c1 ZINC000794876870 888655108 /nfs/dbraw/zinc/65/51/08/888655108.db2.gz LKJJMHOAUWDCKM-KRWDZBQOSA-N -1 3 378.413 3.708 20 30 GHEDHM COc1ccccc1C=CC=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916320622 888922972 /nfs/dbraw/zinc/92/29/72/888922972.db2.gz DFMABRFBYDSGIE-NHVXBAHYSA-N -1 3 394.456 3.635 20 30 GHEDHM Cc1[nH]c2ccccc2c1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916620686 889195468 /nfs/dbraw/zinc/19/54/68/889195468.db2.gz WLCKKNZALQSCCU-GOSISDBHSA-N -1 3 391.456 3.751 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000811186377 889273656 /nfs/dbraw/zinc/27/36/56/889273656.db2.gz LYHIPOABAXOROU-HUUCEWRRSA-N -1 3 388.423 3.840 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2nnn(-c3ccccc3)c2C(F)F)c(F)cc1F ZINC001132689373 889305487 /nfs/dbraw/zinc/30/54/87/889305487.db2.gz GDCOBESRIGFLAH-UHFFFAOYSA-N -1 3 375.285 3.607 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000916909491 890406427 /nfs/dbraw/zinc/40/64/27/890406427.db2.gz CDJLQWCETRXOLJ-AWEZNQCLSA-N -1 3 382.782 3.626 20 30 GHEDHM N#Cc1c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cn2ccccc12 ZINC000105626453 890454907 /nfs/dbraw/zinc/45/49/07/890454907.db2.gz GTDXINIRTRWZCI-UHFFFAOYSA-N -1 3 398.451 3.525 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCc1ccc(F)c(F)c1 ZINC000475969525 890778652 /nfs/dbraw/zinc/77/86/52/890778652.db2.gz MGXWNIGLFCLHRA-UHFFFAOYSA-N -1 3 387.430 3.626 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(Cl)c2)cc1 ZINC000125635890 892844123 /nfs/dbraw/zinc/84/41/23/892844123.db2.gz BEGVAKXOFTYDBA-UHFFFAOYSA-N -1 3 393.921 3.566 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[n-]n1 ZINC000543760937 913735234 /nfs/dbraw/zinc/73/52/34/913735234.db2.gz KSRXTIPNLHBBEO-UHFFFAOYSA-N -1 3 394.362 3.642 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n[n-]1 ZINC000543760937 913735244 /nfs/dbraw/zinc/73/52/44/913735244.db2.gz KSRXTIPNLHBBEO-UHFFFAOYSA-N -1 3 394.362 3.642 20 30 GHEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1 ZINC000460003994 894540746 /nfs/dbraw/zinc/54/07/46/894540746.db2.gz AORGXDWMZHJSTE-QRWLVFNGSA-N -1 3 383.473 3.593 20 30 GHEDHM CCCCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC001185559555 913953622 /nfs/dbraw/zinc/95/36/22/913953622.db2.gz JXPAZRYDMHVVLC-CYBMUJFWSA-N -1 3 394.518 3.847 20 30 GHEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001135983352 895827308 /nfs/dbraw/zinc/82/73/08/895827308.db2.gz UFIGKGKHSFUGAQ-GOSISDBHSA-N -1 3 395.459 3.769 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000881161798 896212319 /nfs/dbraw/zinc/21/23/19/896212319.db2.gz BUJNNAFCXQOWEB-VIFPVBQESA-N -1 3 385.243 3.718 20 30 GHEDHM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC000824348089 899544136 /nfs/dbraw/zinc/54/41/36/899544136.db2.gz YZUMDGBYKMOQBG-XBXARRHUSA-N -1 3 381.367 3.934 20 30 GHEDHM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000824348089 899544144 /nfs/dbraw/zinc/54/41/44/899544144.db2.gz YZUMDGBYKMOQBG-XBXARRHUSA-N -1 3 381.367 3.934 20 30 GHEDHM COC(=O)CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1cc(Cl)ccc1[O-] ZINC000824769368 899796409 /nfs/dbraw/zinc/79/64/09/899796409.db2.gz UDTUTDLVJBEECH-UHFFFAOYSA-N -1 3 384.863 3.776 20 30 GHEDHM Cn1nc(C(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000576676195 902182321 /nfs/dbraw/zinc/18/23/21/902182321.db2.gz VHJWHUZEANETJP-QMMMGPOBSA-N -1 3 383.280 3.674 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000159777597 904082880 /nfs/dbraw/zinc/08/28/80/904082880.db2.gz WPFKLOLGMZVULM-QGZVFWFLSA-N -1 3 386.411 3.503 20 30 GHEDHM C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586399 904127909 /nfs/dbraw/zinc/12/79/09/904127909.db2.gz NKBPQRTYLRYOAU-UHFFFAOYSA-N -1 3 375.884 3.938 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC000121389046 904302492 /nfs/dbraw/zinc/30/24/92/904302492.db2.gz JADMSRLGKLZCHK-UHFFFAOYSA-N -1 3 389.411 3.589 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1[C@@H](C)C1CC1 ZINC000777304097 905723992 /nfs/dbraw/zinc/72/39/92/905723992.db2.gz MDJIOSVDMQSUSL-FZMZJTMJSA-N -1 3 388.830 3.916 20 30 GHEDHM N#CC(=C([O-])c1cccc(I)c1)c1cnc2ccccc2n1 ZINC000190926249 906445658 /nfs/dbraw/zinc/44/56/58/906445658.db2.gz QFCUJTKYURKONI-ZDUSSCGKSA-N -1 3 399.191 3.724 20 30 GHEDHM COc1cc(/C=C/C(=O)c2cc3n(n2)CCCC3)cc(Br)c1[O-] ZINC000901560498 921358923 /nfs/dbraw/zinc/35/89/23/921358923.db2.gz FLQODDNLCQZMAP-AATRIKPKSA-N -1 3 377.238 3.592 20 30 GHEDHM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000633184841 908238401 /nfs/dbraw/zinc/23/84/01/908238401.db2.gz CTRAIINGROPUPR-CPCISQLKSA-N -1 3 386.267 3.549 20 30 GHEDHM O=C1CCCN1Cc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000193309589 908253146 /nfs/dbraw/zinc/25/31/46/908253146.db2.gz GZQFOXUHAZUQJR-CIAFOILYSA-N -1 3 387.277 3.896 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000194782276 908925529 /nfs/dbraw/zinc/92/55/29/908925529.db2.gz BVUMYCBILIQWQD-UHFFFAOYSA-N -1 3 377.488 3.683 20 30 GHEDHM C=CCOC[C@@H](NCc1ccc(Br)cc1SC(C)C)C(=O)[O-] ZINC000901808571 921583808 /nfs/dbraw/zinc/58/38/08/921583808.db2.gz HFULSSRBYFLPQY-CQSZACIVSA-N -1 3 388.327 3.695 20 30 GHEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181206293 910616000 /nfs/dbraw/zinc/61/60/00/910616000.db2.gz PVBCDQUXDZVEJC-UHFFFAOYSA-N -1 3 395.846 3.939 20 30 GHEDHM CCc1nc2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2nc1CC ZINC000642280992 911936429 /nfs/dbraw/zinc/93/64/29/911936429.db2.gz WPJYVLHRHZFFBA-OAHLLOKOSA-N -1 3 388.475 3.563 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(NC(=O)c2cc(F)c(Cl)c(C#N)c2Cl)c1 ZINC001189847192 916976523 /nfs/dbraw/zinc/97/65/23/916976523.db2.gz RHLCJYMHYCNECD-UHFFFAOYSA-N -1 3 382.178 3.920 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC2CCOCC2)c2ccccc2)c1 ZINC001190677728 917506993 /nfs/dbraw/zinc/50/69/93/917506993.db2.gz VTDDIHJROWCRCD-IBGZPJMESA-N -1 3 388.464 3.534 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1ccc(Cl)cc1 ZINC001191036399 917719403 /nfs/dbraw/zinc/71/94/03/917719403.db2.gz MYNJWGJPEQNEIB-LBPRGKRZSA-N -1 3 375.664 3.695 20 30 GHEDHM Cc1cc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)sc2cc1F ZINC000900773322 920593323 /nfs/dbraw/zinc/59/33/23/920593323.db2.gz RXJWNMYBGARFAZ-UHFFFAOYSA-N -1 3 384.436 3.904 20 30 GHEDHM CC(=O)N(CCc1ccccc1)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370631 921046490 /nfs/dbraw/zinc/04/64/90/921046490.db2.gz BKWKBWOIMGTPJY-UHFFFAOYSA-N -1 3 376.456 3.649 20 30 GHEDHM O=C(c1cn(Cc2cccc(F)c2)nn1)N([O-])Cc1cccc2ccccc21 ZINC000901371231 921047588 /nfs/dbraw/zinc/04/75/88/921047588.db2.gz PBWHMWPKIRHYNS-UHFFFAOYSA-N -1 3 376.391 3.650 20 30 GHEDHM O=C([C@H]1CCOc2ccc(Br)cc21)N([O-])Cc1ccc(F)cc1 ZINC000901372515 921047778 /nfs/dbraw/zinc/04/77/78/921047778.db2.gz FRBLGFGVGRUCCV-AWEZNQCLSA-N -1 3 380.213 3.872 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000372211494 925249574 /nfs/dbraw/zinc/24/95/74/925249574.db2.gz OSZBFSBSTNGULT-UHFFFAOYSA-N -1 3 399.441 3.893 20 30 GHEDHM C[C@]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)(C1CC1)C(F)(F)F ZINC000410325035 925537224 /nfs/dbraw/zinc/53/72/24/925537224.db2.gz GPTISLRVBIJSBB-LBPRGKRZSA-N -1 3 386.317 3.586 20 30 GHEDHM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCCO2)c1cnc2ccccc2n1 ZINC000682994688 926322495 /nfs/dbraw/zinc/32/24/95/926322495.db2.gz KHMGRSAROQJGQP-ZDUSSCGKSA-N -1 3 379.803 3.935 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cc(Br)cc(OC(C)C)c2)c1[O-] ZINC000751890002 928455983 /nfs/dbraw/zinc/45/59/83/928455983.db2.gz HVAKCDVUARCPEI-UHFFFAOYSA-N -1 3 379.254 3.888 20 30 GHEDHM COc1ccc(C(=O)Nc2ccc(C([O-])=C(C#N)c3ccccn3)s2)cc1 ZINC000467091946 928689302 /nfs/dbraw/zinc/68/93/02/928689302.db2.gz MXIVPPJAGKGPHX-OAHLLOKOSA-N -1 3 377.425 3.894 20 30 GHEDHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471089092 931142493 /nfs/dbraw/zinc/14/24/93/931142493.db2.gz OLDDELZKJILSFI-PELKAZGASA-N -1 3 390.274 3.569 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccnc(C2CC2)c1 ZINC000783349818 931523878 /nfs/dbraw/zinc/52/38/78/931523878.db2.gz JZDJXRHQQMFUNX-AWEZNQCLSA-N -1 3 383.835 3.891 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)ccc1F ZINC000558593455 932092421 /nfs/dbraw/zinc/09/24/21/932092421.db2.gz UDPVTWKNDDOIRR-UHFFFAOYSA-N -1 3 383.404 3.994 20 30 GHEDHM COC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[n-]1 ZINC000559536572 932722324 /nfs/dbraw/zinc/72/23/24/932722324.db2.gz YGWJQHNMDRXBSV-UHFFFAOYSA-N -1 3 375.384 3.504 20 30 GHEDHM C=CC[C@H](CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000799035516 932858508 /nfs/dbraw/zinc/85/85/08/932858508.db2.gz ZRTBRZZIESFLHQ-JTQLQIEISA-N -1 3 391.320 3.519 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cn1 ZINC000799602520 933059713 /nfs/dbraw/zinc/05/97/13/933059713.db2.gz SYRHAHDYKMGUBZ-QGZVFWFLSA-N -1 3 387.395 3.844 20 30 GHEDHM CC#CCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000931618424 934646616 /nfs/dbraw/zinc/64/66/16/934646616.db2.gz XQKJNGNFHIKONV-UHFFFAOYSA-N -1 3 385.489 3.639 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001121607918 934713667 /nfs/dbraw/zinc/71/36/67/934713667.db2.gz QBTBINWOUMWEDM-HNNXBMFYSA-N -1 3 396.882 3.582 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC=C(c2ccc(C)cc2)CC1 ZINC001121707737 934744237 /nfs/dbraw/zinc/74/42/37/934744237.db2.gz BYXGNHHYMBSYHO-UHFFFAOYSA-N -1 3 388.475 3.537 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](COC)C3)n2CC2CC2)c1[O-] ZINC001123618270 935238606 /nfs/dbraw/zinc/23/86/06/935238606.db2.gz MDKNJULEQXWXJP-KRWDZBQOSA-N -1 3 382.508 3.652 20 30 GHEDHM C=C(C)[C@@H](NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001573298099 947069360 /nfs/dbraw/zinc/06/93/60/947069360.db2.gz AMFLCWLOBCMVGV-GOSISDBHSA-N -1 3 398.417 3.570 20 30 GHEDHM C=C(C)[C@@H](NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001573298099 947069374 /nfs/dbraw/zinc/06/93/74/947069374.db2.gz AMFLCWLOBCMVGV-GOSISDBHSA-N -1 3 398.417 3.570 20 30 GHEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573325448 947358450 /nfs/dbraw/zinc/35/84/50/947358450.db2.gz CGPORLFMXKPSBU-AWEZNQCLSA-N -1 3 382.855 3.829 20 30 GHEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573325448 947358459 /nfs/dbraw/zinc/35/84/59/947358459.db2.gz CGPORLFMXKPSBU-AWEZNQCLSA-N -1 3 382.855 3.829 20 30 GHEDHM C=CCCC[C@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccccc1 ZINC001573334445 947453433 /nfs/dbraw/zinc/45/34/33/947453433.db2.gz CZJZBVNCZDDIQO-FQEVSTJZSA-N -1 3 388.475 3.990 20 30 GHEDHM C=CCCC[C@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccccc1 ZINC001573334445 947453441 /nfs/dbraw/zinc/45/34/41/947453441.db2.gz CZJZBVNCZDDIQO-FQEVSTJZSA-N -1 3 388.475 3.990 20 30 GHEDHM C=CCCCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001573335115 947472675 /nfs/dbraw/zinc/47/26/75/947472675.db2.gz LOCVNBOJRLEWLQ-UHFFFAOYSA-N -1 3 377.448 3.532 20 30 GHEDHM C=CCCCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001573335115 947472681 /nfs/dbraw/zinc/47/26/81/947472681.db2.gz LOCVNBOJRLEWLQ-UHFFFAOYSA-N -1 3 377.448 3.532 20 30 GHEDHM C=C[C@@H](C(=O)[O-])N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001588668831 983806505 /nfs/dbraw/zinc/80/65/05/983806505.db2.gz AKKXCZCMGMOBBR-FQEVSTJZSA-N -1 3 386.879 3.680 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc2c(Br)cccn2n1 ZINC001154736252 1032262928 /nfs/dbraw/zinc/26/29/28/1032262928.db2.gz FTKWANWXVMQSGG-UHFFFAOYSA-N -1 3 381.189 3.967 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCCc2ccc(C(F)(F)F)nc2)n1 ZINC001155137428 1032430766 /nfs/dbraw/zinc/43/07/66/1032430766.db2.gz JYYCXPPNGACRRC-QPSGOUHRSA-N -1 3 391.806 3.728 20 30 GHEDHM CC#CCN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000931619674 1018012696 /nfs/dbraw/zinc/01/26/96/1018012696.db2.gz FSFZBZYKCVHXEL-UHFFFAOYSA-N -1 3 385.489 3.591 20 30 GHEDHM Cc1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1NCC1CC1 ZINC001155906727 1032781685 /nfs/dbraw/zinc/78/16/85/1032781685.db2.gz DCTFFDQEBNHJHG-UHFFFAOYSA-N -1 3 381.358 3.753 20 30 GHEDHM N#Cc1cccnc1N1CCC(Oc2cc(C(=O)c3ccccc3)ccc2[O-])CC1 ZINC001228155320 1032812053 /nfs/dbraw/zinc/81/20/53/1032812053.db2.gz RRPAPKYLWZKOIN-UHFFFAOYSA-N -1 3 399.450 3.938 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228626513 1033017236 /nfs/dbraw/zinc/01/72/36/1033017236.db2.gz AQGJPUJDCFEUEZ-INIZCTEOSA-N -1 3 387.432 3.751 20 30 GHEDHM Cc1ncc(S(=O)(=O)[N-]Cc2cccc(-c3ccc(C#N)s3)c2)s1 ZINC000754804503 1022905026 /nfs/dbraw/zinc/90/50/26/1022905026.db2.gz HMTSCGZHUNAMSP-UHFFFAOYSA-N -1 3 375.500 3.530 20 30 GHEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(Br)cc1[O-] ZINC000756823998 1023827906 /nfs/dbraw/zinc/82/79/06/1023827906.db2.gz PQMBPOILRGQTQS-UHFFFAOYSA-N -1 3 378.123 3.942 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC001141464196 1025127245 /nfs/dbraw/zinc/12/72/45/1025127245.db2.gz ZHZNIOGNWTYGAO-LBPRGKRZSA-N -1 3 385.272 3.832 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)ccc1C#N ZINC001211187954 1027832267 /nfs/dbraw/zinc/83/22/67/1027832267.db2.gz ZBIKKAGTKOHLOL-OAHLLOKOSA-N -1 3 390.333 3.727 20 30 GHEDHM C=CCOCc1nn(C)c2c1CN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142109521 1028129481 /nfs/dbraw/zinc/12/94/81/1028129481.db2.gz SRQGPVCWBRSCQP-UHFFFAOYSA-N -1 3 382.291 3.693 20 30 GHEDHM Cc1ccc2[nH]c(C(=O)NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc2c1 ZINC001149488726 1030192703 /nfs/dbraw/zinc/19/27/03/1030192703.db2.gz SMAIFVSLBPDQSC-UHFFFAOYSA-N -1 3 377.322 3.941 20 30 GHEDHM C=C(C)CN1CC[C@@]2(CCCN(Cc3cc(F)c([O-])c(Cl)c3)CC2)C1=O ZINC001276998386 1031128483 /nfs/dbraw/zinc/12/84/83/1031128483.db2.gz HOSSRVHOLMYUHY-FQEVSTJZSA-N -1 3 380.891 3.965 20 30 GHEDHM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1n[nH]c2cc(C#N)ccc21 ZINC001156879225 1033300928 /nfs/dbraw/zinc/30/09/28/1033300928.db2.gz YTHFRNUCLJXMEH-UHFFFAOYSA-N -1 3 394.774 3.873 20 30 GHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1cc2c(cc1F)C(=O)CCC2 ZINC001157049478 1033387089 /nfs/dbraw/zinc/38/70/89/1033387089.db2.gz UAZGDQKGQQWVNA-UHFFFAOYSA-N -1 3 386.386 3.926 20 30 GHEDHM CSc1nc(Cl)c(C#N)c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724632 1033740468 /nfs/dbraw/zinc/74/04/68/1033740468.db2.gz PPQRRYBXABNMNH-UHFFFAOYSA-N -1 3 392.271 3.665 20 30 GHEDHM C=CC[S@@](=O)(=NC(=O)c1c[n-]cc2nc(C(F)(F)F)nc1-2)c1ccccc1 ZINC001158670622 1034225070 /nfs/dbraw/zinc/22/50/70/1034225070.db2.gz VQGDUQQITIHGSW-MHZLTWQESA-N -1 3 394.378 3.830 20 30 GHEDHM C#CC[C@@H](C)Oc1c(Cl)cc(Cl)c([O-])c1C(=O)NC[C@@H]1CCCN1CC ZINC001231240103 1034479237 /nfs/dbraw/zinc/47/92/37/1034479237.db2.gz QJOMGQDOMCNTFR-OLZOCXBDSA-N -1 3 399.318 3.704 20 30 GHEDHM C=CCN1CC2(CCC1=O)CCN(Cc1ccc(Br)c([O-])c1)CC2 ZINC001277549203 1034826176 /nfs/dbraw/zinc/82/61/76/1034826176.db2.gz WRXZCRUDRZTDRZ-UHFFFAOYSA-N -1 3 393.325 3.545 20 30 GHEDHM COc1cc(C(=O)N([O-])Cc2cccc3ccccc32)cc(NC(C)=O)c1OC ZINC001161843055 1035313623 /nfs/dbraw/zinc/31/36/23/1035313623.db2.gz YUVLZDQSOYRRNW-UHFFFAOYSA-N -1 3 394.427 3.847 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cnccc1Br ZINC001243051830 1036018199 /nfs/dbraw/zinc/01/81/99/1036018199.db2.gz BGGRYZFVAXCOJL-UFWORHAWSA-N -1 3 377.242 3.699 20 30 GHEDHM N#C/N=C1\SCCN1Cc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244456361 1036509718 /nfs/dbraw/zinc/50/97/18/1036509718.db2.gz FEVXDQVQTVSBHT-KQWNVCNZSA-N -1 3 394.378 3.739 20 30 GHEDHM N#Cc1ccc(NC(=S)Nc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)cc1 ZINC001245924460 1037058623 /nfs/dbraw/zinc/05/86/23/1037058623.db2.gz RMIGTEZEFGHVDC-UHFFFAOYSA-N -1 3 399.431 3.848 20 30 GHEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(OC)c([O-])c1Cl)CCO2 ZINC001233399727 1039237896 /nfs/dbraw/zinc/23/78/96/1039237896.db2.gz HUIMBWZVIYILQB-OXJNMPFZSA-N -1 3 381.900 3.628 20 30 GHEDHM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1ccc(/C=N/[O-])cc1OC ZINC001233807636 1039632462 /nfs/dbraw/zinc/63/24/62/1039632462.db2.gz WVBHHQLNUDSFIS-QCXKMSLLSA-N -1 3 379.334 3.982 20 30 GHEDHM C#CC[C@@H](CC)Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC ZINC001234758763 1040287795 /nfs/dbraw/zinc/28/77/95/1040287795.db2.gz VUKFUORIVVCXBJ-GFCCVEGCSA-N -1 3 398.411 3.858 20 30 GHEDHM C#CC[C@@H](CC)Oc1c(OC)cc2c(oc3cc(OC)cc([O-])c3c2=O)c1OC ZINC001234758763 1040287799 /nfs/dbraw/zinc/28/77/99/1040287799.db2.gz VUKFUORIVVCXBJ-GFCCVEGCSA-N -1 3 398.411 3.858 20 30 GHEDHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C#N)c1 ZINC001257621768 1044090632 /nfs/dbraw/zinc/09/06/32/1044090632.db2.gz YBSQCLTVSIDZBO-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1Br ZINC001259205204 1045008603 /nfs/dbraw/zinc/00/86/03/1045008603.db2.gz GSMDIFJBJWPTNL-UHFFFAOYSA-N -1 3 399.241 3.578 20 30 GHEDHM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001260887885 1045743637 /nfs/dbraw/zinc/74/36/37/1045743637.db2.gz ZDJJDCCKFNZUCC-GFCCVEGCSA-N -1 3 399.232 3.684 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001298838099 1045961917 /nfs/dbraw/zinc/96/19/17/1045961917.db2.gz UTMPFEFNRKQLTG-HNNXBMFYSA-N -1 3 384.304 3.519 20 30 GHEDHM N#CC(=C([O-])c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)c1ccncn1 ZINC001263380375 1046764586 /nfs/dbraw/zinc/76/45/86/1046764586.db2.gz ORPQQEZCSSPFFD-GOSISDBHSA-N -1 3 380.411 3.578 20 30 GHEDHM C#CCN(C(=O)c1cc([O-])ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303655493 1047466750 /nfs/dbraw/zinc/46/67/50/1047466750.db2.gz FVBSSAWURPRACH-UHFFFAOYSA-N -1 3 392.883 3.521 20 30 GHEDHM O=C(Cn1cccc(C(F)(F)F)c1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306892546 1048948093 /nfs/dbraw/zinc/94/80/93/1048948093.db2.gz GEKQFMHQGGBQKD-UHFFFAOYSA-N -1 3 395.164 3.592 20 30 GHEDHM CCCNC(=O)Nc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001306895330 1048949028 /nfs/dbraw/zinc/94/90/28/1048949028.db2.gz YHXKFXRFDVNAJJ-UHFFFAOYSA-N -1 3 375.856 3.832 20 30 GHEDHM C=CCCC1(CNC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCCC1 ZINC001329890737 1050918918 /nfs/dbraw/zinc/91/89/18/1050918918.db2.gz GQYXGWQQGZHOCI-UHFFFAOYSA-N -1 3 397.516 3.523 20 30 GHEDHM O=C(Cn1cc(C(F)(F)F)ccc1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001334856295 1051990933 /nfs/dbraw/zinc/99/09/33/1051990933.db2.gz DLDZRUIIBCBMRD-UHFFFAOYSA-N -1 3 395.164 3.592 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(C2CCOCC2)cc1 ZINC001336669813 1052301468 /nfs/dbraw/zinc/30/14/68/1052301468.db2.gz NKCQFQCVTFIUST-UHFFFAOYSA-N -1 3 380.444 3.708 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001343286174 1053678176 /nfs/dbraw/zinc/67/81/76/1053678176.db2.gz FBUQKMFOBDVALP-ZDUSSCGKSA-N -1 3 394.454 3.588 20 30 GHEDHM Cc1nc(-c2ccc([C@@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)cc2)cs1 ZINC001317824979 1054268807 /nfs/dbraw/zinc/26/88/07/1054268807.db2.gz RVNFBHKRQXJZPY-GFCCVEGCSA-N -1 3 383.498 3.918 20 30 GHEDHM O=C(c1ccccc1)N1CCC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC001318166255 1054465942 /nfs/dbraw/zinc/46/59/42/1054465942.db2.gz LLDUUDFILGMQCX-KKJJZKEWSA-N -1 3 387.277 3.878 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC001318908108 1054945858 /nfs/dbraw/zinc/94/58/58/1054945858.db2.gz FHDKHAZTTNRRHV-UHFFFAOYSA-N -1 3 375.881 3.807 20 30 GHEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC001320980128 1056042624 /nfs/dbraw/zinc/04/26/24/1056042624.db2.gz KUGGFNDREOFEJI-MRVPVSSYSA-N -1 3 392.202 3.598 20 30 GHEDHM C[C@H]1CCc2nc([N-]C(=O)c3ncsc3Br)c(C#N)cc2C1 ZINC001337759284 1058251696 /nfs/dbraw/zinc/25/16/96/1058251696.db2.gz VGWQPQFETAPPNZ-QMMMGPOBSA-N -1 3 377.267 3.549 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc3ccc(C)cc3c2)ccc1F ZINC001439849350 1058321678 /nfs/dbraw/zinc/32/16/78/1058321678.db2.gz WOKZUEVXXQFZJV-UHFFFAOYSA-N -1 3 399.443 3.971 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C)(C#N)CC1 ZINC001340143690 1059723327 /nfs/dbraw/zinc/72/33/27/1059723327.db2.gz FWBQDVSITFPCSH-UHFFFAOYSA-N -1 3 380.477 3.576 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1c(C)cccc1C ZINC001340715708 1060073281 /nfs/dbraw/zinc/07/32/81/1060073281.db2.gz LOVXFGSRSZYHOV-GOSISDBHSA-N -1 3 390.491 3.893 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CC1=CCSC1 ZINC001341950897 1060965330 /nfs/dbraw/zinc/96/53/30/1060965330.db2.gz HIQFMOXVDFNAFO-UHFFFAOYSA-N -1 3 385.518 3.556 20 30 GHEDHM O=C([C@H]1CCCN1c1ncnc2sccc21)N([O-])CCCCc1ccccc1 ZINC001457996215 1063495341 /nfs/dbraw/zinc/49/53/41/1063495341.db2.gz YVGBIWXHBZDDKT-GOSISDBHSA-N -1 3 396.516 3.901 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3coc4c3C(=O)NCC(C)(C)C4)sc2C1 ZINC001349230696 1063602595 /nfs/dbraw/zinc/60/25/95/1063602595.db2.gz WAVFHDRNJJURHG-LLVKDONJSA-N -1 3 397.500 3.902 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cccc(C(F)(F)F)c21 ZINC001459945461 1064292751 /nfs/dbraw/zinc/29/27/51/1064292751.db2.gz NQCZLQJSQDTXAS-UHFFFAOYSA-N -1 3 389.377 3.816 20 30 GHEDHM O=C(Nc1cccc(CSCc2ccccc2)c1)N[C@@H]1CCCN([O-])C1=O ZINC001465651802 1065769945 /nfs/dbraw/zinc/76/99/45/1065769945.db2.gz ZTTYQOSOBGLFIJ-GOSISDBHSA-N -1 3 385.489 3.622 20 30 GHEDHM CC(C)(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000847623314 1065775468 /nfs/dbraw/zinc/77/54/68/1065775468.db2.gz HYRIBCBGFNTFOZ-ZDUSSCGKSA-N -1 3 392.431 3.914 20 30 GHEDHM C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)c(F)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001467073018 1067049284 /nfs/dbraw/zinc/04/92/84/1067049284.db2.gz GIGXHCPYLBOMHW-RXMQYKEDSA-N -1 3 385.243 3.864 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOC)c1[O-] ZINC001358202596 1067437811 /nfs/dbraw/zinc/43/78/11/1067437811.db2.gz XKYOISJGJIHPBH-JOCHJYFZSA-N -1 3 395.507 3.546 20 30 GHEDHM CCCCCCCNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001470384135 1068714018 /nfs/dbraw/zinc/71/40/18/1068714018.db2.gz BZSFIGQWNCSFJX-UHFFFAOYSA-N -1 3 383.448 3.693 20 30 GHEDHM N#CC[C@H](CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1 ZINC001472242273 1073381567 /nfs/dbraw/zinc/38/15/67/1073381567.db2.gz HOUZIMLMMGVAGI-GOSISDBHSA-N -1 3 388.427 3.793 20 30 GHEDHM N#CC[C@H](CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1 ZINC001472242273 1073381574 /nfs/dbraw/zinc/38/15/74/1073381574.db2.gz HOUZIMLMMGVAGI-GOSISDBHSA-N -1 3 388.427 3.793 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)ccc1Cl ZINC001475277684 1074818550 /nfs/dbraw/zinc/81/85/50/1074818550.db2.gz WIPIYSPFOFIYIO-UHFFFAOYSA-N -1 3 391.226 3.935 20 30 GHEDHM C=C(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1 ZINC001475364234 1074850173 /nfs/dbraw/zinc/85/01/73/1074850173.db2.gz NBCCXFGUHYALHS-UHFFFAOYSA-N -1 3 375.343 3.716 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1OC ZINC000736310385 598830184 /nfs/dbraw/zinc/83/01/84/598830184.db2.gz YKQYBHOJFLKDEM-CQSZACIVSA-N -1 3 398.854 3.822 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1OC ZINC000736310385 598830186 /nfs/dbraw/zinc/83/01/86/598830186.db2.gz YKQYBHOJFLKDEM-CQSZACIVSA-N -1 3 398.854 3.822 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735409244 598838439 /nfs/dbraw/zinc/83/84/39/598838439.db2.gz WHDSFVJWWONQJR-UHFFFAOYSA-N -1 3 392.463 3.872 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735409244 598838440 /nfs/dbraw/zinc/83/84/40/598838440.db2.gz WHDSFVJWWONQJR-UHFFFAOYSA-N -1 3 392.463 3.872 20 30 GHEDHM C[C@H](CC#N)OC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735977660 598858241 /nfs/dbraw/zinc/85/82/41/598858241.db2.gz WJSZDRHIRADFIU-CYBMUJFWSA-N -1 3 379.445 3.618 20 30 GHEDHM C[C@H](CC#N)OC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735977660 598858242 /nfs/dbraw/zinc/85/82/42/598858242.db2.gz WJSZDRHIRADFIU-CYBMUJFWSA-N -1 3 379.445 3.618 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1-c1nnn[n-]1 ZINC000737717798 598914152 /nfs/dbraw/zinc/91/41/52/598914152.db2.gz AYKRGYBARLUIPW-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1-c1nn[n-]n1 ZINC000737717798 598914153 /nfs/dbraw/zinc/91/41/53/598914153.db2.gz AYKRGYBARLUIPW-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737718944 598917866 /nfs/dbraw/zinc/91/78/66/598917866.db2.gz NZCUHVYGEIVPJG-UHFFFAOYSA-N -1 3 390.350 3.603 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737718944 598917868 /nfs/dbraw/zinc/91/78/68/598917868.db2.gz NZCUHVYGEIVPJG-UHFFFAOYSA-N -1 3 390.350 3.603 20 30 GHEDHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737325337 598925714 /nfs/dbraw/zinc/92/57/14/598925714.db2.gz DCQKXQHOYTVPLP-UHFFFAOYSA-N -1 3 390.447 3.543 20 30 GHEDHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737325337 598925715 /nfs/dbraw/zinc/92/57/15/598925715.db2.gz DCQKXQHOYTVPLP-UHFFFAOYSA-N -1 3 390.447 3.543 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737727202 598926669 /nfs/dbraw/zinc/92/66/69/598926669.db2.gz GFDQSEIPDKSQQO-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737727202 598926670 /nfs/dbraw/zinc/92/66/70/598926670.db2.gz GFDQSEIPDKSQQO-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000735391323 598986017 /nfs/dbraw/zinc/98/60/17/598986017.db2.gz PLXRBZLHDLLRDI-UHFFFAOYSA-N -1 3 395.422 3.679 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC(F)F ZINC000821786421 599113326 /nfs/dbraw/zinc/11/33/26/599113326.db2.gz DGWDKFCASRFXJE-MDWZMJQESA-N -1 3 398.369 3.689 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC(F)F ZINC000821786421 599113328 /nfs/dbraw/zinc/11/33/28/599113328.db2.gz DGWDKFCASRFXJE-MDWZMJQESA-N -1 3 398.369 3.689 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3cccs3)CCCCC2)ccc1-c1nnn[n-]1 ZINC000737704352 599195925 /nfs/dbraw/zinc/19/59/25/599195925.db2.gz HNJIXKHHMISTOU-UHFFFAOYSA-N -1 3 378.461 3.640 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3cccs3)CCCCC2)ccc1-c1nn[n-]n1 ZINC000737704352 599195927 /nfs/dbraw/zinc/19/59/27/599195927.db2.gz HNJIXKHHMISTOU-UHFFFAOYSA-N -1 3 378.461 3.640 20 30 GHEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735963343 599199004 /nfs/dbraw/zinc/19/90/04/599199004.db2.gz DQNBFVKEBCKBIL-LBPRGKRZSA-N -1 3 396.838 3.687 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccco1 ZINC000735443374 599286742 /nfs/dbraw/zinc/28/67/42/599286742.db2.gz UCAJDBKRPROQKK-GFCCVEGCSA-N -1 3 379.449 3.758 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccco1 ZINC000735443374 599286745 /nfs/dbraw/zinc/28/67/45/599286745.db2.gz UCAJDBKRPROQKK-GFCCVEGCSA-N -1 3 379.449 3.758 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735426872 598275954 /nfs/dbraw/zinc/27/59/54/598275954.db2.gz ZDZJCMFREYAIDH-UHFFFAOYSA-N -1 3 385.497 3.705 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735426872 598275956 /nfs/dbraw/zinc/27/59/56/598275956.db2.gz ZDZJCMFREYAIDH-UHFFFAOYSA-N -1 3 385.497 3.705 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000735418648 598289978 /nfs/dbraw/zinc/28/99/78/598289978.db2.gz HXDILGWFQDPBEZ-HNNXBMFYSA-N -1 3 387.447 3.666 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000735418648 598289979 /nfs/dbraw/zinc/28/99/79/598289979.db2.gz HXDILGWFQDPBEZ-HNNXBMFYSA-N -1 3 387.447 3.666 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735505569 598495525 /nfs/dbraw/zinc/49/55/25/598495525.db2.gz RGUDVWWBNQWUAM-BMSUMIBZSA-N -1 3 390.472 3.770 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735505569 598495526 /nfs/dbraw/zinc/49/55/26/598495526.db2.gz RGUDVWWBNQWUAM-BMSUMIBZSA-N -1 3 390.472 3.770 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000735419373 598497687 /nfs/dbraw/zinc/49/76/87/598497687.db2.gz SCVFBXYVQOXQTA-INIZCTEOSA-N -1 3 375.476 3.747 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000735419373 598497688 /nfs/dbraw/zinc/49/76/88/598497688.db2.gz SCVFBXYVQOXQTA-INIZCTEOSA-N -1 3 375.476 3.747 20 30 GHEDHM Cc1c(C(=O)C=Cc2c[nH]nc2-c2cccc(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737381557 598640667 /nfs/dbraw/zinc/64/06/67/598640667.db2.gz ZRWSHFBTXXSAFR-HJWRWDBZSA-N -1 3 399.458 3.517 20 30 GHEDHM Cc1c(C(=O)C=Cc2c[nH]nc2-c2cccc(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737381557 598640669 /nfs/dbraw/zinc/64/06/69/598640669.db2.gz ZRWSHFBTXXSAFR-HJWRWDBZSA-N -1 3 399.458 3.517 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000735390867 598660001 /nfs/dbraw/zinc/66/00/01/598660001.db2.gz GMKDEEHCJOOXBT-UHFFFAOYSA-N -1 3 379.423 3.792 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000735390867 598660002 /nfs/dbraw/zinc/66/00/02/598660002.db2.gz GMKDEEHCJOOXBT-UHFFFAOYSA-N -1 3 379.423 3.792 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000735426280 598722190 /nfs/dbraw/zinc/72/21/90/598722190.db2.gz OJOSKQSKLAVHHI-UHFFFAOYSA-N -1 3 389.438 3.515 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000735420258 598741238 /nfs/dbraw/zinc/74/12/38/598741238.db2.gz NRLLUSMKBATGOO-QGZVFWFLSA-N -1 3 387.487 3.577 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000735420258 598741239 /nfs/dbraw/zinc/74/12/39/598741239.db2.gz NRLLUSMKBATGOO-QGZVFWFLSA-N -1 3 387.487 3.577 20 30 GHEDHM N#CCC[C@H](C#N)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822806299 599387683 /nfs/dbraw/zinc/38/76/83/599387683.db2.gz LSMIDNAIPMNTID-CYBMUJFWSA-N -1 3 377.383 3.654 20 30 GHEDHM N#CCC[C@H](C#N)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822806299 599387684 /nfs/dbraw/zinc/38/76/84/599387684.db2.gz LSMIDNAIPMNTID-CYBMUJFWSA-N -1 3 377.383 3.654 20 30 GHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000735402084 599500956 /nfs/dbraw/zinc/50/09/56/599500956.db2.gz HLLRMENLDDWCPS-UHFFFAOYSA-N -1 3 384.827 3.841 20 30 GHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000735402084 599500959 /nfs/dbraw/zinc/50/09/59/599500959.db2.gz HLLRMENLDDWCPS-UHFFFAOYSA-N -1 3 384.827 3.841 20 30 GHEDHM C=CCc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000819759282 599507158 /nfs/dbraw/zinc/50/71/58/599507158.db2.gz RVOKCYCLYRZUEP-UHFFFAOYSA-N -1 3 385.855 3.878 20 30 GHEDHM C=CCc1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000819759282 599507160 /nfs/dbraw/zinc/50/71/60/599507160.db2.gz RVOKCYCLYRZUEP-UHFFFAOYSA-N -1 3 385.855 3.878 20 30 GHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000736662743 600595534 /nfs/dbraw/zinc/59/55/34/600595534.db2.gz SSJGMZHCYSZVNS-SJCJKPOMSA-N -1 3 378.350 3.976 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740277695 602669997 /nfs/dbraw/zinc/66/99/97/602669997.db2.gz MFQHALLNOCQBHA-HOTGVXAUSA-N -1 3 376.416 3.539 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000823909626 607674664 /nfs/dbraw/zinc/67/46/64/607674664.db2.gz LEOVMUDYGYOXBD-SJORKVTESA-N -1 3 379.489 3.555 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000823909626 607674667 /nfs/dbraw/zinc/67/46/67/607674667.db2.gz LEOVMUDYGYOXBD-SJORKVTESA-N -1 3 379.489 3.555 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(SCC)cc1 ZINC000823909614 607709293 /nfs/dbraw/zinc/70/92/93/607709293.db2.gz KZBDOPYYKAWDSB-UHFFFAOYSA-N -1 3 393.516 3.736 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(SCC)cc1 ZINC000823909614 607709294 /nfs/dbraw/zinc/70/92/94/607709294.db2.gz KZBDOPYYKAWDSB-UHFFFAOYSA-N -1 3 393.516 3.736 20 30 GHEDHM N#CC(C(=O)CCC1CCN(C(=O)[O-])CC1)c1nc2ccccc2n1C(F)F ZINC000833961482 606084896 /nfs/dbraw/zinc/08/48/96/606084896.db2.gz RBWZJECZSUZHJY-CYBMUJFWSA-N -1 3 390.390 3.778 20 30 GHEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820016919 606251088 /nfs/dbraw/zinc/25/10/88/606251088.db2.gz QSLMOAOBKMSBLD-FQEVSTJZSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820016919 606251089 /nfs/dbraw/zinc/25/10/89/606251089.db2.gz QSLMOAOBKMSBLD-FQEVSTJZSA-N -1 3 392.488 3.686 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504169 606306205 /nfs/dbraw/zinc/30/62/05/606306205.db2.gz MZOTVIVXHRCGCD-IOAOBRTFSA-N -1 3 379.401 3.666 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504169 606306207 /nfs/dbraw/zinc/30/62/07/606306207.db2.gz MZOTVIVXHRCGCD-IOAOBRTFSA-N -1 3 379.401 3.666 20 30 GHEDHM C=CCN(Cc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819745950 606484608 /nfs/dbraw/zinc/48/46/08/606484608.db2.gz WGCCPTXTIDXTRC-UHFFFAOYSA-N -1 3 396.401 3.528 20 30 GHEDHM C=CCN(Cc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819745950 606484610 /nfs/dbraw/zinc/48/46/10/606484610.db2.gz WGCCPTXTIDXTRC-UHFFFAOYSA-N -1 3 396.401 3.528 20 30 GHEDHM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000819987867 606621341 /nfs/dbraw/zinc/62/13/41/606621341.db2.gz OSADRBFOVWHHFW-UHFFFAOYSA-N -1 3 380.839 3.599 20 30 GHEDHM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000819987867 606621343 /nfs/dbraw/zinc/62/13/43/606621343.db2.gz OSADRBFOVWHHFW-UHFFFAOYSA-N -1 3 380.839 3.599 20 30 GHEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000820549719 606850989 /nfs/dbraw/zinc/85/09/89/606850989.db2.gz QUQXRXAMJAVWIQ-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000820549719 606850990 /nfs/dbraw/zinc/85/09/90/606850990.db2.gz QUQXRXAMJAVWIQ-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C#N ZINC000824723218 607807056 /nfs/dbraw/zinc/80/70/56/607807056.db2.gz NANMIHOXZBTCBT-AWEZNQCLSA-N -1 3 391.431 3.541 20 30 GHEDHM O=[N+]([O-])c1ccccc1C[C@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000826499892 607808352 /nfs/dbraw/zinc/80/83/52/607808352.db2.gz CZVCJAQZLOFOFF-CYBMUJFWSA-N -1 3 377.408 3.586 20 30 GHEDHM O=[N+]([O-])c1ccccc1C[C@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000826499892 607808353 /nfs/dbraw/zinc/80/83/53/607808353.db2.gz CZVCJAQZLOFOFF-CYBMUJFWSA-N -1 3 377.408 3.586 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(OC(F)F)c(F)c1 ZINC000826475663 607842907 /nfs/dbraw/zinc/84/29/07/607842907.db2.gz MOVGWUVCIIMGEB-GHXNOFRVSA-N -1 3 386.333 3.820 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(OC(F)F)c(F)c1 ZINC000826475663 607842908 /nfs/dbraw/zinc/84/29/08/607842908.db2.gz MOVGWUVCIIMGEB-GHXNOFRVSA-N -1 3 386.333 3.820 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)OCC ZINC000823874796 607924065 /nfs/dbraw/zinc/92/40/65/607924065.db2.gz YYPVWKLDRKAXOE-OAHLLOKOSA-N -1 3 383.477 3.905 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)OCC ZINC000823874796 607924066 /nfs/dbraw/zinc/92/40/66/607924066.db2.gz YYPVWKLDRKAXOE-OAHLLOKOSA-N -1 3 383.477 3.905 20 30 GHEDHM C#CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000823838985 607959976 /nfs/dbraw/zinc/95/99/76/607959976.db2.gz XSOOWKJQXBDYBS-FQEVSTJZSA-N -1 3 388.475 3.551 20 30 GHEDHM C#CC[C@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000823838985 607959977 /nfs/dbraw/zinc/95/99/77/607959977.db2.gz XSOOWKJQXBDYBS-FQEVSTJZSA-N -1 3 388.475 3.551 20 30 GHEDHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccccc1C#N ZINC000824757165 608206019 /nfs/dbraw/zinc/20/60/19/608206019.db2.gz TUXAHTPBNUQAMX-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccccc1C#N ZINC000824757165 608206020 /nfs/dbraw/zinc/20/60/20/608206020.db2.gz TUXAHTPBNUQAMX-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM N#CCc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000826382134 608305506 /nfs/dbraw/zinc/30/55/06/608305506.db2.gz PZKRNVJLFYBGIR-UHFFFAOYSA-N -1 3 394.438 3.530 20 30 GHEDHM N#CCc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826382134 608305507 /nfs/dbraw/zinc/30/55/07/608305507.db2.gz PZKRNVJLFYBGIR-UHFFFAOYSA-N -1 3 394.438 3.530 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1SC[C@@H](C)C#N ZINC000826170630 608320531 /nfs/dbraw/zinc/32/05/31/608320531.db2.gz IXKVTQSFZCYYMQ-ZDUSSCGKSA-N -1 3 380.477 3.739 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1SC[C@@H](C)C#N ZINC000826170630 608320533 /nfs/dbraw/zinc/32/05/33/608320533.db2.gz IXKVTQSFZCYYMQ-ZDUSSCGKSA-N -1 3 380.477 3.739 20 30 GHEDHM CCOc1ccc(Cl)cc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825639509 608535927 /nfs/dbraw/zinc/53/59/27/608535927.db2.gz YOYZQBUPYLPGPL-UHFFFAOYSA-N -1 3 392.250 3.803 20 30 GHEDHM CCOc1ccc(Cl)cc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825639509 608535928 /nfs/dbraw/zinc/53/59/28/608535928.db2.gz YOYZQBUPYLPGPL-UHFFFAOYSA-N -1 3 392.250 3.803 20 30 GHEDHM C=CCC[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000823894158 608537204 /nfs/dbraw/zinc/53/72/04/608537204.db2.gz JAHAEMYRVDMZKP-GOSISDBHSA-N -1 3 387.447 3.714 20 30 GHEDHM N#Cc1cccc(NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000826387478 608872201 /nfs/dbraw/zinc/87/22/01/608872201.db2.gz XBAFYRRPWMGUTQ-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cccc(NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826387478 608872204 /nfs/dbraw/zinc/87/22/04/608872204.db2.gz XBAFYRRPWMGUTQ-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826211010 609270206 /nfs/dbraw/zinc/27/02/06/609270206.db2.gz MFYMROFKTHAPHI-ZZXKWVIFSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211010 609270208 /nfs/dbraw/zinc/27/02/08/609270208.db2.gz MFYMROFKTHAPHI-ZZXKWVIFSA-N -1 3 390.321 3.512 20 30 GHEDHM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403479 609273020 /nfs/dbraw/zinc/27/30/20/609273020.db2.gz TYCMPWRGPVMMFH-RJRFIUFISA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403479 609273021 /nfs/dbraw/zinc/27/30/21/609273021.db2.gz TYCMPWRGPVMMFH-RJRFIUFISA-N -1 3 379.214 3.726 20 30 GHEDHM Cn1cc(C=CC(=O)c2cc3ccccc3o2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359305 609308063 /nfs/dbraw/zinc/30/80/63/609308063.db2.gz BUXXOTWYVPQMME-KHPPLWFESA-N -1 3 396.410 3.910 20 30 GHEDHM Cn1cc(C=CC(=O)c2cc3ccccc3o2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359305 609308065 /nfs/dbraw/zinc/30/80/65/609308065.db2.gz BUXXOTWYVPQMME-KHPPLWFESA-N -1 3 396.410 3.910 20 30 GHEDHM C=CCc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc(OC)c1O ZINC000823937273 609475807 /nfs/dbraw/zinc/47/58/07/609475807.db2.gz PMXBRHHCUWIIGA-UHFFFAOYSA-N -1 3 395.463 3.709 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2S[C@@H](C)[C@H]1C ZINC000176716908 837722729 /nfs/dbraw/zinc/72/27/29/837722729.db2.gz YJUSSFWDAHWSOR-CABCVRRESA-N -1 3 381.501 3.712 20 30 GHEDHM C=CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000683174405 834919257 /nfs/dbraw/zinc/91/92/57/834919257.db2.gz OCVADNZWIGVDLT-KRWDZBQOSA-N -1 3 376.250 3.929 20 30 GHEDHM Cc1nc(COc2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)no1 ZINC000647373662 835506167 /nfs/dbraw/zinc/50/61/67/835506167.db2.gz MILXPXMXPNQVDH-HNNXBMFYSA-N -1 3 380.429 3.781 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC000375987604 836423638 /nfs/dbraw/zinc/42/36/38/836423638.db2.gz XTXFDTGSDKRABB-UHFFFAOYSA-N -1 3 375.472 3.672 20 30 GHEDHM C=CCCO[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066306804 837120112 /nfs/dbraw/zinc/12/01/12/837120112.db2.gz GOUIUBQZFMGLKP-MRXNPFEDSA-N -1 3 388.489 3.716 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000181559837 837959458 /nfs/dbraw/zinc/95/94/58/837959458.db2.gz QMZDVPGTOCUADF-UHFFFAOYSA-N -1 3 391.515 3.715 20 30 GHEDHM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000603835650 861249699 /nfs/dbraw/zinc/24/96/99/861249699.db2.gz DIUOSFWJIYJSMX-LBPRGKRZSA-N -1 3 379.338 3.712 20 30 GHEDHM O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000500516571 843582448 /nfs/dbraw/zinc/58/24/48/843582448.db2.gz KWKVQEIXQRTPQC-UHFFFAOYSA-N -1 3 381.219 3.954 20 30 GHEDHM COc1cc(C=NNCCCOc2ccccc2)cc(Br)c1[O-] ZINC000729148130 844750321 /nfs/dbraw/zinc/75/03/21/844750321.db2.gz SZUHAMDGTODVEJ-UHFFFAOYSA-N -1 3 379.254 3.556 20 30 GHEDHM N#CC(=C([O-])c1cccn1C1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000181407719 844979517 /nfs/dbraw/zinc/97/95/17/844979517.db2.gz PAEUYYSNGFLGOH-INIZCTEOSA-N -1 3 387.447 3.604 20 30 GHEDHM COc1cc(C=NNc2ccc(Br)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000728432649 845434203 /nfs/dbraw/zinc/43/42/03/845434203.db2.gz UTJSJSAOVICOIR-UHFFFAOYSA-N -1 3 384.161 3.657 20 30 GHEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c2ccccc12 ZINC000182410233 845460427 /nfs/dbraw/zinc/46/04/27/845460427.db2.gz ZECQHGZXYYUMNQ-UHFFFAOYSA-N -1 3 383.404 3.610 20 30 GHEDHM N#Cc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000182947871 845715970 /nfs/dbraw/zinc/71/59/70/845715970.db2.gz HJRHXMZTRDVGJM-OAQYLSRUSA-N -1 3 385.423 3.764 20 30 GHEDHM COc1cncc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)n1 ZINC000277341452 845801702 /nfs/dbraw/zinc/80/17/02/845801702.db2.gz WHXZEKFOPNRTHZ-UHFFFAOYSA-N -1 3 382.367 3.762 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000280193294 846318895 /nfs/dbraw/zinc/31/88/95/846318895.db2.gz WJFQLTWSGWTKFA-JCNLHEQBSA-N -1 3 383.879 3.924 20 30 GHEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccco1 ZINC000127573145 847097269 /nfs/dbraw/zinc/09/72/69/847097269.db2.gz WFZKIXVUMVPTBX-FQEVSTJZSA-N -1 3 382.441 3.536 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)CCCCC1 ZINC000486858794 850172170 /nfs/dbraw/zinc/17/21/70/850172170.db2.gz XHZUKMHHLZHGCK-UHFFFAOYSA-N -1 3 393.509 3.843 20 30 GHEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000140369750 850224343 /nfs/dbraw/zinc/22/43/43/850224343.db2.gz HOZJBYYFEJIADN-NSHDSACASA-N -1 3 377.853 3.637 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)ccc1C#N ZINC000435720581 850805426 /nfs/dbraw/zinc/80/54/26/850805426.db2.gz YWARAHDHJAIJNQ-UHFFFAOYSA-N -1 3 378.413 3.804 20 30 GHEDHM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000425538922 851566195 /nfs/dbraw/zinc/56/61/95/851566195.db2.gz STPZHCYLPYBHOI-GFCCVEGCSA-N -1 3 376.382 3.993 20 30 GHEDHM CC(C)(CCC#N)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436739919 852257893 /nfs/dbraw/zinc/25/78/93/852257893.db2.gz PGKFQEIGYNPGGN-HXUWFJFHSA-N -1 3 393.487 3.700 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(-c2ccccc2)cs1 ZINC000151168564 853120147 /nfs/dbraw/zinc/12/01/47/853120147.db2.gz IEZOLZRYMYIREE-GFCCVEGCSA-N -1 3 387.461 3.860 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000126550623 853203894 /nfs/dbraw/zinc/20/38/94/853203894.db2.gz OQWPRCDNFRJOPF-CQSZACIVSA-N -1 3 391.355 3.871 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cccc2c[nH]nc21 ZINC000126603212 853206879 /nfs/dbraw/zinc/20/68/79/853206879.db2.gz UHQIOMVIAHHBGM-CQSZACIVSA-N -1 3 386.383 3.839 20 30 GHEDHM CC(C)n1cc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000732711664 862440508 /nfs/dbraw/zinc/44/05/08/862440508.db2.gz GIAQTIYIGQXMJM-UHFFFAOYSA-N -1 3 383.477 3.711 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)c(F)c1 ZINC000519680326 853367131 /nfs/dbraw/zinc/36/71/31/853367131.db2.gz HDJWUTOAZRTSMV-UHFFFAOYSA-N -1 3 395.253 3.749 20 30 GHEDHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 ZINC000600649731 862494951 /nfs/dbraw/zinc/49/49/51/862494951.db2.gz XDGYNHPYOWALOQ-FQEVSTJZSA-N -1 3 386.473 3.907 20 30 GHEDHM C[C@H]1Cc2sc([N-]C(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@@H](C)C1 ZINC000571170381 853778973 /nfs/dbraw/zinc/77/89/73/853778973.db2.gz VZUAAJJOTZUKQJ-NEPJUHHUSA-N -1 3 381.461 3.791 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(c2ccccc2)(C(C)C)C1 ZINC000571264004 853823137 /nfs/dbraw/zinc/82/31/37/853823137.db2.gz NOXLYKCZEDTBMZ-UHFFFAOYSA-N -1 3 377.488 3.645 20 30 GHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000416962999 854038645 /nfs/dbraw/zinc/03/86/45/854038645.db2.gz UTWUCLRFAVFVJD-VIFPVBQESA-N -1 3 390.305 3.690 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(F)cc3)n2)cc1 ZINC000131701826 855826880 /nfs/dbraw/zinc/82/68/80/855826880.db2.gz FMHRJUNBERYMRQ-INIZCTEOSA-N -1 3 395.415 3.919 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2(c3ccc(F)cc3)CC2)no1 ZINC000591665828 856194372 /nfs/dbraw/zinc/19/43/72/856194372.db2.gz LYOSQMPQCDAYMX-UHFFFAOYSA-N -1 3 378.407 3.663 20 30 GHEDHM COc1ccc([O-])c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000591971692 856439120 /nfs/dbraw/zinc/43/91/20/856439120.db2.gz KBHSXVRACBHHLA-UHFFFAOYSA-N -1 3 398.469 3.669 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C(C)(C)C)n2)cc1 ZINC000131823059 856997639 /nfs/dbraw/zinc/99/76/39/856997639.db2.gz BJGJVPBRHVWGMF-MRXNPFEDSA-N -1 3 382.464 3.731 20 30 GHEDHM CS(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)co1 ZINC000593035455 857189994 /nfs/dbraw/zinc/18/99/94/857189994.db2.gz MIFVWMKPHGIWBL-UHFFFAOYSA-N -1 3 378.475 3.528 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Cl)ccc1Cl ZINC000174368408 857273762 /nfs/dbraw/zinc/27/37/62/857273762.db2.gz SRBKEKOFTWKIOX-UHFFFAOYSA-N -1 3 379.243 3.846 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000011374196 858691140 /nfs/dbraw/zinc/69/11/40/858691140.db2.gz JMXZLZHZUDHZGR-UHFFFAOYSA-N -1 3 395.415 3.750 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc(Br)cc3c2OCC3)ccc1[O-] ZINC000764915018 859674024 /nfs/dbraw/zinc/67/40/24/859674024.db2.gz JGOQCGXCIRPKMZ-ARJAWSKDSA-N -1 3 375.218 3.994 20 30 GHEDHM COc1cccc(O)c1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058415 859911100 /nfs/dbraw/zinc/91/11/00/859911100.db2.gz MCZUWGGUEADVPF-UHFFFAOYSA-N -1 3 397.456 3.648 20 30 GHEDHM N#Cc1cccc(C2(NC(=O)CCCc3ccc([O-])c(F)c3)CCOCC2)c1 ZINC000598244764 860184377 /nfs/dbraw/zinc/18/43/77/860184377.db2.gz CMXDHHUWFVHLDG-UHFFFAOYSA-N -1 3 382.435 3.548 20 30 GHEDHM Cc1csc(-c2cccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2)n1 ZINC000124164921 860255620 /nfs/dbraw/zinc/25/56/20/860255620.db2.gz YQWIIIHYZDVYAF-INIZCTEOSA-N -1 3 377.473 3.927 20 30 GHEDHM N#CC(CCN1CCC[C@H](c2n[n-]c(=N)o2)C1)(c1ccccc1)c1ccccc1 ZINC000602892377 860347620 /nfs/dbraw/zinc/34/76/20/860347620.db2.gz OGWVNZAOXYLXFS-SFHVURJKSA-N -1 3 387.487 3.562 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccccc1Br ZINC000598889277 860663085 /nfs/dbraw/zinc/66/30/85/860663085.db2.gz XKXFHBXKRDRIIN-UHFFFAOYSA-N -1 3 388.265 3.634 20 30 GHEDHM N#Cc1cccc(C2(NC(=O)c3cc([O-])cc(C(F)(F)F)c3)CCOCC2)c1 ZINC000598908860 860667659 /nfs/dbraw/zinc/66/76/59/860667659.db2.gz MEDUIVOAXXSFTM-UHFFFAOYSA-N -1 3 390.361 3.718 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4c([nH]c3=O)CC(C)(C)CC4=O)nc21 ZINC000522830649 863497736 /nfs/dbraw/zinc/49/77/36/863497736.db2.gz LSJWMOVSHZFWIP-CQSZACIVSA-N -1 3 388.427 3.617 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3)n2)c1 ZINC000127079009 863532227 /nfs/dbraw/zinc/53/22/27/863532227.db2.gz PJJBPEZCBPEQBG-MRXNPFEDSA-N -1 3 377.425 3.780 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(F)cc3)n2)c1 ZINC000127082304 863546092 /nfs/dbraw/zinc/54/60/92/863546092.db2.gz LQBYHKPKKHEAPR-INIZCTEOSA-N -1 3 395.415 3.919 20 30 GHEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ncsc3-c3ccccc3)n2)cc1 ZINC000480241970 864305460 /nfs/dbraw/zinc/30/54/60/864305460.db2.gz AHGHCKVCVHOUQQ-UHFFFAOYSA-N -1 3 386.440 3.574 20 30 GHEDHM CCOc1cc(/C=C2\CCc3c(cnn3-c3ncccn3)C2=O)cc(Cl)c1[O-] ZINC000792905531 881791663 /nfs/dbraw/zinc/79/16/63/881791663.db2.gz KZLCCSHZWNUSJN-MDWZMJQESA-N -1 3 396.834 3.633 20 30 GHEDHM CN(CCOCc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000554745721 864844988 /nfs/dbraw/zinc/84/49/88/864844988.db2.gz KQCVIYVITLNXHE-UHFFFAOYSA-N -1 3 388.427 3.602 20 30 GHEDHM O=C1Nc2c(cc(Br)cc2Cl)C1=N[N-]c1ncccc1Cl ZINC000735613297 864880958 /nfs/dbraw/zinc/88/09/58/864880958.db2.gz YRMIUMYFPXVDRF-UHFFFAOYSA-N -1 3 386.036 3.919 20 30 GHEDHM Cc1ncc(CO)c(/C=N/C2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1[O-] ZINC000920174772 881883392 /nfs/dbraw/zinc/88/33/92/881883392.db2.gz PVFUZJIMFXAOMF-AFUMVMLFSA-N -1 3 381.520 3.973 20 30 GHEDHM C=CCOc1ccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1OC ZINC000622892415 865705361 /nfs/dbraw/zinc/70/53/61/865705361.db2.gz OXNATJUSGHZHJH-UHFFFAOYSA-N -1 3 383.835 3.978 20 30 GHEDHM COc1cc(/C=C/C(=O)c2ccnn2C2CCC2)cc(Br)c1[O-] ZINC000899396686 865940443 /nfs/dbraw/zinc/94/04/43/865940443.db2.gz GVOTZMDBDCZMOS-AATRIKPKSA-N -1 3 377.238 3.981 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000534191655 866285037 /nfs/dbraw/zinc/28/50/37/866285037.db2.gz IJLZBNNXWSVRPR-UHFFFAOYSA-N -1 3 391.422 3.637 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2c[nH]c3ncccc23)cc1 ZINC000741762216 866770015 /nfs/dbraw/zinc/77/00/15/866770015.db2.gz UELSFNKUHRWNBY-UHFFFAOYSA-N -1 3 391.456 3.810 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1cccc(C(F)(F)F)c1 ZINC000479152809 867249971 /nfs/dbraw/zinc/24/99/71/867249971.db2.gz HQBZIQHGUVJLIA-CQSZACIVSA-N -1 3 397.403 3.858 20 30 GHEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000479158893 867258592 /nfs/dbraw/zinc/25/85/92/867258592.db2.gz NCSCLBFGTFJLPS-IINYFYTJSA-N -1 3 391.718 3.853 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCOc2c(Cl)cc(Cl)cc21 ZINC000920383301 882077206 /nfs/dbraw/zinc/07/72/06/882077206.db2.gz IVPYECKISUSCBV-UHFFFAOYSA-N -1 3 385.272 3.600 20 30 GHEDHM N#Cc1ccc(Oc2cccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)c2)cc1 ZINC000445961024 869201610 /nfs/dbraw/zinc/20/16/10/869201610.db2.gz RWMOKKZEIXWFOP-OAHLLOKOSA-N -1 3 375.306 3.728 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000737721575 870653140 /nfs/dbraw/zinc/65/31/40/870653140.db2.gz LNPHQNYVMUMTEI-UHFFFAOYSA-N -1 3 397.394 3.888 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000737721575 870653153 /nfs/dbraw/zinc/65/31/53/870653153.db2.gz LNPHQNYVMUMTEI-UHFFFAOYSA-N -1 3 397.394 3.888 20 30 GHEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181291952 870680356 /nfs/dbraw/zinc/68/03/56/870680356.db2.gz JAYCUENSXQTMOX-ZETCQYMHSA-N -1 3 393.152 3.693 20 30 GHEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001194426332 871691004 /nfs/dbraw/zinc/69/10/04/871691004.db2.gz YAVDCAJVRWQMDM-UHFFFAOYSA-N -1 3 380.388 3.884 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[n-]1 ZINC000619448877 872638059 /nfs/dbraw/zinc/63/80/59/872638059.db2.gz JTIRHCKJZXRJPQ-UHFFFAOYSA-N -1 3 392.440 3.862 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c[n-]1 ZINC000619448877 872638068 /nfs/dbraw/zinc/63/80/68/872638068.db2.gz JTIRHCKJZXRJPQ-UHFFFAOYSA-N -1 3 392.440 3.862 20 30 GHEDHM CC(C)(C)C(=O)Nc1cccc(Cl)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001196960624 873498696 /nfs/dbraw/zinc/49/86/96/873498696.db2.gz RMOXOPKMNOKDQJ-UHFFFAOYSA-N -1 3 388.855 3.764 20 30 GHEDHM COc1cc(C=NNc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000769829066 874313015 /nfs/dbraw/zinc/31/30/15/874313015.db2.gz ZFXPWCCNHJBTTE-UHFFFAOYSA-N -1 3 384.161 3.657 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000776279420 876164251 /nfs/dbraw/zinc/16/42/51/876164251.db2.gz JRJZBWDMFNUZON-UHFFFAOYSA-N -1 3 388.379 3.852 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3Cl)n2)cc1 ZINC000776515164 877366152 /nfs/dbraw/zinc/36/61/52/877366152.db2.gz HPIIRMYKFPWXHZ-OAHLLOKOSA-N -1 3 395.802 3.965 20 30 GHEDHM C[C@@H](OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)NC1(C#N)CCC1 ZINC000787725035 877589704 /nfs/dbraw/zinc/58/97/04/877589704.db2.gz LJDYRXFOHINMCL-CYBMUJFWSA-N -1 3 398.846 3.820 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cscc1Br ZINC000851457746 877718931 /nfs/dbraw/zinc/71/89/31/877718931.db2.gz WLRRUARIHRJOOO-UHFFFAOYSA-N -1 3 395.278 3.776 20 30 GHEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cc(OC)cc(OC)c1 ZINC000851472213 877731038 /nfs/dbraw/zinc/73/10/38/877731038.db2.gz NULXKILVRFLJFJ-FQEVSTJZSA-N -1 3 398.459 3.920 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1[O-] ZINC000788674512 878235581 /nfs/dbraw/zinc/23/55/81/878235581.db2.gz KPDKDKBHMNBSJJ-UCBNSMMZSA-N -1 3 380.275 3.593 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(-c3ccc(C(C)=O)cc3F)nc(=O)c2c1C ZINC000776725808 879719214 /nfs/dbraw/zinc/71/92/14/879719214.db2.gz GFXVOCQYINIINU-UHFFFAOYSA-N -1 3 386.404 3.645 20 30 GHEDHM N#Cc1cccc(NC(=O)C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)c1 ZINC000792164484 880956826 /nfs/dbraw/zinc/95/68/26/880956826.db2.gz IXCYODCCELTSBU-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc([O-])c(C#N)c2)CCc2ccccc21 ZINC001183641577 912686539 /nfs/dbraw/zinc/68/65/39/912686539.db2.gz SKBZUMXWJAGHFH-JOCHJYFZSA-N -1 3 393.443 3.569 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000175108083 883302242 /nfs/dbraw/zinc/30/22/42/883302242.db2.gz GYJUOLXKVHBJBU-OAHLLOKOSA-N -1 3 394.381 3.674 20 30 GHEDHM CC(C)(C)OC(=O)C1(C([O-])=C(C#N)c2cnc3ccccc3n2)CCSCC1 ZINC000860701997 884928879 /nfs/dbraw/zinc/92/88/79/884928879.db2.gz LEGMCOKBJRMEHQ-CQSZACIVSA-N -1 3 397.500 3.661 20 30 GHEDHM C[C@@H]1C[C@H](C)CN(c2ccc(C([O-])=C(C#N)c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000249523437 912878240 /nfs/dbraw/zinc/87/82/40/912878240.db2.gz PZZGBACKIKLIFA-HLLBOEOZSA-N -1 3 378.432 3.962 20 30 GHEDHM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914892196 885119124 /nfs/dbraw/zinc/11/91/24/885119124.db2.gz UHQCJCQFTIZVHA-CYBMUJFWSA-N -1 3 397.456 3.730 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3sccc3C#N)cc2)cc1 ZINC000052033628 885134327 /nfs/dbraw/zinc/13/43/27/885134327.db2.gz YMVPHIBDNSWWAF-UHFFFAOYSA-N -1 3 397.481 3.981 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000609304189 886739415 /nfs/dbraw/zinc/73/94/15/886739415.db2.gz MCRZOQXLFGCPIW-ZDUSSCGKSA-N -1 3 386.521 3.840 20 30 GHEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc([C@@H](C)C2CC2)no1 ZINC000809441882 887439570 /nfs/dbraw/zinc/43/95/70/887439570.db2.gz LROXOLNIDXFAOR-WFASDCNBSA-N -1 3 388.493 3.553 20 30 GHEDHM N#CCCn1cc(CNCc2cccc(CCC(=O)[O-])c2)c(-c2ccccc2)n1 ZINC000864517244 887820317 /nfs/dbraw/zinc/82/03/17/887820317.db2.gz BAQNIIKLKOCFIF-UHFFFAOYSA-N -1 3 388.471 3.771 20 30 GHEDHM COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccn3)c2Cl)c(OC)cc1[O-] ZINC000794699174 887891676 /nfs/dbraw/zinc/89/16/76/887891676.db2.gz APFMCOCJMLGBEG-BQYQJAHWSA-N -1 3 399.834 3.848 20 30 GHEDHM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000194205952 888111480 /nfs/dbraw/zinc/11/14/80/888111480.db2.gz DABCJLISVMBXTD-UHFFFAOYSA-N -1 3 376.387 3.951 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(N3CCCCC3)c3ncccc23)c1[O-] ZINC000794834833 888302419 /nfs/dbraw/zinc/30/24/19/888302419.db2.gz VDUMPBCGKNJVHP-UHFFFAOYSA-N -1 3 376.460 3.877 20 30 GHEDHM COc1ccc(NC(=S)NN=C(C)c2cc(Br)ccc2[O-])cc1 ZINC000915925603 888560025 /nfs/dbraw/zinc/56/00/25/888560025.db2.gz QJHPJGQRJSKQIB-UHFFFAOYSA-N -1 3 394.294 3.874 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1cccc(C#N)n1 ZINC000810529783 888602541 /nfs/dbraw/zinc/60/25/41/888602541.db2.gz NXTZGEMJKLDWOQ-KRWDZBQOSA-N -1 3 382.379 3.707 20 30 GHEDHM Cc1cc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)c(C)n1Cc1cccs1 ZINC000811188094 889272962 /nfs/dbraw/zinc/27/29/62/889272962.db2.gz VDKAIPQLGAUMFM-UHFFFAOYSA-N -1 3 394.452 3.832 20 30 GHEDHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000811395119 889535991 /nfs/dbraw/zinc/53/59/91/889535991.db2.gz VTTJNMGNRQBTPB-JTQLQIEISA-N -1 3 379.869 3.771 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000497075654 890113694 /nfs/dbraw/zinc/11/36/94/890113694.db2.gz BFKVVPOEQMARDJ-INIZCTEOSA-N -1 3 383.879 3.878 20 30 GHEDHM N#CC(=C([O-])C=Cc1ccsc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000870162567 890237003 /nfs/dbraw/zinc/23/70/03/890237003.db2.gz JPTCCFSJIMQQAH-FYJFLYSWSA-N -1 3 380.395 3.974 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(CO)c1 ZINC000814829805 893211921 /nfs/dbraw/zinc/21/19/21/893211921.db2.gz LDFANGKNQMVBAX-UHFFFAOYSA-N -1 3 395.484 3.816 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=C2COc3cc(F)ccc32)cc1 ZINC000814830072 893223352 /nfs/dbraw/zinc/22/33/52/893223352.db2.gz VVIQSFLGNAFLPB-UHFFFAOYSA-N -1 3 397.431 3.835 20 30 GHEDHM CC[C@H](C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000778298018 894147070 /nfs/dbraw/zinc/14/70/70/894147070.db2.gz OECOCTPABKJBAZ-GXFFZTMASA-N -1 3 376.819 3.916 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001135973005 895831492 /nfs/dbraw/zinc/83/14/92/895831492.db2.gz MZKJMUHYLKZYOI-UHFFFAOYSA-N -1 3 378.881 3.540 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC(F)F ZINC000826178740 895844111 /nfs/dbraw/zinc/84/41/11/895844111.db2.gz KFWCTQYBFYMJDO-QHHAFSJGSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC(F)F ZINC000826178740 895844124 /nfs/dbraw/zinc/84/41/24/895844124.db2.gz KFWCTQYBFYMJDO-QHHAFSJGSA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000041513249 896354122 /nfs/dbraw/zinc/35/41/22/896354122.db2.gz GHNUEPHNLDIXNI-HNNXBMFYSA-N -1 3 389.436 3.940 20 30 GHEDHM C[C@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000820220249 897246938 /nfs/dbraw/zinc/24/69/38/897246938.db2.gz PQQBRYVYFXVOJU-GFCCVEGCSA-N -1 3 385.269 3.508 20 30 GHEDHM C[C@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000820220249 897246952 /nfs/dbraw/zinc/24/69/52/897246952.db2.gz PQQBRYVYFXVOJU-GFCCVEGCSA-N -1 3 385.269 3.508 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)(C)C#N ZINC000131380867 897426969 /nfs/dbraw/zinc/42/69/69/897426969.db2.gz RGQLMYBQIBOJRO-CYBMUJFWSA-N -1 3 390.436 3.722 20 30 GHEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822802269 898634201 /nfs/dbraw/zinc/63/42/01/898634201.db2.gz YGEOUXWZJFZMOF-QGZVFWFLSA-N -1 3 386.440 3.836 20 30 GHEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822802269 898634207 /nfs/dbraw/zinc/63/42/07/898634207.db2.gz YGEOUXWZJFZMOF-QGZVFWFLSA-N -1 3 386.440 3.836 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000826385602 899158822 /nfs/dbraw/zinc/15/88/22/899158822.db2.gz STTWZNBEARXARW-UHFFFAOYSA-N -1 3 382.427 3.853 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000826385602 899158830 /nfs/dbraw/zinc/15/88/30/899158830.db2.gz STTWZNBEARXARW-UHFFFAOYSA-N -1 3 382.427 3.853 20 30 GHEDHM C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824513732 899651595 /nfs/dbraw/zinc/65/15/95/899651595.db2.gz GYZGPBLKMIEIKB-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513732 899651601 /nfs/dbraw/zinc/65/16/01/899651601.db2.gz GYZGPBLKMIEIKB-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM N#CCCCn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000573551088 900553170 /nfs/dbraw/zinc/55/31/70/900553170.db2.gz RGHIGOKNXRFDQC-KRWDZBQOSA-N -1 3 386.459 3.753 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2ccc(Cl)cc2n1 ZINC000137222357 900825882 /nfs/dbraw/zinc/82/58/82/900825882.db2.gz XQORQTXDQNJYCD-FDMDGMSGSA-N -1 3 376.803 3.644 20 30 GHEDHM CC(C)(C)OC(=O)[C@@]1(C([O-])=C(C#N)c2cnc3ccccc3n2)CC=CCC1 ZINC000845530275 902232902 /nfs/dbraw/zinc/23/29/02/902232902.db2.gz FMALPFVSEOUUSH-NYHFZMIOSA-N -1 3 377.444 3.874 20 30 GHEDHM N#CC(C(=O)Cc1ccc2c(c1)OC(F)(F)O2)=C([O-])C1(c2ccccc2)CC1 ZINC000845842805 902409693 /nfs/dbraw/zinc/40/96/93/902409693.db2.gz IVCCDHDQNLHZOJ-HNNXBMFYSA-N -1 3 383.350 3.560 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccc2c(c1)OC(F)(F)O2 ZINC000845842805 902409700 /nfs/dbraw/zinc/40/97/00/902409700.db2.gz IVCCDHDQNLHZOJ-HNNXBMFYSA-N -1 3 383.350 3.560 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1[O-] ZINC001186678288 914747847 /nfs/dbraw/zinc/74/78/47/914747847.db2.gz ZNNZSSYUOOMPSM-UHFFFAOYSA-N -1 3 397.475 3.839 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000159777458 904082766 /nfs/dbraw/zinc/08/27/66/904082766.db2.gz WPFKLOLGMZVULM-KRWDZBQOSA-N -1 3 386.411 3.503 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC001171515850 904790642 /nfs/dbraw/zinc/79/06/42/904790642.db2.gz BOZFAFTURTXOCS-MRXNPFEDSA-N -1 3 382.769 3.682 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(F)c1 ZINC000189473488 905086257 /nfs/dbraw/zinc/08/62/57/905086257.db2.gz VLMIUFXNVFQPOV-UHFFFAOYSA-N -1 3 377.199 3.622 20 30 GHEDHM N#CC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCCCC1 ZINC000176629082 905900406 /nfs/dbraw/zinc/90/04/06/905900406.db2.gz FASFXUZLHKURNG-UHFFFAOYSA-N -1 3 389.883 3.697 20 30 GHEDHM N#CC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCOCC1 ZINC000179936320 906637519 /nfs/dbraw/zinc/63/75/19/906637519.db2.gz OUKOWVVUOPGKND-UHFFFAOYSA-N -1 3 379.441 3.928 20 30 GHEDHM Cc1ccc2c(c1)SCCCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000187191327 908053880 /nfs/dbraw/zinc/05/38/80/908053880.db2.gz FYPDDUYVRKPWJV-UHFFFAOYSA-N -1 3 381.501 3.633 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)/C=C/c2cc(F)cc(F)c2)c(C)c1[O-] ZINC001179567808 909581572 /nfs/dbraw/zinc/58/15/72/909581572.db2.gz ZCHNAMXGZPHNJH-SNAWJCMRSA-N -1 3 386.354 3.679 20 30 GHEDHM CCC(C)(C)NC([S-])=C(C([O-])=C1C=CC(=NC(C)=O)C=C1)[n+]1ccccc1 ZINC000773942969 910961126 /nfs/dbraw/zinc/96/11/26/910961126.db2.gz ZHRYAYOGOIROJS-UHFFFAOYSA-O -1 3 384.525 3.734 20 30 GHEDHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1C#N ZINC000283776192 911642613 /nfs/dbraw/zinc/64/26/13/911642613.db2.gz CRMXVUBSNJKRDV-MRXNPFEDSA-N -1 3 378.350 3.891 20 30 GHEDHM CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001189478870 916644929 /nfs/dbraw/zinc/64/49/29/916644929.db2.gz QAAKUIOEEFARHT-UHFFFAOYSA-N -1 3 393.340 3.849 20 30 GHEDHM O=C(c1cccc(OC(F)(F)F)c1[O-])N1CC[C@](CF)(C(F)(F)F)C1 ZINC001189755180 916880781 /nfs/dbraw/zinc/88/07/81/916880781.db2.gz KZPDWJPLXDYJAR-GFCCVEGCSA-N -1 3 375.240 3.655 20 30 GHEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189782810 916916565 /nfs/dbraw/zinc/91/65/65/916916565.db2.gz YWDZNDKAEGWFCL-UHFFFAOYSA-N -1 3 380.492 3.531 20 30 GHEDHM N#Cc1cc(Br)cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189823052 916945203 /nfs/dbraw/zinc/94/52/03/916945203.db2.gz BXARVXFZZIAXJJ-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(C(C)(C)C#N)c2)c(C)c1[O-] ZINC001190938386 917650127 /nfs/dbraw/zinc/65/01/27/917650127.db2.gz LTJJDXYPHAMHBG-UHFFFAOYSA-N -1 3 391.427 3.802 20 30 GHEDHM O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N([O-])Cc1ccc(F)cc1 ZINC000901376119 921054495 /nfs/dbraw/zinc/05/44/95/921054495.db2.gz ONAWRIHUFFLPCV-HNNXBMFYSA-N -1 3 380.828 3.700 20 30 GHEDHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901379110 921056464 /nfs/dbraw/zinc/05/64/64/921056464.db2.gz VWXOLGFLPSTGGD-OCCSQVGLSA-N -1 3 387.307 3.996 20 30 GHEDHM CC(=O)N[C@H](CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000901379594 921057123 /nfs/dbraw/zinc/05/71/23/921057123.db2.gz JSHFSIHQLBVZHJ-QGZVFWFLSA-N -1 3 381.259 3.979 20 30 GHEDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901379108 921057211 /nfs/dbraw/zinc/05/72/11/921057211.db2.gz VWXOLGFLPSTGGD-GXTWGEPZSA-N -1 3 387.307 3.996 20 30 GHEDHM C#CCN(Cc1cc(C)cc(Br)c1OCC(=O)[O-])C1CCCCC1 ZINC000902518295 922251631 /nfs/dbraw/zinc/25/16/31/922251631.db2.gz FZPHQWGZRHXOAE-UHFFFAOYSA-N -1 3 394.309 3.989 20 30 GHEDHM N#CC(=C([O-])c1ccc(Cl)c(N2CCCC2=O)c1)c1cnc2ccccc2n1 ZINC000682995722 926321956 /nfs/dbraw/zinc/32/19/56/926321956.db2.gz ZXGCPZJAMKQIAP-AWEZNQCLSA-N -1 3 390.830 3.900 20 30 GHEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276165356 926419543 /nfs/dbraw/zinc/41/95/43/926419543.db2.gz WESTZIIGPKFXEJ-LJQANCHMSA-N -1 3 396.318 3.960 20 30 GHEDHM CC[C@@H](C)NC([S-])=C(C([O-])=C1C=CC(=NC(=O)C(C)C)C=C1)[n+]1ccccc1 ZINC000749892595 927334140 /nfs/dbraw/zinc/33/41/40/927334140.db2.gz XSMZOSLJTJDHRW-MRXNPFEDSA-O -1 3 398.552 3.980 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cccc(Cl)n1 ZINC000780306501 927835187 /nfs/dbraw/zinc/83/51/87/927835187.db2.gz YCRSEPFTPGNPJL-JTQLQIEISA-N -1 3 378.215 3.667 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nccn12 ZINC000780309671 927865590 /nfs/dbraw/zinc/86/55/90/927865590.db2.gz ODPMISJMVAWKER-GFCCVEGCSA-N -1 3 393.255 3.972 20 30 GHEDHM COc1ccc2oc([C@@H](C)[N-]S(=O)(=O)c3cccc(F)c3C#N)c(C)c2c1 ZINC000751076844 928016310 /nfs/dbraw/zinc/01/63/10/928016310.db2.gz XXFNPPZOXKJJKV-GFCCVEGCSA-N -1 3 388.420 3.800 20 30 GHEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccccc1F ZINC000412976785 928060863 /nfs/dbraw/zinc/06/08/63/928060863.db2.gz JFMXPJXJTAUZNC-UHFFFAOYSA-N -1 3 383.452 3.936 20 30 GHEDHM Cc1ncc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(=O)[n-]1 ZINC000544273525 929007246 /nfs/dbraw/zinc/00/72/46/929007246.db2.gz MKTYADUEFXSMOM-UHFFFAOYSA-N -1 3 393.378 3.615 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1cccc(F)c1 ZINC000759236333 930316830 /nfs/dbraw/zinc/31/68/30/930316830.db2.gz QFBSSZTVQWIGIP-FDMDGMSGSA-N -1 3 382.391 3.552 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(-c3ccccc3Cl)on2)cc1 ZINC001122707159 934956787 /nfs/dbraw/zinc/95/67/87/934956787.db2.gz HVGWVPIMMYSNCC-OAHLLOKOSA-N -1 3 395.802 3.965 20 30 GHEDHM C=CC(C)(C)CCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001573305799 947161359 /nfs/dbraw/zinc/16/13/59/947161359.db2.gz GEWCUPKXWWWNEU-UHFFFAOYSA-N -1 3 391.475 3.778 20 30 GHEDHM C=CC(C)(C)CCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001573305799 947161364 /nfs/dbraw/zinc/16/13/64/947161364.db2.gz GEWCUPKXWWWNEU-UHFFFAOYSA-N -1 3 391.475 3.778 20 30 GHEDHM C=CCCC(C)(C)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001573327671 947392260 /nfs/dbraw/zinc/39/22/60/947392260.db2.gz JAWDUIHRNGANMT-UHFFFAOYSA-N -1 3 395.463 3.761 20 30 GHEDHM C=CCCC(C)(C)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001573327671 947392278 /nfs/dbraw/zinc/39/22/78/947392278.db2.gz JAWDUIHRNGANMT-UHFFFAOYSA-N -1 3 395.463 3.761 20 30 GHEDHM C=CCOc1ccc(OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1 ZINC001573347683 947577282 /nfs/dbraw/zinc/57/72/82/947577282.db2.gz GLFWIRQTPPXAHH-UHFFFAOYSA-N -1 3 390.443 3.849 20 30 GHEDHM C=CCOc1ccc(OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC001573347683 947577291 /nfs/dbraw/zinc/57/72/91/947577291.db2.gz GLFWIRQTPPXAHH-UHFFFAOYSA-N -1 3 390.443 3.849 20 30 GHEDHM C=CCOc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573349097 947591996 /nfs/dbraw/zinc/59/19/96/947591996.db2.gz YWUGDAKFLNFXNB-UHFFFAOYSA-N -1 3 394.431 3.586 20 30 GHEDHM C=CCOc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573349097 947592001 /nfs/dbraw/zinc/59/20/01/947592001.db2.gz YWUGDAKFLNFXNB-UHFFFAOYSA-N -1 3 394.431 3.586 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001595009132 982932615 /nfs/dbraw/zinc/93/26/15/982932615.db2.gz FKRQCSSGESCBSI-YVEFUNNKSA-N -1 3 382.391 3.999 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)CCCc3ccc([O-])c(F)c3)C2)c(F)c1 ZINC000468963274 1016278993 /nfs/dbraw/zinc/27/89/93/1016278993.db2.gz NBIQUNWRCUTZMF-KRWDZBQOSA-N -1 3 399.441 3.650 20 30 GHEDHM C=CCCC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OC ZINC001155474112 1032555938 /nfs/dbraw/zinc/55/59/38/1032555938.db2.gz BYRUNJISKBALBL-CYBMUJFWSA-N -1 3 390.224 3.555 20 30 GHEDHM COC(OC)c1cc(C)cnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155913987 1032791206 /nfs/dbraw/zinc/79/12/06/1032791206.db2.gz FIGVGHQQJGIDEU-UHFFFAOYSA-N -1 3 385.342 3.828 20 30 GHEDHM [O-]N=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(OC(F)(F)F)cc1 ZINC001155913894 1032791571 /nfs/dbraw/zinc/79/15/71/1032791571.db2.gz BCXOQEUXWDBHJO-UHFFFAOYSA-N -1 3 381.358 3.613 20 30 GHEDHM COc1cc(/C=C2/COc3c(F)cccc3C2=O)cc(Br)c1[O-] ZINC000194859317 1020967680 /nfs/dbraw/zinc/96/76/80/1020967680.db2.gz KFKHOIDEKVHBOE-YHYXMXQVSA-N -1 3 379.181 3.961 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1cccc2ncccc12 ZINC000835656344 1022288884 /nfs/dbraw/zinc/28/88/84/1022288884.db2.gz DPFROAZVRDQBQO-UHFFFAOYSA-N -1 3 375.428 3.542 20 30 GHEDHM CC(C)c1ccc(OCC2N=NC(=S)N2N=Cc2cc(F)ccc2[O-])cc1 ZINC000755610908 1023312202 /nfs/dbraw/zinc/31/22/02/1023312202.db2.gz ZJXSGXNQYKUFJU-UHFFFAOYSA-N -1 3 386.452 3.996 20 30 GHEDHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C#CC3CC3)ccc2C)cc1 ZINC000837309192 1024336882 /nfs/dbraw/zinc/33/68/82/1024336882.db2.gz DGSPDLCEHIGMAV-UHFFFAOYSA-N -1 3 398.484 3.546 20 30 GHEDHM O=[N+]([O-])c1c2[nH]cnc2ccc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163769062 1026310370 /nfs/dbraw/zinc/31/03/70/1026310370.db2.gz NDKRRVPAFMRLOH-UHFFFAOYSA-N -1 3 381.270 3.618 20 30 GHEDHM COCC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(C(F)(F)F)c1 ZINC000840708876 1027749775 /nfs/dbraw/zinc/74/97/75/1027749775.db2.gz JLJNEUSIPDSHEH-CIMGSBJISA-N -1 3 382.382 3.803 20 30 GHEDHM N#Cc1cnccc1[N-]c1nc2c(Br)ccc(C(F)(F)F)n2n1 ZINC001214011138 1028504784 /nfs/dbraw/zinc/50/47/84/1028504784.db2.gz DACFGOLIJRJWKC-UHFFFAOYSA-N -1 3 383.131 3.521 20 30 GHEDHM Cc1ccc(C)c(Sc2ccc(NC(=O)N[C@H]3CCCN([O-])C3=O)cc2)c1 ZINC001214434609 1028734438 /nfs/dbraw/zinc/73/44/38/1028734438.db2.gz MJJBCONUDZVGDA-KRWDZBQOSA-N -1 3 385.489 3.956 20 30 GHEDHM CC(C)c1cccc2c1NC(=O)C2=N[N-]c1c(F)cc(C(=O)NC2CC2)cc1F ZINC000841629641 1028791725 /nfs/dbraw/zinc/79/17/25/1028791725.db2.gz ZYDOIMLUZLLKGD-UHFFFAOYSA-N -1 3 398.413 3.749 20 30 GHEDHM COc1cc([O-])cc(O[C@@H]2CCNCC2(F)F)c1C(=O)/C=C/c1ccccc1 ZINC001218011599 1030721716 /nfs/dbraw/zinc/72/17/16/1030721716.db2.gz WWVBHGVWHWIBJB-IHHMQQGQSA-N -1 3 389.398 3.673 20 30 GHEDHM N#C[C@H](Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)CC2)c1ccccc1F ZINC001226613068 1032042515 /nfs/dbraw/zinc/04/25/15/1032042515.db2.gz CHGLVYYNSPJNLM-FQEVSTJZSA-N -1 3 390.418 3.523 20 30 GHEDHM COc1cc([O-])cc(O[C@H]2CCc3nccn3C2)c1C(=O)/C=C/c1ccccc1 ZINC001229529704 1033541916 /nfs/dbraw/zinc/54/19/16/1033541916.db2.gz ZSOUBCXXRLXBOF-KOEDOTQGSA-N -1 3 390.439 3.887 20 30 GHEDHM CCNC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c(C)s1 ZINC001461897164 1069855713 /nfs/dbraw/zinc/85/57/13/1069855713.db2.gz GRZNYUWMHUFCSQ-UHFFFAOYSA-N -1 3 380.429 3.585 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC001160176339 1034890164 /nfs/dbraw/zinc/89/01/64/1034890164.db2.gz MXJSOYRSPRUYMD-YWZLYKJASA-N -1 3 399.454 3.736 20 30 GHEDHM COCCOc1cccc(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC001161782932 1035300911 /nfs/dbraw/zinc/30/09/11/1035300911.db2.gz CUBIWOHYQKADJN-UHFFFAOYSA-N -1 3 384.259 3.979 20 30 GHEDHM CCCCN([O-])C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001161831519 1035311281 /nfs/dbraw/zinc/31/12/81/1035311281.db2.gz CEFXCROOPGVPQH-QGZVFWFLSA-N -1 3 375.469 3.622 20 30 GHEDHM N#Cc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1OC1CCOCC1 ZINC001245303621 1036863771 /nfs/dbraw/zinc/86/37/71/1036863771.db2.gz GIFNJDSTDQCHMZ-UHFFFAOYSA-N -1 3 381.379 3.881 20 30 GHEDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1[n-]c(=O)nc3cccc(C#N)c31)C2 ZINC001234511042 1040090564 /nfs/dbraw/zinc/09/05/64/1040090564.db2.gz IKTXTGFTNAEKGV-QDMKHBRRSA-N -1 3 396.447 3.516 20 30 GHEDHM C[C@@](C#N)([N-]S(=O)(=O)c1cccc(OC(F)F)c1)c1ccccc1Cl ZINC001259449277 1045165683 /nfs/dbraw/zinc/16/56/83/1045165683.db2.gz FPFNHYQDNWRTKU-INIZCTEOSA-N -1 3 386.807 3.659 20 30 GHEDHM O=S(=O)([N-]Cc1ccc(F)c(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC001259502059 1045206251 /nfs/dbraw/zinc/20/62/51/1045206251.db2.gz DYNFZIJTFZLVPN-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1F ZINC001261019255 1045843136 /nfs/dbraw/zinc/84/31/36/1045843136.db2.gz PDLLPXHIRRUUJG-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001262987637 1046470894 /nfs/dbraw/zinc/47/08/94/1046470894.db2.gz CNSJPNGUCIVLDG-SFHVURJKSA-N -1 3 376.464 3.585 20 30 GHEDHM C=CCC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001336759393 1052325098 /nfs/dbraw/zinc/32/50/98/1052325098.db2.gz NBIZIORZYXRKJA-AWEZNQCLSA-N -1 3 391.468 3.525 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001343761630 1054004342 /nfs/dbraw/zinc/00/43/42/1054004342.db2.gz QJZUOOLMBAQUHM-ZDUSSCGKSA-N -1 3 391.431 3.805 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=NCC(F)(F)F)n1N=Cc1ccco1 ZINC001318174329 1054473523 /nfs/dbraw/zinc/47/35/23/1054473523.db2.gz XOPWARMFVZQHNZ-UHFFFAOYSA-N -1 3 383.351 3.566 20 30 GHEDHM COCc1ccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)cc1 ZINC001322057766 1056496175 /nfs/dbraw/zinc/49/61/75/1056496175.db2.gz DAPDCDYPOKLEPN-UHFFFAOYSA-N -1 3 395.484 3.720 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC[C@@H](COC)C1 ZINC001338634969 1058700201 /nfs/dbraw/zinc/70/02/01/1058700201.db2.gz DCZMAENMXVRSQS-CQSZACIVSA-N -1 3 399.520 3.699 20 30 GHEDHM O=C([N-][C@H](CO)CC(F)(F)F)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001446746542 1059847097 /nfs/dbraw/zinc/84/70/97/1059847097.db2.gz JSHGMQNPQMGKGR-UMWYPWBCSA-N -1 3 377.231 3.584 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(-c4ccc(Cl)cc4)nn3C)nc1-2 ZINC001347106630 1062121754 /nfs/dbraw/zinc/12/17/54/1062121754.db2.gz IGKBHNDVQSDLCN-AWEZNQCLSA-N -1 3 390.834 3.810 20 30 GHEDHM Cc1nsc([N-]C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c1C#N ZINC001436019107 1063096804 /nfs/dbraw/zinc/09/68/04/1063096804.db2.gz DWWXUCQNGKXCIT-UHFFFAOYSA-N -1 3 393.259 3.771 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001458008320 1063504129 /nfs/dbraw/zinc/50/41/29/1063504129.db2.gz MZOWFUFLYBGVDA-OAHLLOKOSA-N -1 3 398.450 3.938 20 30 GHEDHM Cc1ccc(C(=O)CCC(=O)CCC(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC001458015056 1063507204 /nfs/dbraw/zinc/50/72/04/1063507204.db2.gz BWIVRUUESMJXLJ-UHFFFAOYSA-N -1 3 377.437 3.926 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001352063884 1064802917 /nfs/dbraw/zinc/80/29/17/1064802917.db2.gz WNMBHIZNUCWDQO-IFXJQAMLSA-N -1 3 376.464 3.523 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2)c(Cl)c1 ZINC001464142247 1064854474 /nfs/dbraw/zinc/85/44/74/1064854474.db2.gz OSJKJNNEKYVHAP-UHFFFAOYSA-N -1 3 388.798 3.615 20 30 GHEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001464437492 1065009196 /nfs/dbraw/zinc/00/91/96/1065009196.db2.gz ZEXCPTMOZAKJJL-UHFFFAOYSA-N -1 3 391.287 3.628 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)NCc2ccc(C)cc2)c(C)c1[O-] ZINC001200317816 1065907237 /nfs/dbraw/zinc/90/72/37/1065907237.db2.gz OZJZJXILTQNUFK-UHFFFAOYSA-N -1 3 383.473 3.544 20 30 GHEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2coc(C#N)c2)cc1 ZINC001358187672 1067433175 /nfs/dbraw/zinc/43/31/75/1067433175.db2.gz SKBZCKJLIJFVPR-UHFFFAOYSA-N -1 3 395.440 3.821 20 30 GHEDHM COc1ccc(N2CC[C@H](/N=C\c3cc(Br)ccc3[O-])C2)cc1 ZINC000849170156 1067751542 /nfs/dbraw/zinc/75/15/42/1067751542.db2.gz LQRWXZCCUPGGKF-PFHZTYADSA-N -1 3 375.266 3.861 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001471975638 1073288277 /nfs/dbraw/zinc/28/82/77/1073288277.db2.gz AXSMCDDNGOSXHK-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM CCCCN([O-])C(=O)[C@@H]1CCC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 ZINC001472620516 1073580402 /nfs/dbraw/zinc/58/04/02/1073580402.db2.gz FWLLZTAYJGCAAV-UYAOXDASSA-N -1 3 376.497 3.793 20 30 GHEDHM CC(C)(C)OC(=O)NCc1ccc(C(=O)N([O-])Cc2ccccc2Cl)o1 ZINC001472620239 1073581092 /nfs/dbraw/zinc/58/10/92/1073581092.db2.gz UNFGQJNGLNBDMW-UHFFFAOYSA-N -1 3 380.828 3.989 20 30 GHEDHM CCCCN([O-])C(=O)[C@H]1CCC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 ZINC001472620514 1073581198 /nfs/dbraw/zinc/58/11/98/1073581198.db2.gz FWLLZTAYJGCAAV-ICSRJNTNSA-N -1 3 376.497 3.793 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1nc(C(F)(F)F)cs1 ZINC001475240662 1074800726 /nfs/dbraw/zinc/80/07/26/1074800726.db2.gz BONZXOZTPAGCDJ-SSDOTTSWSA-N -1 3 395.815 3.726 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOCC1 ZINC001475474404 1074887926 /nfs/dbraw/zinc/88/79/26/1074887926.db2.gz VJQGXGNEGSYZNM-UHFFFAOYSA-N -1 3 398.937 3.867 20 30 GHEDHM CCCCCCCS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001475793915 1075022997 /nfs/dbraw/zinc/02/29/97/1075022997.db2.gz RGEGXFRXVXOJTK-OXJNMPFZSA-N -1 3 381.538 3.842 20 30 GHEDHM COc1cccc(C=NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1O ZINC000737130894 598824855 /nfs/dbraw/zinc/82/48/55/598824855.db2.gz UBRGOQQUTUOAFZ-MTJSOVHGSA-N -1 3 391.456 3.929 20 30 GHEDHM N#Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737717019 598920739 /nfs/dbraw/zinc/92/07/39/598920739.db2.gz YCUSNILQABMXDS-UHFFFAOYSA-N -1 3 394.438 3.899 20 30 GHEDHM N#Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737717019 598920741 /nfs/dbraw/zinc/92/07/41/598920741.db2.gz YCUSNILQABMXDS-UHFFFAOYSA-N -1 3 394.438 3.899 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1-c1nnn[n-]1 ZINC000737720145 598927558 /nfs/dbraw/zinc/92/75/58/598927558.db2.gz YYQBWXDNVUICJL-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1-c1nn[n-]n1 ZINC000737720145 598927560 /nfs/dbraw/zinc/92/75/60/598927560.db2.gz YYQBWXDNVUICJL-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OCC ZINC000821416651 599112501 /nfs/dbraw/zinc/11/25/01/599112501.db2.gz BQQUMLQCGJLSEQ-WJDWOHSUSA-N -1 3 390.443 3.877 20 30 GHEDHM CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OCC ZINC000821416651 599112503 /nfs/dbraw/zinc/11/25/03/599112503.db2.gz BQQUMLQCGJLSEQ-WJDWOHSUSA-N -1 3 390.443 3.877 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Br)cc1F ZINC000823504065 599112584 /nfs/dbraw/zinc/11/25/84/599112584.db2.gz LLWBDRKGBYYAHT-XYOKQWHBSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Br)cc1F ZINC000823504065 599112587 /nfs/dbraw/zinc/11/25/87/599112587.db2.gz LLWBDRKGBYYAHT-XYOKQWHBSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1C(=Cc2ccc(Br)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504460 599115417 /nfs/dbraw/zinc/11/54/17/599115417.db2.gz QJTGUIQPCDZBNG-CSKARUKUSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2ccc(Br)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504460 599115419 /nfs/dbraw/zinc/11/54/19/599115419.db2.gz QJTGUIQPCDZBNG-CSKARUKUSA-N -1 3 387.262 3.903 20 30 GHEDHM CC(N=Nc1c(F)cc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450758 599129719 /nfs/dbraw/zinc/12/97/19/599129719.db2.gz CXXYIRIGNRKDIG-UHFFFAOYSA-N -1 3 393.195 3.744 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000819743280 599145087 /nfs/dbraw/zinc/14/50/87/599145087.db2.gz GIQYIPSMDQVQKM-INIZCTEOSA-N -1 3 393.466 3.789 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000819743280 599145089 /nfs/dbraw/zinc/14/50/89/599145089.db2.gz GIQYIPSMDQVQKM-INIZCTEOSA-N -1 3 393.466 3.789 20 30 GHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)oc21 ZINC000737082006 599153107 /nfs/dbraw/zinc/15/31/07/599153107.db2.gz SVKZRXXNWCWEAK-VURMDHGXSA-N -1 3 376.372 3.526 20 30 GHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)oc21 ZINC000737082006 599153111 /nfs/dbraw/zinc/15/31/11/599153111.db2.gz SVKZRXXNWCWEAK-VURMDHGXSA-N -1 3 376.372 3.526 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737264916 599157874 /nfs/dbraw/zinc/15/78/74/599157874.db2.gz VXFUNVMWOWYPKL-UXBLZVDNSA-N -1 3 388.406 3.704 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737716528 599195089 /nfs/dbraw/zinc/19/50/89/599195089.db2.gz RKSQJAHVFYSGNB-AZUAARDMSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737716528 599195091 /nfs/dbraw/zinc/19/50/91/599195091.db2.gz RKSQJAHVFYSGNB-AZUAARDMSA-N -1 3 380.411 3.634 20 30 GHEDHM C[C@]12CC3CC(C(=O)Nc4ccc(C#N)c(-c5nnn[n-]5)c4)(C1)C[C@@](C)(C3)C2 ZINC000736227820 599199045 /nfs/dbraw/zinc/19/90/45/599199045.db2.gz GHZWVQYKCMRXIL-SWOGZVPRSA-N -1 3 376.464 3.673 20 30 GHEDHM C[C@]12CC3CC(C(=O)Nc4ccc(C#N)c(-c5nn[n-]n5)c4)(C1)C[C@@](C)(C3)C2 ZINC000736227820 599199046 /nfs/dbraw/zinc/19/90/46/599199046.db2.gz GHZWVQYKCMRXIL-SWOGZVPRSA-N -1 3 376.464 3.673 20 30 GHEDHM N#Cc1c(F)cccc1NC1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737705157 598239180 /nfs/dbraw/zinc/23/91/80/598239180.db2.gz LDSCRJPTXIYMKQ-UHFFFAOYSA-N -1 3 395.417 3.852 20 30 GHEDHM N#Cc1c(F)cccc1NC1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737705157 598239181 /nfs/dbraw/zinc/23/91/81/598239181.db2.gz LDSCRJPTXIYMKQ-UHFFFAOYSA-N -1 3 395.417 3.852 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCc2c1cccc2C ZINC000735418526 598271700 /nfs/dbraw/zinc/27/17/00/598271700.db2.gz GKJVCLUBRMVLFG-FQEVSTJZSA-N -1 3 388.475 3.560 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCc2c1cccc2C ZINC000735418526 598271701 /nfs/dbraw/zinc/27/17/01/598271701.db2.gz GKJVCLUBRMVLFG-FQEVSTJZSA-N -1 3 388.475 3.560 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000735419934 598432368 /nfs/dbraw/zinc/43/23/68/598432368.db2.gz KTFDOBVKTPGJMQ-KRWDZBQOSA-N -1 3 390.491 3.942 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000735419934 598432369 /nfs/dbraw/zinc/43/23/69/598432369.db2.gz KTFDOBVKTPGJMQ-KRWDZBQOSA-N -1 3 390.491 3.942 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289085 598513611 /nfs/dbraw/zinc/51/36/11/598513611.db2.gz GHEFTXALASUHAM-WZUFQYTHSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289085 598513612 /nfs/dbraw/zinc/51/36/12/598513612.db2.gz GHEFTXALASUHAM-WZUFQYTHSA-N -1 3 385.196 3.591 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(O)c(C)c1 ZINC000735450854 598606587 /nfs/dbraw/zinc/60/65/87/598606587.db2.gz GINIZBMLXRGTNT-UHFFFAOYSA-N -1 3 376.342 3.736 20 30 GHEDHM CCn1c(C)cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC000736720501 598608191 /nfs/dbraw/zinc/60/81/91/598608191.db2.gz SMZOFQMLXHLJRU-UHFFFAOYSA-N -1 3 377.374 3.770 20 30 GHEDHM C#Cc1cccc(N(CC)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735390895 598645630 /nfs/dbraw/zinc/64/56/30/598645630.db2.gz HQDMTQCMWQFFEU-UHFFFAOYSA-N -1 3 382.880 3.725 20 30 GHEDHM C#Cc1cccc(N(CC)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735390895 598645632 /nfs/dbraw/zinc/64/56/32/598645632.db2.gz HQDMTQCMWQFFEU-UHFFFAOYSA-N -1 3 382.880 3.725 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)c1cccc(F)c1 ZINC000735418915 598655704 /nfs/dbraw/zinc/65/57/04/598655704.db2.gz LPVSDMAXYAKBGR-RVDMUPIBSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(C)c1cccc(F)c1 ZINC000735418915 598655706 /nfs/dbraw/zinc/65/57/06/598655706.db2.gz LPVSDMAXYAKBGR-RVDMUPIBSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000819743305 599317768 /nfs/dbraw/zinc/31/77/68/599317768.db2.gz GONWTUCCZITERQ-URXFXBBRSA-N -1 3 399.498 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000819743305 599317770 /nfs/dbraw/zinc/31/77/70/599317770.db2.gz GONWTUCCZITERQ-URXFXBBRSA-N -1 3 399.498 3.676 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNc2c(Cl)cccc2-c2nnn[n-]2)ccc1OC ZINC000820841669 599557947 /nfs/dbraw/zinc/55/79/47/599557947.db2.gz BQNLPMPIEXWMLA-CYBMUJFWSA-N -1 3 398.854 3.822 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNc2c(Cl)cccc2-c2nn[n-]n2)ccc1OC ZINC000820841669 599557948 /nfs/dbraw/zinc/55/79/48/599557948.db2.gz BQNLPMPIEXWMLA-CYBMUJFWSA-N -1 3 398.854 3.822 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000819742948 599629955 /nfs/dbraw/zinc/62/99/55/599629955.db2.gz CGUXKWAHDJAKOD-AHRSYUTCSA-N -1 3 397.523 3.755 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 ZINC000819742948 599629956 /nfs/dbraw/zinc/62/99/56/599629956.db2.gz CGUXKWAHDJAKOD-AHRSYUTCSA-N -1 3 397.523 3.755 20 30 GHEDHM COc1sc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826222205 607528267 /nfs/dbraw/zinc/52/82/67/607528267.db2.gz NSHQRXXGNYDSTR-AATRIKPKSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1sc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826222205 607528268 /nfs/dbraw/zinc/52/82/68/607528268.db2.gz NSHQRXXGNYDSTR-AATRIKPKSA-N -1 3 391.250 3.595 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000823909625 607674812 /nfs/dbraw/zinc/67/48/12/607674812.db2.gz LEOVMUDYGYOXBD-IRXDYDNUSA-N -1 3 379.489 3.555 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000823909625 607674813 /nfs/dbraw/zinc/67/48/13/607674813.db2.gz LEOVMUDYGYOXBD-IRXDYDNUSA-N -1 3 379.489 3.555 20 30 GHEDHM FC(F)(F)c1ccccc1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822728393 606176297 /nfs/dbraw/zinc/17/62/97/606176297.db2.gz HZDNCYDZVPKBFV-UHFFFAOYSA-N -1 3 386.337 3.689 20 30 GHEDHM FC(F)(F)c1ccccc1C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822728393 606176299 /nfs/dbraw/zinc/17/62/99/606176299.db2.gz HZDNCYDZVPKBFV-UHFFFAOYSA-N -1 3 386.337 3.689 20 30 GHEDHM N#Cc1cccc(COc2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000822837686 606447348 /nfs/dbraw/zinc/44/73/48/606447348.db2.gz RWCAODIQBGFEFZ-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cccc(COc2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000822837686 606447350 /nfs/dbraw/zinc/44/73/50/606447350.db2.gz RWCAODIQBGFEFZ-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000819745932 606588354 /nfs/dbraw/zinc/58/83/54/606588354.db2.gz VKLYLWXEYPMPLI-CYBMUJFWSA-N -1 3 398.417 3.604 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000819745932 606588355 /nfs/dbraw/zinc/58/83/55/606588355.db2.gz VKLYLWXEYPMPLI-CYBMUJFWSA-N -1 3 398.417 3.604 20 30 GHEDHM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000819987617 606621248 /nfs/dbraw/zinc/62/12/48/606621248.db2.gz CAQSEWQUIVJPLI-UHFFFAOYSA-N -1 3 380.839 3.599 20 30 GHEDHM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000819987617 606621249 /nfs/dbraw/zinc/62/12/49/606621249.db2.gz CAQSEWQUIVJPLI-UHFFFAOYSA-N -1 3 380.839 3.599 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1ccccc1C#N ZINC000820557276 606628375 /nfs/dbraw/zinc/62/83/75/606628375.db2.gz XTOBHWQMAHAJAB-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1C#N ZINC000820557276 606628378 /nfs/dbraw/zinc/62/83/78/606628378.db2.gz XTOBHWQMAHAJAB-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM N#CC1(OC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)CCC1 ZINC000822801926 606802030 /nfs/dbraw/zinc/80/20/30/606802030.db2.gz RJXBACSSGFRYTO-UHFFFAOYSA-N -1 3 395.806 3.915 20 30 GHEDHM N#CC1(OC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[n-]n3)c2)CCC1 ZINC000822801926 606802032 /nfs/dbraw/zinc/80/20/32/606802032.db2.gz RJXBACSSGFRYTO-UHFFFAOYSA-N -1 3 395.806 3.915 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3cccnc3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016218 607171521 /nfs/dbraw/zinc/17/15/21/607171521.db2.gz WJNHDFSFQIWNPE-MDZDMXLPSA-N -1 3 396.454 3.881 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3cccnc3)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016218 607171522 /nfs/dbraw/zinc/17/15/22/607171522.db2.gz WJNHDFSFQIWNPE-MDZDMXLPSA-N -1 3 396.454 3.881 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000819745549 607197879 /nfs/dbraw/zinc/19/78/79/607197879.db2.gz IWXDWPXAWHTAAP-UHFFFAOYSA-N -1 3 393.838 3.612 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000819745549 607197880 /nfs/dbraw/zinc/19/78/80/607197880.db2.gz IWXDWPXAWHTAAP-UHFFFAOYSA-N -1 3 393.838 3.612 20 30 GHEDHM N#CCCCCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826381511 608058498 /nfs/dbraw/zinc/05/84/98/608058498.db2.gz OLTMJXGSWGKWKE-UHFFFAOYSA-N -1 3 396.838 3.736 20 30 GHEDHM N#CCCCCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826381511 608058499 /nfs/dbraw/zinc/05/84/99/608058499.db2.gz OLTMJXGSWGKWKE-UHFFFAOYSA-N -1 3 396.838 3.736 20 30 GHEDHM COc1nc2ccccc2cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000826221782 608121524 /nfs/dbraw/zinc/12/15/24/608121524.db2.gz UNIMWIDAJMISNN-NTCAYCPXSA-N -1 3 383.411 3.636 20 30 GHEDHM COc1nc2ccccc2cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000826221782 608121525 /nfs/dbraw/zinc/12/15/25/608121525.db2.gz UNIMWIDAJMISNN-NTCAYCPXSA-N -1 3 383.411 3.636 20 30 GHEDHM C[C@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824755856 608207013 /nfs/dbraw/zinc/20/70/13/608207013.db2.gz MHMWFPOHQGFTKJ-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824755856 608207014 /nfs/dbraw/zinc/20/70/14/608207014.db2.gz MHMWFPOHQGFTKJ-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM N#Cc1ccccc1CSCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826387388 608222443 /nfs/dbraw/zinc/22/24/43/608222443.db2.gz SMLVUYCODRFCKO-UHFFFAOYSA-N -1 3 387.472 3.632 20 30 GHEDHM N#Cc1ccccc1CSCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826387388 608222445 /nfs/dbraw/zinc/22/24/45/608222445.db2.gz SMLVUYCODRFCKO-UHFFFAOYSA-N -1 3 387.472 3.632 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nnn[n-]2)s1)CC3 ZINC000826212371 608228847 /nfs/dbraw/zinc/22/88/47/608228847.db2.gz ONSWLUTXAGHBFJ-NTMALXAHSA-N -1 3 377.429 3.631 20 30 GHEDHM N#Cc1cc(C=C2CCC(=Cc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)ccc1F ZINC000826383790 608875031 /nfs/dbraw/zinc/87/50/31/608875031.db2.gz QBCNPTSRTNEYKZ-UFSWOOAPSA-N -1 3 389.365 3.846 20 30 GHEDHM N#Cc1cc(C=C2CCC(=Cc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)ccc1F ZINC000826383790 608875034 /nfs/dbraw/zinc/87/50/34/608875034.db2.gz QBCNPTSRTNEYKZ-UFSWOOAPSA-N -1 3 389.365 3.846 20 30 GHEDHM C#CCCCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823840730 609140420 /nfs/dbraw/zinc/14/04/20/609140420.db2.gz CRUYCYZKSMZMMR-INIZCTEOSA-N -1 3 390.472 3.750 20 30 GHEDHM C#CCCCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823840730 609140421 /nfs/dbraw/zinc/14/04/21/609140421.db2.gz CRUYCYZKSMZMMR-INIZCTEOSA-N -1 3 390.472 3.750 20 30 GHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403600 609271103 /nfs/dbraw/zinc/27/11/03/609271103.db2.gz WZBTTWFABLYPBO-SOFGYWHQSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403600 609271104 /nfs/dbraw/zinc/27/11/04/609271104.db2.gz WZBTTWFABLYPBO-SOFGYWHQSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401075 609274723 /nfs/dbraw/zinc/27/47/23/609274723.db2.gz OXRVCMYAMKRAJK-ORCRQEGFSA-N -1 3 378.285 3.642 20 30 GHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401075 609274724 /nfs/dbraw/zinc/27/47/24/609274724.db2.gz OXRVCMYAMKRAJK-ORCRQEGFSA-N -1 3 378.285 3.642 20 30 GHEDHM CC(C)(C#N)CNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824059412 609429829 /nfs/dbraw/zinc/42/98/29/609429829.db2.gz TUTBVPQDSPLUKE-UHFFFAOYSA-N -1 3 396.838 3.592 20 30 GHEDHM CC(C)(C#N)CNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824059412 609429830 /nfs/dbraw/zinc/42/98/30/609429830.db2.gz TUTBVPQDSPLUKE-UHFFFAOYSA-N -1 3 396.838 3.592 20 30 GHEDHM COc1ccc(OC(F)F)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826210874 609473727 /nfs/dbraw/zinc/47/37/27/609473727.db2.gz HZRRFRJJJYFDIH-UHFFFAOYSA-N -1 3 394.769 3.576 20 30 GHEDHM COc1ccc(OC(F)F)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826210874 609473729 /nfs/dbraw/zinc/47/37/29/609473729.db2.gz HZRRFRJJJYFDIH-UHFFFAOYSA-N -1 3 394.769 3.576 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(SC(F)F)c1 ZINC000066554809 837767710 /nfs/dbraw/zinc/76/77/10/837767710.db2.gz KMOLWSIZHMECRY-UHFFFAOYSA-N -1 3 377.416 3.749 20 30 GHEDHM Cc1ccccc1-c1cc(=NC(=O)c2cnn(CCC#N)c2-c2ccccc2)[nH][n-]1 ZINC000430282738 835944202 /nfs/dbraw/zinc/94/42/02/835944202.db2.gz GMRBSCNABHBKMZ-UHFFFAOYSA-N -1 3 396.454 3.837 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c(F)c1 ZINC000236164471 835993257 /nfs/dbraw/zinc/99/32/57/835993257.db2.gz RYOOAEKYGJUAIQ-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM CC(C)Cn1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000892496958 836231843 /nfs/dbraw/zinc/23/18/43/836231843.db2.gz UAXNXOJDZTWIOS-LBPRGKRZSA-N -1 3 379.247 3.807 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCCC1 ZINC000040215472 838268053 /nfs/dbraw/zinc/26/80/53/838268053.db2.gz IPWCDKCYOHINAB-UHFFFAOYSA-N -1 3 377.691 3.607 20 30 GHEDHM Cn1c(Br)c(C#N)c2c1nc(Cl)nc2Nc1ccc(F)c([O-])c1 ZINC001211216882 839836092 /nfs/dbraw/zinc/83/60/92/839836092.db2.gz RBJJCBVKIWATGT-UHFFFAOYSA-N -1 3 396.607 3.844 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1csc2ccccc12 ZINC000047182011 840453161 /nfs/dbraw/zinc/45/31/61/840453161.db2.gz HDIMAQRBPIFMPQ-UHFFFAOYSA-N -1 3 379.485 3.669 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2nccs2)c1 ZINC000047408849 840800355 /nfs/dbraw/zinc/80/03/55/840800355.db2.gz HNBHRWHUTGSFAG-UHFFFAOYSA-N -1 3 378.457 3.558 20 30 GHEDHM CC(C)([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000684310002 841678477 /nfs/dbraw/zinc/67/84/77/841678477.db2.gz ZGQVFRDSPMSUIS-UHFFFAOYSA-N -1 3 392.246 3.823 20 30 GHEDHM CC(C)(C)OC(=O)Nc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)ccc1F ZINC000730689310 861240296 /nfs/dbraw/zinc/24/02/96/861240296.db2.gz FDTXZVWEQDRSRR-CYBMUJFWSA-N -1 3 398.394 3.529 20 30 GHEDHM CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000585722716 842215823 /nfs/dbraw/zinc/21/58/23/842215823.db2.gz IPFZBVYHEQZRHS-UHFFFAOYSA-N -1 3 383.517 3.915 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3F)oc2C)c1 ZINC000121666912 844810803 /nfs/dbraw/zinc/81/08/03/844810803.db2.gz OPOIUACVZXMDRY-MRXNPFEDSA-N -1 3 393.374 3.759 20 30 GHEDHM N#Cc1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)sc2c1CCC2 ZINC000182480747 845466083 /nfs/dbraw/zinc/46/60/83/845466083.db2.gz LKMPTXKGXIWJAZ-UHFFFAOYSA-N -1 3 379.344 3.870 20 30 GHEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000121705507 845530020 /nfs/dbraw/zinc/53/00/20/845530020.db2.gz GBEDHLPWGPGQPN-LLVKDONJSA-N -1 3 399.232 3.684 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1c[nH]c2ccc(F)cc12 ZINC000501958908 847348019 /nfs/dbraw/zinc/34/80/19/847348019.db2.gz VMVAQUJSTANNJV-UHFFFAOYSA-N -1 3 394.450 3.578 20 30 GHEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000582907638 848679054 /nfs/dbraw/zinc/67/90/54/848679054.db2.gz JUUJYZCOTDPKQG-UHFFFAOYSA-N -1 3 388.514 3.612 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(Cl)c1Cl ZINC000514495147 849927515 /nfs/dbraw/zinc/92/75/15/849927515.db2.gz MGSTWRYWAHHZID-UHFFFAOYSA-N -1 3 378.259 3.832 20 30 GHEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000514699412 850186302 /nfs/dbraw/zinc/18/63/02/850186302.db2.gz WNWPMMOYFIJDEN-IINYFYTJSA-N -1 3 391.718 3.853 20 30 GHEDHM C[C@H]([N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1noc(C(F)(F)F)n1 ZINC000910751981 851366157 /nfs/dbraw/zinc/36/61/57/851366157.db2.gz DWVUPHCPOWUSSN-IMTBSYHQSA-N -1 3 385.239 3.995 20 30 GHEDHM C=CCc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc(OC)c1O ZINC000426754749 852361357 /nfs/dbraw/zinc/36/13/57/852361357.db2.gz SSYCFCXHQMVLFO-KRWDZBQOSA-N -1 3 379.815 3.837 20 30 GHEDHM COc1ccc([C@H]2CCCCC2=N[N-]S(=O)(=O)Cc2ccccc2)cc1F ZINC000732713075 862440651 /nfs/dbraw/zinc/44/06/51/862440651.db2.gz WOCGYJGFIPICBX-QGZVFWFLSA-N -1 3 390.480 3.968 20 30 GHEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000732707599 862453485 /nfs/dbraw/zinc/45/34/85/862453485.db2.gz AVASFUSRTJWXDJ-HNNXBMFYSA-N -1 3 378.819 3.795 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000156488713 853813686 /nfs/dbraw/zinc/81/36/86/853813686.db2.gz GAYJWKOWTHXKGN-HNNXBMFYSA-N -1 3 391.305 3.883 20 30 GHEDHM C[C@@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1=O ZINC000328972386 854637391 /nfs/dbraw/zinc/63/73/91/854637391.db2.gz VKKVVBVQELDOKD-OCCSQVGLSA-N -1 3 392.883 3.878 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000045411268 854872260 /nfs/dbraw/zinc/87/22/60/854872260.db2.gz LZYPIMQBFJANNK-UHFFFAOYSA-N -1 3 381.520 3.519 20 30 GHEDHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000589589254 855073214 /nfs/dbraw/zinc/07/32/14/855073214.db2.gz HAPZSUCMENATJA-MRXNPFEDSA-N -1 3 383.517 3.914 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccc3C(F)(F)F)cc2)cc1 ZINC000057122243 855787349 /nfs/dbraw/zinc/78/73/49/855787349.db2.gz WPSYWYUJMNRFIF-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000133912016 862754866 /nfs/dbraw/zinc/75/48/66/862754866.db2.gz ZFKXUOFEQXAGBY-HXUWFJFHSA-N -1 3 391.515 3.810 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C#N)o3)cc2)cc1 ZINC000427988637 856982716 /nfs/dbraw/zinc/98/27/16/856982716.db2.gz PMWOLDGHHFROMX-UHFFFAOYSA-N -1 3 381.413 3.513 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063979980 857090728 /nfs/dbraw/zinc/09/07/28/857090728.db2.gz COYSSTHDBSLOEF-UHFFFAOYSA-N -1 3 392.484 3.922 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000134176347 862877974 /nfs/dbraw/zinc/87/79/74/862877974.db2.gz GIGJXAJXCMVPDG-OAHLLOKOSA-N -1 3 379.504 3.667 20 30 GHEDHM N#Cc1cc(F)cc(C2(C(=O)NCc3ccc([O-])c(Br)c3)CC2)c1 ZINC000574180216 857261945 /nfs/dbraw/zinc/26/19/45/857261945.db2.gz CFOUJGFEIFVTTJ-UHFFFAOYSA-N -1 3 389.224 3.513 20 30 GHEDHM CCn1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c(C)nc21 ZINC000442532918 857922120 /nfs/dbraw/zinc/92/21/20/857922120.db2.gz WFDZBZJTAWVNRZ-CQSZACIVSA-N -1 3 394.385 3.995 20 30 GHEDHM Cc1nc([N-]C(=O)c2occc2COc2cccc(C#N)c2)nn1-c1ccccc1 ZINC001129226534 857936830 /nfs/dbraw/zinc/93/68/30/857936830.db2.gz HXMMXPSUBNQYJP-UHFFFAOYSA-N -1 3 399.410 3.872 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521796272 858316832 /nfs/dbraw/zinc/31/68/32/858316832.db2.gz AYELEOUWXZAZKR-NSHDSACASA-N -1 3 385.401 3.970 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000046799630 858496508 /nfs/dbraw/zinc/49/65/08/858496508.db2.gz ZTRXYCBAXZZOST-IBGZPJMESA-N -1 3 383.879 3.813 20 30 GHEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(F)(F)F ZINC000595416483 858524643 /nfs/dbraw/zinc/52/46/43/858524643.db2.gz BZSKNGZLYZNGBW-UHFFFAOYSA-N -1 3 388.333 3.834 20 30 GHEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000595844472 858692434 /nfs/dbraw/zinc/69/24/34/858692434.db2.gz FTFFOLUCIRKRMX-MCIONIFRSA-N -1 3 387.505 3.714 20 30 GHEDHM COc1cccc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1Cl ZINC000596613835 858968285 /nfs/dbraw/zinc/96/82/85/858968285.db2.gz LMPLAZNLNSTICD-UHFFFAOYSA-N -1 3 398.850 3.697 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1Cl ZINC000509376391 859229166 /nfs/dbraw/zinc/22/91/66/859229166.db2.gz QMIOIPZVZKTSOM-UHFFFAOYSA-N -1 3 376.743 3.753 20 30 GHEDHM CCC(N=Nc1ncnc2c1cnn2-c1ccccc1)c1ccc([O-])c(F)c1 ZINC000764683248 859566541 /nfs/dbraw/zinc/56/65/41/859566541.db2.gz RSRDOVPQXIZHJB-UHFFFAOYSA-N -1 3 376.395 3.886 20 30 GHEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000484355930 859971434 /nfs/dbraw/zinc/97/14/34/859971434.db2.gz YRVMUHVVMXYHRL-MRXNPFEDSA-N -1 3 399.516 3.726 20 30 GHEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000555072515 859981681 /nfs/dbraw/zinc/98/16/81/859981681.db2.gz IZBDUMUXSQVPGL-UHFFFAOYSA-N -1 3 388.798 3.751 20 30 GHEDHM N#Cc1ccc(N2CCC(/N=C\c3cc(Br)ccc3[O-])CC2)nc1 ZINC000727265170 860020413 /nfs/dbraw/zinc/02/04/13/860020413.db2.gz KDKRWTBMZOMVGE-MTJSOVHGSA-N -1 3 385.265 3.509 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000124232282 860281116 /nfs/dbraw/zinc/28/11/16/860281116.db2.gz PPZIEJLDQPIELA-NSHDSACASA-N -1 3 389.424 3.772 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1Cc1ccccc1 ZINC000060944252 860401144 /nfs/dbraw/zinc/40/11/44/860401144.db2.gz VITFVWUZNTVWQJ-UHFFFAOYSA-N -1 3 386.451 3.992 20 30 GHEDHM C=CCN(CC=C)C(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000195121033 860440714 /nfs/dbraw/zinc/44/07/14/860440714.db2.gz FYKMCFUVWMJMNY-UHFFFAOYSA-N -1 3 397.431 3.735 20 30 GHEDHM CCc1cc(N=NCc2cc(Cl)c([O-])c(OC)c2)nc(-c2ccccn2)n1 ZINC000730464247 861121987 /nfs/dbraw/zinc/12/19/87/861121987.db2.gz LSVKUPLHNPCREO-UHFFFAOYSA-N -1 3 383.839 3.915 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000444033633 863187645 /nfs/dbraw/zinc/18/76/45/863187645.db2.gz GPFAJMWGNJLSDR-UHFFFAOYSA-N -1 3 389.908 3.998 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735801408 865001393 /nfs/dbraw/zinc/00/13/93/865001393.db2.gz KEXQBGCXRVCABZ-UHFFFAOYSA-N -1 3 389.795 3.513 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)CCc2ccc(Br)cc2)c1[O-] ZINC000920174369 881883463 /nfs/dbraw/zinc/88/34/63/881883463.db2.gz ZZTUHNSZNAFTFR-SVKBEJCWSA-N -1 3 377.282 3.791 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1csc(-c2cnccn2)n1 ZINC000741111095 866231564 /nfs/dbraw/zinc/23/15/64/866231564.db2.gz GPHPYAGNGOMXAD-HNNXBMFYSA-N -1 3 399.435 3.714 20 30 GHEDHM C=CCC1(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCCCC1 ZINC000456369551 866508587 /nfs/dbraw/zinc/50/85/87/866508587.db2.gz QMXMMPQBWMHHFH-UHFFFAOYSA-N -1 3 383.448 3.950 20 30 GHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(SCC(F)F)cc1 ZINC000741762785 866769818 /nfs/dbraw/zinc/76/98/18/866769818.db2.gz TVGFRUHMULVPNW-UHFFFAOYSA-N -1 3 384.473 3.887 20 30 GHEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])Nc1ccc(F)c(F)c1F ZINC000005290833 882159817 /nfs/dbraw/zinc/15/98/17/882159817.db2.gz UAFPVPUXBDVFCX-CGOBSMCZSA-N -1 3 387.155 3.630 20 30 GHEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000428398381 868164124 /nfs/dbraw/zinc/16/41/24/868164124.db2.gz HSDZAKPCZFKAES-INIZCTEOSA-N -1 3 383.395 3.648 20 30 GHEDHM N#Cc1cccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)c1 ZINC000445983617 869234922 /nfs/dbraw/zinc/23/49/22/869234922.db2.gz ZQTRDZFUSKYAME-HNNXBMFYSA-N -1 3 375.306 3.728 20 30 GHEDHM N#C[C@@]1([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCc2ccccc2C1 ZINC000446775823 870332368 /nfs/dbraw/zinc/33/23/68/870332368.db2.gz ZFJSAEWXDVEPIT-GOSISDBHSA-N -1 3 395.311 3.864 20 30 GHEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccnc1Oc1ccccc1 ZINC001192700122 870606840 /nfs/dbraw/zinc/60/68/40/870606840.db2.gz OEIHRGAOMMSKFF-UHFFFAOYSA-N -1 3 379.397 3.846 20 30 GHEDHM Cc1ccc(NC(=O)CCCC#N)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000461780639 870945616 /nfs/dbraw/zinc/94/56/16/870945616.db2.gz UEUGUBDIXORKMN-UHFFFAOYSA-N -1 3 375.425 3.567 20 30 GHEDHM N#Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1F ZINC000540333171 870997667 /nfs/dbraw/zinc/99/76/67/870997667.db2.gz JITBBNBYTZNCJO-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM C=CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC001193413594 871096762 /nfs/dbraw/zinc/09/67/62/871096762.db2.gz OSHJXSIZIQQXLZ-NRFANRHFSA-N -1 3 399.462 3.896 20 30 GHEDHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC001194355532 871634350 /nfs/dbraw/zinc/63/43/50/871634350.db2.gz MESJGEXJRLXUAR-UMSPYCQHSA-N -1 3 376.703 3.573 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)cc(=O)[n-]1 ZINC000618668197 871815623 /nfs/dbraw/zinc/81/56/23/871815623.db2.gz SBLRHQYUZQSBEE-LJQANCHMSA-N -1 3 385.427 3.838 20 30 GHEDHM C=CCCOc1ccc(C(=O)Nc2c(C)c([O-])c(C(=O)OCC)cc2C#N)cc1 ZINC001195131673 872190330 /nfs/dbraw/zinc/19/03/30/872190330.db2.gz TZTLWSKRHMQIKB-UHFFFAOYSA-N -1 3 394.427 3.956 20 30 GHEDHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1OC ZINC000447791355 872305838 /nfs/dbraw/zinc/30/58/38/872305838.db2.gz ISIDPXVSWIUCEF-UHFFFAOYSA-N -1 3 387.244 3.683 20 30 GHEDHM C=CC[C@H]1N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCCC1(C)C ZINC000767228132 872338410 /nfs/dbraw/zinc/33/84/10/872338410.db2.gz MPVZANUYYKFWOF-GOSISDBHSA-N -1 3 396.528 3.719 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000102119770 872576591 /nfs/dbraw/zinc/57/65/91/872576591.db2.gz CWBNAYKQQBBHPO-KRWDZBQOSA-N -1 3 395.415 3.907 20 30 GHEDHM N#Cc1c(F)cccc1N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527156484 872740621 /nfs/dbraw/zinc/74/06/21/872740621.db2.gz DKIMXVBEMAYOBD-UHFFFAOYSA-N -1 3 375.403 3.519 20 30 GHEDHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448096940 872840599 /nfs/dbraw/zinc/84/05/99/872840599.db2.gz HAOYQMJDEUXTOB-UHFFFAOYSA-N -1 3 381.413 3.931 20 30 GHEDHM N#Cc1ccccc1NC(=S)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001196325759 873032739 /nfs/dbraw/zinc/03/27/39/873032739.db2.gz QZQPYBVXMZXZEM-UHFFFAOYSA-N -1 3 399.431 3.848 20 30 GHEDHM C=CCN(C(=O)c1cc([O-])cc(I)c1)C1CCCCC1 ZINC001196410304 873097688 /nfs/dbraw/zinc/09/76/88/873097688.db2.gz ZXGDMJIPGQPOGA-UHFFFAOYSA-N -1 3 385.245 3.958 20 30 GHEDHM COc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc(OC)c1[O-] ZINC000163132381 873225976 /nfs/dbraw/zinc/22/59/76/873225976.db2.gz AXVJNCZHLCBWTG-LBPRGKRZSA-N -1 3 381.215 3.711 20 30 GHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)o2)cc1 ZINC001197388206 873760304 /nfs/dbraw/zinc/76/03/04/873760304.db2.gz UVHIVKFTVINMEY-UHFFFAOYSA-N -1 3 397.394 3.614 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(OCC)c(CC)c2)c(C)c1[O-] ZINC001198195260 874288070 /nfs/dbraw/zinc/28/80/70/874288070.db2.gz UOFNRRQMAOPZPL-UHFFFAOYSA-N -1 3 396.443 3.962 20 30 GHEDHM CC(N=Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1sccc1[O-] ZINC000769790423 874290950 /nfs/dbraw/zinc/29/09/50/874290950.db2.gz LAKAQUIKVCSEQB-UHFFFAOYSA-N -1 3 379.367 3.583 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C)n1-c1cnn(C)c1 ZINC000851037909 877362003 /nfs/dbraw/zinc/36/20/03/877362003.db2.gz IHUYRNNSQAVWRU-INIZCTEOSA-N -1 3 387.365 3.732 20 30 GHEDHM CC(C)(C)OC(=O)C1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)CC=CC1 ZINC000851038930 877363420 /nfs/dbraw/zinc/36/34/20/877363420.db2.gz NWZOKJMLKQICDW-ZDUSSCGKSA-N -1 3 380.366 3.955 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)C[C@H](C#N)c2c(Cl)cccc2Cl)[n-]n1 ZINC001183092498 912276366 /nfs/dbraw/zinc/27/63/66/912276366.db2.gz ZPLXUAZFJGBGDH-SECBINFHSA-N -1 3 381.219 3.529 20 30 GHEDHM COc1ccc(CN=Nc2cccc(F)c2[N+](=O)[O-])c(Br)c1[O-] ZINC000790308626 879610120 /nfs/dbraw/zinc/61/01/20/879610120.db2.gz JORVJJMOYNOLFY-UHFFFAOYSA-N -1 3 384.161 3.657 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cnc(C2(C)OCCO2)s1 ZINC000859286826 883719643 /nfs/dbraw/zinc/71/96/43/883719643.db2.gz POGHTWZDFPBECM-GFCCVEGCSA-N -1 3 389.502 3.867 20 30 GHEDHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714135 884235222 /nfs/dbraw/zinc/23/52/22/884235222.db2.gz YCKIVFHLFSIVRN-LURJTMIESA-N -1 3 379.136 3.642 20 30 GHEDHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714135 884235235 /nfs/dbraw/zinc/23/52/35/884235235.db2.gz YCKIVFHLFSIVRN-LURJTMIESA-N -1 3 379.136 3.642 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(OC(C)(C)C)n1 ZINC000860471626 884710435 /nfs/dbraw/zinc/71/04/35/884710435.db2.gz OGTRALRHDSVRNO-AWEZNQCLSA-N -1 3 381.432 3.619 20 30 GHEDHM C#CC[C@]1(C(=O)Nc2cc([O-])cc(Cl)c2)CCCN1C(=O)OC(C)(C)C ZINC001184104021 913003327 /nfs/dbraw/zinc/00/33/27/913003327.db2.gz XYEXXXQILSJEQU-LJQANCHMSA-N -1 3 378.856 3.777 20 30 GHEDHM CCc1csc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)cn2)n1 ZINC000762635577 886593640 /nfs/dbraw/zinc/59/36/40/886593640.db2.gz ICXDVOHZIQIXRC-OAHLLOKOSA-N -1 3 399.863 3.506 20 30 GHEDHM CCc1ccc([C@H](C)CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC001184273107 913090631 /nfs/dbraw/zinc/09/06/31/913090631.db2.gz OWYRPHFUZSYXME-MRXNPFEDSA-N -1 3 394.471 3.647 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(C(F)(F)F)c2)cc1Cl ZINC000808979260 886959267 /nfs/dbraw/zinc/95/92/67/886959267.db2.gz GSLPGXOOSLAIJZ-GFCCVEGCSA-N -1 3 397.740 3.724 20 30 GHEDHM Cc1cc(C(=O)OC(C)(C)C)cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000459302420 887196990 /nfs/dbraw/zinc/19/69/90/887196990.db2.gz DJGSCGWOBJAVMK-QGZVFWFLSA-N -1 3 394.475 3.758 20 30 GHEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc([C@H](C)CCC)no1 ZINC000809359483 887327988 /nfs/dbraw/zinc/32/79/88/887327988.db2.gz PDKYHWZCYVMLOO-HIFRSBDPSA-N -1 3 390.509 3.943 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc3c(cc2OC(F)F)OCO3)c(OC)cc1[O-] ZINC000763107197 887670469 /nfs/dbraw/zinc/67/04/69/887670469.db2.gz WYDHBVLRFZBYHR-ARJAWSKDSA-N -1 3 394.326 3.636 20 30 GHEDHM C#C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccc(F)cc1 ZINC000794896813 888765217 /nfs/dbraw/zinc/76/52/17/888765217.db2.gz TYSUGDCIVQQQGT-HNNXBMFYSA-N -1 3 399.219 3.534 20 30 GHEDHM C=CC[C@H](C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)c1ccccc1 ZINC001132540243 889040698 /nfs/dbraw/zinc/04/06/98/889040698.db2.gz WMDKEIKDJNVDRB-AWEZNQCLSA-N -1 3 393.534 3.518 20 30 GHEDHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1ccc2ccccc2c1 ZINC000811186375 889272790 /nfs/dbraw/zinc/27/27/90/889272790.db2.gz LYHIPOABAXOROU-CABCVRRESA-N -1 3 388.423 3.840 20 30 GHEDHM N#CCCN(C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1)c1ccccc1 ZINC000811393362 889531877 /nfs/dbraw/zinc/53/18/77/889531877.db2.gz GCJYVLRVDPWIJA-UHFFFAOYSA-N -1 3 387.848 3.986 20 30 GHEDHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000811395120 889536574 /nfs/dbraw/zinc/53/65/74/889536574.db2.gz VTTJNMGNRQBTPB-SNVBAGLBSA-N -1 3 379.869 3.771 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(C(=O)OCc3ccccc3)cc2)c1[O-] ZINC000811625221 889792356 /nfs/dbraw/zinc/79/23/56/889792356.db2.gz HCVXIWVNCXTSCJ-CFRMEGHHSA-N -1 3 390.439 3.564 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(C(=O)OCc3ccccc3)cc2)c1[O-] ZINC000811625222 889792538 /nfs/dbraw/zinc/79/25/38/889792538.db2.gz HCVXIWVNCXTSCJ-ZMOGYAJESA-N -1 3 390.439 3.564 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000130475459 890326689 /nfs/dbraw/zinc/32/66/89/890326689.db2.gz XTJRHYWOIDHDQJ-AWEZNQCLSA-N -1 3 378.171 3.863 20 30 GHEDHM COC(=O)c1coc(C=CC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)c1 ZINC000870454606 890361400 /nfs/dbraw/zinc/36/14/00/890361400.db2.gz NCGPCDSVCRRAJQ-IDTUSYRASA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1coc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)c1 ZINC000870454606 890361420 /nfs/dbraw/zinc/36/14/20/890361420.db2.gz NCGPCDSVCRRAJQ-IDTUSYRASA-N -1 3 383.425 3.611 20 30 GHEDHM COCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)Nc1ccccc1OC ZINC000916931305 890424141 /nfs/dbraw/zinc/42/41/41/890424141.db2.gz PEYNNLPQMJUESI-AWEZNQCLSA-N -1 3 378.384 3.549 20 30 GHEDHM CCC[C@H](CCc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000130283162 890995151 /nfs/dbraw/zinc/99/51/51/890995151.db2.gz NVHUJKZQSXKUAN-LJQANCHMSA-N -1 3 379.504 3.714 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OCC(F)(F)F)n2)cc1 ZINC000124031132 891230718 /nfs/dbraw/zinc/23/07/18/891230718.db2.gz BYUGLAGQZOIIPO-AWEZNQCLSA-N -1 3 391.349 3.546 20 30 GHEDHM CCSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000825674059 891567235 /nfs/dbraw/zinc/56/72/35/891567235.db2.gz HGUORLHTDGZVEV-TWGQIWQCSA-N -1 3 376.445 3.523 20 30 GHEDHM CCSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000825674059 891567245 /nfs/dbraw/zinc/56/72/45/891567245.db2.gz HGUORLHTDGZVEV-TWGQIWQCSA-N -1 3 376.445 3.523 20 30 GHEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000563993223 894413016 /nfs/dbraw/zinc/41/30/16/894413016.db2.gz BUMAEXNSWKEKSW-FQEVSTJZSA-N -1 3 385.489 3.983 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1OC ZINC000826190698 895978101 /nfs/dbraw/zinc/97/81/01/895978101.db2.gz JXJPCIJHCVNCNG-QPJJXVBHSA-N -1 3 388.786 3.573 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1OC ZINC000826190698 895978109 /nfs/dbraw/zinc/97/81/09/895978109.db2.gz JXJPCIJHCVNCNG-QPJJXVBHSA-N -1 3 388.786 3.573 20 30 GHEDHM O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)N[C@H]1CCCN([O-])C1=O ZINC000820482874 897352985 /nfs/dbraw/zinc/35/29/85/897352985.db2.gz STZGZGYOIBQQOT-HQPKTYMTSA-N -1 3 376.865 3.578 20 30 GHEDHM N#Cc1c(Cl)cccc1SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826383243 898932312 /nfs/dbraw/zinc/93/23/12/898932312.db2.gz QYEPVDDXUSKWIE-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1c(Cl)cccc1SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826383243 898932322 /nfs/dbraw/zinc/93/23/22/898932322.db2.gz QYEPVDDXUSKWIE-UHFFFAOYSA-N -1 3 395.835 3.734 20 30 GHEDHM N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826384469 899085293 /nfs/dbraw/zinc/08/52/93/899085293.db2.gz WPFUEDRUXOXOCI-UHFFFAOYSA-N -1 3 392.322 3.817 20 30 GHEDHM N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826384469 899085305 /nfs/dbraw/zinc/08/53/05/899085305.db2.gz WPFUEDRUXOXOCI-UHFFFAOYSA-N -1 3 392.322 3.817 20 30 GHEDHM C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823873437 899270036 /nfs/dbraw/zinc/27/00/36/899270036.db2.gz MABJOUIVHIGPBK-HNNXBMFYSA-N -1 3 376.464 3.812 20 30 GHEDHM C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823873437 899270052 /nfs/dbraw/zinc/27/00/52/899270052.db2.gz MABJOUIVHIGPBK-HNNXBMFYSA-N -1 3 376.464 3.812 20 30 GHEDHM C=CCN(C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000823903853 899293599 /nfs/dbraw/zinc/29/35/99/899293599.db2.gz MKTGZLBIRUGOEB-OAHLLOKOSA-N -1 3 388.475 3.955 20 30 GHEDHM C=CCN(C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000823903853 899293614 /nfs/dbraw/zinc/29/36/14/899293614.db2.gz MKTGZLBIRUGOEB-OAHLLOKOSA-N -1 3 388.475 3.955 20 30 GHEDHM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC000824348090 899544162 /nfs/dbraw/zinc/54/41/62/899544162.db2.gz YZUMDGBYKMOQBG-YWEYNIOJSA-N -1 3 381.367 3.934 20 30 GHEDHM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000824348090 899544168 /nfs/dbraw/zinc/54/41/68/899544168.db2.gz YZUMDGBYKMOQBG-YWEYNIOJSA-N -1 3 381.367 3.934 20 30 GHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399701 899717333 /nfs/dbraw/zinc/71/73/33/899717333.db2.gz CPOFTQAHYFBJPC-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399701 899717340 /nfs/dbraw/zinc/71/73/40/899717340.db2.gz CPOFTQAHYFBJPC-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1ccncc1 ZINC000826401139 899731753 /nfs/dbraw/zinc/73/17/53/899731753.db2.gz QKZYKSYXBPHCJD-FPLPWBNLSA-N -1 3 383.411 3.737 20 30 GHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1ccncc1 ZINC000826401139 899731763 /nfs/dbraw/zinc/73/17/63/899731763.db2.gz QKZYKSYXBPHCJD-FPLPWBNLSA-N -1 3 383.411 3.737 20 30 GHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400780 899777875 /nfs/dbraw/zinc/77/78/75/899777875.db2.gz IAMQMBREROWANU-IZZDOVSWSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400780 899777883 /nfs/dbraw/zinc/77/78/83/899777883.db2.gz IAMQMBREROWANU-IZZDOVSWSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403033 899825631 /nfs/dbraw/zinc/82/56/31/899825631.db2.gz IGTXBGRDXZANJZ-SOFGYWHQSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403033 899825635 /nfs/dbraw/zinc/82/56/35/899825635.db2.gz IGTXBGRDXZANJZ-SOFGYWHQSA-N -1 3 378.285 3.801 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000018021946 899833902 /nfs/dbraw/zinc/83/39/02/899833902.db2.gz YXVLWIVFZALRTN-LBPRGKRZSA-N -1 3 392.286 3.980 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)ccc1[O-] ZINC001186317029 914468628 /nfs/dbraw/zinc/46/86/28/914468628.db2.gz VRSCKPZMYIJPQX-JOCHJYFZSA-N -1 3 383.451 3.829 20 30 GHEDHM C#C[C@H](CC)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC001186359965 914474335 /nfs/dbraw/zinc/47/43/35/914474335.db2.gz PMYYZLFLVWBQEA-OAHLLOKOSA-N -1 3 387.461 3.836 20 30 GHEDHM C=C(C)[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(F)c(F)c1 ZINC000576075246 901652943 /nfs/dbraw/zinc/65/29/43/901652943.db2.gz JRTQTJBPSZPTSU-INIZCTEOSA-N -1 3 399.415 3.557 20 30 GHEDHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000122766830 901844047 /nfs/dbraw/zinc/84/40/47/901844047.db2.gz FDUDUGVLIDGEBN-NRFANRHFSA-N -1 3 377.488 3.777 20 30 GHEDHM C=CCc1ccc(OCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(OC)c1 ZINC000845836219 902447527 /nfs/dbraw/zinc/44/75/27/902447527.db2.gz IFOCZDPIVODKIO-LJQANCHMSA-N -1 3 389.451 3.812 20 30 GHEDHM C=CCc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(OC)c1 ZINC000845836219 902447534 /nfs/dbraw/zinc/44/75/34/902447534.db2.gz IFOCZDPIVODKIO-LJQANCHMSA-N -1 3 389.451 3.812 20 30 GHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000846544580 903038411 /nfs/dbraw/zinc/03/84/11/903038411.db2.gz HSOCXVKTPXBILZ-LLVKDONJSA-N -1 3 379.254 3.967 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc([C@@H](C)C#N)c2)c(C)c1[O-] ZINC001148619507 904140793 /nfs/dbraw/zinc/14/07/93/904140793.db2.gz ZHIFQRJLYFSMBO-LBPRGKRZSA-N -1 3 377.400 3.628 20 30 GHEDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)cn1 ZINC000282732967 904295614 /nfs/dbraw/zinc/29/56/14/904295614.db2.gz XVVQFTTXTMDTQZ-UHFFFAOYSA-N -1 3 398.488 3.886 20 30 GHEDHM C=CCC[C@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290731016 914801438 /nfs/dbraw/zinc/80/14/38/914801438.db2.gz MZJZOLQAQPSUFH-WBVHZDCISA-N -1 3 397.441 3.794 20 30 GHEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nn1C1CCCCC1 ZINC000290865332 914849892 /nfs/dbraw/zinc/84/98/92/914849892.db2.gz CBKAYRRPLLLPET-UHFFFAOYSA-N -1 3 381.480 3.857 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000299280255 921277817 /nfs/dbraw/zinc/27/78/17/921277817.db2.gz HFCHGUXXKYJFSB-UHFFFAOYSA-N -1 3 379.416 3.623 20 30 GHEDHM C=CCN(CC(=O)[O-])Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000901587637 921375125 /nfs/dbraw/zinc/37/51/25/921375125.db2.gz XXNFWPCDOLKDKS-UHFFFAOYSA-N -1 3 394.212 3.522 20 30 GHEDHM C[C@]1(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)Cc2ccccc2C(=O)O1 ZINC000193769762 908695467 /nfs/dbraw/zinc/69/54/67/908695467.db2.gz AMJMYICBCZLTSU-LHSJRXKWSA-N -1 3 395.365 3.779 20 30 GHEDHM Cc1ccc(OC(F)F)c(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000795295441 909759203 /nfs/dbraw/zinc/75/92/03/909759203.db2.gz LSLYCCPRTFSFDJ-UHFFFAOYSA-N -1 3 390.386 3.862 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2occ3ccccc32)c(C)c1[O-] ZINC001182502864 911813084 /nfs/dbraw/zinc/81/30/84/911813084.db2.gz OTDQMHCCYGOEHR-UHFFFAOYSA-N -1 3 378.384 3.676 20 30 GHEDHM C[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001182520897 911850387 /nfs/dbraw/zinc/85/03/87/911850387.db2.gz VAPRMDWXYSKSOW-ILXRZTDVSA-N -1 3 387.480 3.874 20 30 GHEDHM COc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1NC(=O)OC(C)(C)C ZINC001187705253 915465000 /nfs/dbraw/zinc/46/50/00/915465000.db2.gz BCMKOJFFFCUGBO-UHFFFAOYSA-N -1 3 383.404 3.872 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1ncc(Cl)nc1Br ZINC001187993254 915670172 /nfs/dbraw/zinc/67/01/72/915670172.db2.gz PUMYVPRPMRONAN-UHFFFAOYSA-N -1 3 384.727 3.995 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)c(F)c1F ZINC001188891638 916279080 /nfs/dbraw/zinc/27/90/80/916279080.db2.gz DMDFAVRCEPFKEA-UHFFFAOYSA-N -1 3 387.367 3.825 20 30 GHEDHM C[Si](C)(C)C#Cc1ccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC001189169929 916468339 /nfs/dbraw/zinc/46/83/39/916468339.db2.gz NSNMTFCOAXWJID-UHFFFAOYSA-N -1 3 377.476 3.522 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1Cl ZINC001189412948 916617987 /nfs/dbraw/zinc/61/79/87/916617987.db2.gz POSAIPWRCFUDNO-ZDUSSCGKSA-N -1 3 388.798 3.836 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1Cl ZINC001189500865 916680910 /nfs/dbraw/zinc/68/09/10/916680910.db2.gz AGEOIHYNKAQHNB-UHFFFAOYSA-N -1 3 375.759 3.567 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](OCc3ccccc3)CC2)c1 ZINC001190677650 917506235 /nfs/dbraw/zinc/50/62/35/917506235.db2.gz VBEPNBMWCORMAJ-HDICACEKSA-N -1 3 388.464 3.504 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CC2CCOCC2)c2ccccc2)c1 ZINC001190677731 917506974 /nfs/dbraw/zinc/50/69/74/917506974.db2.gz VTDDIHJROWCRCD-LJQANCHMSA-N -1 3 388.464 3.534 20 30 GHEDHM COc1cc(C(=O)[N-]c2c(F)c(F)ccc2C#N)c(OC)cc1Br ZINC001191736811 918188270 /nfs/dbraw/zinc/18/82/70/918188270.db2.gz BKIORYPFDGANPX-UHFFFAOYSA-N -1 3 397.175 3.868 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363405572 918218006 /nfs/dbraw/zinc/21/80/06/918218006.db2.gz SRXUPBGCLQPTFU-LJQANCHMSA-N -1 3 385.414 3.850 20 30 GHEDHM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000796600234 918788884 /nfs/dbraw/zinc/78/88/84/918788884.db2.gz AIXSFBXSHXTRSA-HXUWFJFHSA-N -1 3 386.455 3.914 20 30 GHEDHM COc1cc(Br)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1[O-] ZINC001149058795 919304048 /nfs/dbraw/zinc/30/40/48/919304048.db2.gz OCTFGNKBRUMQPK-UHFFFAOYSA-N -1 3 392.253 3.844 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000298379986 920470171 /nfs/dbraw/zinc/47/01/71/920470171.db2.gz PHABHWDZRYOEHY-ZDUSSCGKSA-N -1 3 389.402 3.687 20 30 GHEDHM O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N([O-])Cc1ccc(F)cc1 ZINC000901373275 921049263 /nfs/dbraw/zinc/04/92/63/921049263.db2.gz VSTZSQVFPHSYQF-IXDOHACOSA-N -1 3 376.225 3.892 20 30 GHEDHM O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901374621 921052114 /nfs/dbraw/zinc/05/21/14/921052114.db2.gz NTTIIMOVUXSCFL-UHFFFAOYSA-N -1 3 399.443 3.831 20 30 GHEDHM Cc1ccc(I)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901374636 921052227 /nfs/dbraw/zinc/05/22/27/921052227.db2.gz OLYCXPCDDGUASG-UHFFFAOYSA-N -1 3 385.176 3.770 20 30 GHEDHM O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901375692 921053179 /nfs/dbraw/zinc/05/31/79/921053179.db2.gz KITIYFPNBNOBGW-UHFFFAOYSA-N -1 3 376.391 3.650 20 30 GHEDHM COc1cc(C=NN[C@H](C)CCc2ccc3c(c2)OCO3)cc(Cl)c1[O-] ZINC000802715235 922354629 /nfs/dbraw/zinc/35/46/29/922354629.db2.gz YHPQNIZGLGVKHF-GFCCVEGCSA-N -1 3 376.840 3.728 20 30 GHEDHM CSCC(=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000749443467 927106735 /nfs/dbraw/zinc/10/67/35/927106735.db2.gz GOXDHLHAMVXPCQ-QGZVFWFLSA-N -1 3 398.513 3.695 20 30 GHEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000752159525 928648722 /nfs/dbraw/zinc/64/87/22/928648722.db2.gz DOYIRIFTRUZQJZ-INIZCTEOSA-N -1 3 387.395 3.844 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000558930028 932323253 /nfs/dbraw/zinc/32/32/53/932323253.db2.gz LSWONVGYKFVCMF-UHFFFAOYSA-N -1 3 377.444 3.830 20 30 GHEDHM C[C@H]1C(=O)Nc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2N1C ZINC000797568902 932330231 /nfs/dbraw/zinc/33/02/31/932330231.db2.gz XQSQILZDIUSVOS-WCQYABFASA-N -1 3 382.489 3.707 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(F)c2SC)C1=O ZINC000798004808 932488217 /nfs/dbraw/zinc/48/82/17/932488217.db2.gz IRTHFYLSTODDKL-IBGZPJMESA-N -1 3 395.500 3.863 20 30 GHEDHM COC(=O)COc1ccc(/C=C2\C(=O)c3c(c(C)ccc3[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC001116737476 933729360 /nfs/dbraw/zinc/72/93/60/933729360.db2.gz VEOFNUAKWVKYNG-UGMNDJHYSA-N -1 3 397.383 3.544 20 30 GHEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000931623308 934648403 /nfs/dbraw/zinc/64/84/03/934648403.db2.gz YYTNZMQMWXGGMX-INIZCTEOSA-N -1 3 385.489 3.590 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1cccnc1)C1CCCC1 ZINC000828586097 935669904 /nfs/dbraw/zinc/66/99/04/935669904.db2.gz ZNRNPTDTACBBBE-NRFANRHFSA-N -1 3 392.503 3.521 20 30 GHEDHM C#CC1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)CCCC1 ZINC001573281493 946676799 /nfs/dbraw/zinc/67/67/99/946676799.db2.gz ZHEXMRTWKSZLML-UHFFFAOYSA-N -1 3 387.443 3.643 20 30 GHEDHM C#CC1(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)CCCC1 ZINC001573281493 946676805 /nfs/dbraw/zinc/67/68/05/946676805.db2.gz ZHEXMRTWKSZLML-UHFFFAOYSA-N -1 3 387.443 3.643 20 30 GHEDHM C#CCC1(NC(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001573284486 946747582 /nfs/dbraw/zinc/74/75/82/946747582.db2.gz DUBBPBLSZQPCKU-UHFFFAOYSA-N -1 3 396.495 3.892 20 30 GHEDHM C#CCC1(NC(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001573284486 946747587 /nfs/dbraw/zinc/74/75/87/946747587.db2.gz DUBBPBLSZQPCKU-UHFFFAOYSA-N -1 3 396.495 3.892 20 30 GHEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573293410 946955429 /nfs/dbraw/zinc/95/54/29/946955429.db2.gz VORHSSTUEASSHV-UHFFFAOYSA-N -1 3 377.448 3.987 20 30 GHEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573293410 946955441 /nfs/dbraw/zinc/95/54/41/946955441.db2.gz VORHSSTUEASSHV-UHFFFAOYSA-N -1 3 377.448 3.987 20 30 GHEDHM C=C(C)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2Br)c1 ZINC001573295160 947009655 /nfs/dbraw/zinc/00/96/55/947009655.db2.gz OIWIRRUCLMAQCU-UHFFFAOYSA-N -1 3 384.237 3.915 20 30 GHEDHM C=C(C)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2Br)c1 ZINC001573295160 947009661 /nfs/dbraw/zinc/00/96/61/947009661.db2.gz OIWIRRUCLMAQCU-UHFFFAOYSA-N -1 3 384.237 3.915 20 30 GHEDHM C=CCCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H](C)C1 ZINC001573334194 947448787 /nfs/dbraw/zinc/44/87/87/947448787.db2.gz ANVJUQXHNUANNE-INIZCTEOSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H](C)C1 ZINC001573334194 947448794 /nfs/dbraw/zinc/44/87/94/947448794.db2.gz ANVJUQXHNUANNE-INIZCTEOSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCOc1ccc(Br)cc1NCc1csc(-c2nnn[n-]2)c1 ZINC001573347747 947576972 /nfs/dbraw/zinc/57/69/72/947576972.db2.gz HAPYODIYJXNDIH-UHFFFAOYSA-N -1 3 392.282 3.868 20 30 GHEDHM C=C[C@H](C(=O)[O-])N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001588668832 983806551 /nfs/dbraw/zinc/80/65/51/983806551.db2.gz AKKXCZCMGMOBBR-HXUWFJFHSA-N -1 3 386.879 3.680 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227587039 1032474713 /nfs/dbraw/zinc/47/47/13/1032474713.db2.gz FFLZPDQBPJDOCV-HNNXBMFYSA-N -1 3 391.240 3.819 20 30 GHEDHM O=[N+]([O-])c1ccc2ncnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c2c1 ZINC001155908739 1032783191 /nfs/dbraw/zinc/78/31/91/1032783191.db2.gz AMAZFVNADVNRDS-UHFFFAOYSA-N -1 3 393.281 3.685 20 30 GHEDHM CC(C)(C)C(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000835060399 1021832659 /nfs/dbraw/zinc/83/26/59/1021832659.db2.gz ACOOJQRYPGXYTP-ZDUSSCGKSA-N -1 3 398.850 3.681 20 30 GHEDHM C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cccc([O-])c1Br)C2 ZINC001140550330 1021951395 /nfs/dbraw/zinc/95/13/95/1021951395.db2.gz QQYZIHCNIKEXMK-IEBWSBKVSA-N -1 3 396.325 3.728 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3cc(F)c([O-])c(F)c3)C2)CC1 ZINC001140988074 1023091686 /nfs/dbraw/zinc/09/16/86/1023091686.db2.gz MIUOWCXDYZJHBH-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM N#Cc1ccc(Cc2cnc(NC(=O)[N-]OCc3ccc(F)cc3)s2)cc1 ZINC000755489538 1023269138 /nfs/dbraw/zinc/26/91/38/1023269138.db2.gz ZGWXSBUVHQGCPK-UHFFFAOYSA-N -1 3 382.420 3.998 20 30 GHEDHM [O-]c1ccc(F)cc1C=NN1C(=S)N=NC1c1cccc(Br)c1 ZINC000755603638 1023309624 /nfs/dbraw/zinc/30/96/24/1023309624.db2.gz GLOQTNXJWAAJKD-UHFFFAOYSA-N -1 3 393.241 3.723 20 30 GHEDHM CCc1nc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cs1 ZINC000755683131 1023334902 /nfs/dbraw/zinc/33/49/02/1023334902.db2.gz ODZJUYRHLJJDOR-UHFFFAOYSA-N -1 3 386.502 3.952 20 30 GHEDHM COC(=O)c1ccc([N-][NH+]=C(C)c2ccc(N3CCCC3)cc2[O-])c(OC)c1 ZINC000756897931 1023851603 /nfs/dbraw/zinc/85/16/03/1023851603.db2.gz VNLDUQSKOCGRSO-UHFFFAOYSA-N -1 3 383.448 3.624 20 30 GHEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001228958983 1033200968 /nfs/dbraw/zinc/20/09/68/1033200968.db2.gz PWSFRDTWHKSWHX-AUUYWEPGSA-N -1 3 388.464 3.856 20 30 GHEDHM Cc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc(-c2ccccn2)n1 ZINC001163765219 1026307859 /nfs/dbraw/zinc/30/78/59/1026307859.db2.gz OTZBNCGGANDSOO-UHFFFAOYSA-N -1 3 389.337 3.994 20 30 GHEDHM CSc1ncc2c(ccnc2NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001163764902 1026308191 /nfs/dbraw/zinc/30/81/91/1026308191.db2.gz DTNGASLIHLQDIO-UHFFFAOYSA-N -1 3 395.366 3.893 20 30 GHEDHM CCCCCCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC001213189804 1028035609 /nfs/dbraw/zinc/03/56/09/1028035609.db2.gz ZJXBWAQEDWTDAI-UHFFFAOYSA-N -1 3 382.295 3.846 20 30 GHEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000179981981 1028845134 /nfs/dbraw/zinc/84/51/34/1028845134.db2.gz WQMCXXVKYOHINZ-CQSZACIVSA-N -1 3 378.215 3.748 20 30 GHEDHM Cc1nc2ccccc2c(C(=O)N2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1[O-] ZINC001149195613 1030086569 /nfs/dbraw/zinc/08/65/69/1030086569.db2.gz HQEOHEBBMXSRRF-SFHVURJKSA-N -1 3 387.439 3.804 20 30 GHEDHM CC1(C)CN(Cc2ccccc2)C[C@H](CO/C(=N\[O-])c2cc(F)ccc2F)O1 ZINC001223889226 1030793369 /nfs/dbraw/zinc/79/33/69/1030793369.db2.gz AHCQWFXXDIGARN-BJUXRVGASA-N -1 3 390.430 3.797 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3cc(Cl)cnc3[nH]2)c(C)c1[O-] ZINC001151303550 1030854029 /nfs/dbraw/zinc/85/40/29/1030854029.db2.gz XBQOEEVPZMCPLW-UHFFFAOYSA-N -1 3 398.806 3.531 20 30 GHEDHM CC(C)OCCOCCOCCOc1ccccc1/C=N/c1ccccc1[O-] ZINC001229938364 1033802847 /nfs/dbraw/zinc/80/28/47/1033802847.db2.gz VDMCDDDGCHCHGA-HAVVHWLPSA-N -1 3 387.476 3.980 20 30 GHEDHM C=C[C@@H]1O[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001229937992 1033802907 /nfs/dbraw/zinc/80/29/07/1033802907.db2.gz SHWNWHROTUHBDP-YGKMDVGPSA-N -1 3 381.428 3.953 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@H](Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1 ZINC001231050907 1034365182 /nfs/dbraw/zinc/36/51/82/1034365182.db2.gz VKYIGLCHEVPQLZ-ZDUSSCGKSA-N -1 3 388.258 3.790 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@H](Oc2nc3c(cc(Cl)nc3Cl)[n-]2)C1 ZINC001231050907 1034365194 /nfs/dbraw/zinc/36/51/94/1034365194.db2.gz VKYIGLCHEVPQLZ-ZDUSSCGKSA-N -1 3 388.258 3.790 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@H](Oc2nc3cc(Cl)nc(Cl)c3[n-]2)C1 ZINC001231050907 1034365201 /nfs/dbraw/zinc/36/52/01/1034365201.db2.gz VKYIGLCHEVPQLZ-ZDUSSCGKSA-N -1 3 388.258 3.790 20 30 GHEDHM CCOC(=O)n1nc2c(c1[N-]c1nc(Cl)cc(Cl)c1C#N)CNC2(C)C ZINC001159662204 1034707539 /nfs/dbraw/zinc/70/75/39/1034707539.db2.gz KDUJQKUILQNHQZ-UHFFFAOYSA-N -1 3 395.250 3.543 20 30 GHEDHM CCCCCCN([O-])C(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C ZINC001161826916 1035310046 /nfs/dbraw/zinc/31/00/46/1035310046.db2.gz PLOWLDYMUTUKFN-CQSZACIVSA-N -1 3 380.489 3.654 20 30 GHEDHM [O-]c1c(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cccc1C(F)(F)F ZINC001233415926 1039271650 /nfs/dbraw/zinc/27/16/50/1039271650.db2.gz OLUFSRTXGLPPLH-YPMHNXCESA-N -1 3 375.284 3.638 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001233800831 1039625520 /nfs/dbraw/zinc/62/55/20/1039625520.db2.gz SVHVSLXTAUGGJR-CNRHGSOZSA-N -1 3 378.469 3.918 20 30 GHEDHM CC[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cc(OC)c(OC)c(OC)c1 ZINC001234512218 1040089566 /nfs/dbraw/zinc/08/95/66/1040089566.db2.gz BNCNNVXWEFIPIE-HNNXBMFYSA-N -1 3 395.415 3.763 20 30 GHEDHM C=CCOC(=O)N1CCC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)CC1 ZINC001236793308 1041898563 /nfs/dbraw/zinc/89/85/63/1041898563.db2.gz KAQHTQCHCWOFTE-UHFFFAOYSA-N -1 3 385.291 3.919 20 30 GHEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cccc3c(C#N)cccc13)C(=O)C2 ZINC001258986569 1044919255 /nfs/dbraw/zinc/91/92/55/1044919255.db2.gz XSZAKDZVOBEEQL-QVKFZJNVSA-N -1 3 382.485 3.849 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)cc1C(F)(F)F ZINC001259235858 1045033101 /nfs/dbraw/zinc/03/31/01/1045033101.db2.gz QEQJYTGRQRIGSX-UHFFFAOYSA-N -1 3 375.759 3.567 20 30 GHEDHM CC(C)Oc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC001259408985 1045132401 /nfs/dbraw/zinc/13/24/01/1045132401.db2.gz SCWWSHRVYRSONM-UHFFFAOYSA-N -1 3 397.312 3.585 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)ccc1F ZINC001259417248 1045136846 /nfs/dbraw/zinc/13/68/46/1045136846.db2.gz DOJHPNPRXKVHBM-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCc1c(F)cc([O-])cc1F ZINC001307215728 1045356526 /nfs/dbraw/zinc/35/65/26/1045356526.db2.gz KZFFFGKDXPRSGU-UHFFFAOYSA-N -1 3 379.288 3.584 20 30 GHEDHM CCCCCC[C@](CC)([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCC ZINC001260049618 1045371292 /nfs/dbraw/zinc/37/12/92/1045371292.db2.gz PEJVTQNNOXUTJF-FQEVSTJZSA-N -1 3 394.537 3.660 20 30 GHEDHM O=S(=O)([N-]Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1C(F)(F)F ZINC001261011168 1045830272 /nfs/dbraw/zinc/83/02/72/1045830272.db2.gz IEIDHUHFCHCXFN-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM Cc1cc(N2C[C@@H](C(=O)N([O-])CCCCc3ccccc3)CC2=O)ccc1F ZINC001306896057 1048949757 /nfs/dbraw/zinc/94/97/57/1048949757.db2.gz IRLYZUSWRPCVNJ-SFHVURJKSA-N -1 3 384.451 3.728 20 30 GHEDHM N#Cc1cc(Br)cnc1NCc1ccc([O-])c(Br)c1 ZINC001307001371 1048999534 /nfs/dbraw/zinc/99/95/34/1048999534.db2.gz SRURTCWIDCTQBA-UHFFFAOYSA-N -1 3 383.043 3.796 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC001309102959 1050355431 /nfs/dbraw/zinc/35/54/31/1050355431.db2.gz LYFLSOFHTRAZIR-CQSZACIVSA-N -1 3 399.497 3.633 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(SC(C)(C)C)c2)cc1 ZINC001343462774 1053785819 /nfs/dbraw/zinc/78/58/19/1053785819.db2.gz KGMVVVKJBTZFJN-MRXNPFEDSA-N -1 3 383.473 3.942 20 30 GHEDHM C=CCC[C@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001343496451 1053812806 /nfs/dbraw/zinc/81/28/06/1053812806.db2.gz KTKVKNPCORHXSN-HNNXBMFYSA-N -1 3 396.520 3.794 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2cc(C([O-])=C(C#N)c3ccccn3)sc2C1 ZINC001343496425 1053814087 /nfs/dbraw/zinc/81/40/87/1053814087.db2.gz ZTRDQJCKOBQLIM-AWEZNQCLSA-N -1 3 383.473 3.926 20 30 GHEDHM CCn1ccnc1C(C#N)=C([O-])c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC001344875670 1054781141 /nfs/dbraw/zinc/78/11/41/1054781141.db2.gz WUJJDJMYLAMIKL-AWEZNQCLSA-N -1 3 396.472 3.842 20 30 GHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3ncc(C(N)=O)cc3Cl)c(C#N)c2[C@H]1C ZINC001344968622 1054830664 /nfs/dbraw/zinc/83/06/64/1054830664.db2.gz CDUBPSVPDJFTPU-BDAKNGLRSA-N -1 3 388.880 3.705 20 30 GHEDHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc(OCC#N)cc1 ZINC001320815121 1055972548 /nfs/dbraw/zinc/97/25/48/1055972548.db2.gz WHVYUZXYTCBJIC-UHFFFAOYSA-N -1 3 399.241 3.600 20 30 GHEDHM COc1ccc([C@@H](/N=C2/[N-]S(=O)(=O)c3ccccc32)c2ccc(F)cc2)cc1 ZINC001322537622 1056747688 /nfs/dbraw/zinc/74/76/88/1056747688.db2.gz WZTSQOVPVNKHPH-FQEVSTJZSA-N -1 3 396.443 3.662 20 30 GHEDHM C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Oc2cccnc2)cc1 ZINC001346865253 1061946305 /nfs/dbraw/zinc/94/63/05/1061946305.db2.gz BXFZIDSVLNUJBT-CQSZACIVSA-N -1 3 379.441 3.674 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC2CCCCC2)ccc1F ZINC001456334287 1062620067 /nfs/dbraw/zinc/62/00/67/1062620067.db2.gz LOWUMAALPPTTKB-HNNXBMFYSA-N -1 3 396.528 3.769 20 30 GHEDHM N#Cc1c2c(sc1[N-]C(=O)c1cc3c(cc1[N+](=O)[O-])OCCCO3)CCCC2 ZINC001352478162 1065070104 /nfs/dbraw/zinc/07/01/04/1065070104.db2.gz UYQFCWDZKSBMPB-UHFFFAOYSA-N -1 3 399.428 3.820 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccn(C(C)(C)C)n1 ZINC000847623460 1065774449 /nfs/dbraw/zinc/77/44/49/1065774449.db2.gz KSLGEFWEROWTLZ-GFCCVEGCSA-N -1 3 388.855 3.570 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cn(C(C)C)nc1C ZINC000847624086 1065777281 /nfs/dbraw/zinc/77/72/81/1065777281.db2.gz RJZAJBHNSMZHLM-ZDUSSCGKSA-N -1 3 388.855 3.704 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)nc(C2CC2)c1 ZINC000847624856 1065781328 /nfs/dbraw/zinc/78/13/28/1065781328.db2.gz YPBXXRSGCPNCJK-CQSZACIVSA-N -1 3 383.835 3.972 20 30 GHEDHM O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N[C@H]1CCCN([O-])C1=O ZINC001466397424 1066131799 /nfs/dbraw/zinc/13/17/99/1066131799.db2.gz WBPHPZXOQWFVNM-HNNXBMFYSA-N -1 3 395.246 3.557 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CSCc3ccc(Br)cc32)c1[O-] ZINC000849171763 1067751332 /nfs/dbraw/zinc/75/13/32/1067751332.db2.gz FSMTVLWIJBFOHE-RTKYFTIYSA-N -1 3 393.306 3.757 20 30 GHEDHM C#Cc1cccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC001469003582 1067949477 /nfs/dbraw/zinc/94/94/77/1067949477.db2.gz AGBVHUBVLWEDPZ-QHCPKHFHSA-N -1 3 398.462 3.551 20 30 GHEDHM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3coc4c3C(=O)NCCC4)sc2C1 ZINC001460472653 1068973540 /nfs/dbraw/zinc/97/35/40/1068973540.db2.gz MZLVZDRJRSVLNJ-GFCCVEGCSA-N -1 3 397.500 3.902 20 30 GHEDHM CCCCCCN([O-])C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 ZINC001472621387 1073580815 /nfs/dbraw/zinc/58/08/15/1073580815.db2.gz SBBWWODBHZFTAY-UHFFFAOYSA-N -1 3 377.485 3.787 20 30 GHEDHM Oc1cccc(C=NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1O ZINC000738401091 598825468 /nfs/dbraw/zinc/82/54/68/598825468.db2.gz OREOVXPSDDOIBP-JAIQZWGSSA-N -1 3 377.429 3.626 20 30 GHEDHM Brc1cccc2c1OCCCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000735369844 598860650 /nfs/dbraw/zinc/86/06/50/598860650.db2.gz YFUCHVDXEUENJN-UHFFFAOYSA-N -1 3 399.252 3.618 20 30 GHEDHM Brc1cccc2c1OCCCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000735369844 598860651 /nfs/dbraw/zinc/86/06/51/598860651.db2.gz YFUCHVDXEUENJN-UHFFFAOYSA-N -1 3 399.252 3.618 20 30 GHEDHM FC(F)(F)Sc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822718512 607252745 /nfs/dbraw/zinc/25/27/45/607252745.db2.gz KWBNOHDWZWGIBM-UHFFFAOYSA-N -1 3 378.383 3.602 20 30 GHEDHM FC(F)(F)Sc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822718512 607252746 /nfs/dbraw/zinc/25/27/46/607252746.db2.gz KWBNOHDWZWGIBM-UHFFFAOYSA-N -1 3 378.383 3.602 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCOc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737715546 598917859 /nfs/dbraw/zinc/91/78/59/598917859.db2.gz ARZWAJLAMROOMN-UHFFFAOYSA-N -1 3 398.426 3.689 20 30 GHEDHM N#Cc1ccc(NC(=O)CCCOc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737715546 598917861 /nfs/dbraw/zinc/91/78/61/598917861.db2.gz ARZWAJLAMROOMN-UHFFFAOYSA-N -1 3 398.426 3.689 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736192714 598919536 /nfs/dbraw/zinc/91/95/36/598919536.db2.gz LWPXJAUBLBGULM-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736192714 598919538 /nfs/dbraw/zinc/91/95/38/598919538.db2.gz LWPXJAUBLBGULM-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM CCCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000821134217 599115409 /nfs/dbraw/zinc/11/54/09/599115409.db2.gz OOSISFGUDURXIS-LFIBNONCSA-N -1 3 390.443 3.877 20 30 GHEDHM CCCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000821134217 599115412 /nfs/dbraw/zinc/11/54/12/599115412.db2.gz OOSISFGUDURXIS-LFIBNONCSA-N -1 3 390.443 3.877 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OCC(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737080600 599153374 /nfs/dbraw/zinc/15/33/74/599153374.db2.gz DKBCCQHRJZTBIH-ONNFQVAWSA-N -1 3 378.432 3.806 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OCC(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737080600 599153376 /nfs/dbraw/zinc/15/33/76/599153376.db2.gz DKBCCQHRJZTBIH-ONNFQVAWSA-N -1 3 378.432 3.806 20 30 GHEDHM COc1ccc(C=C2CCc3cc(SC)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000737081014 599155294 /nfs/dbraw/zinc/15/52/94/599155294.db2.gz AOWGHAYRIPINGV-ZROIWOOFSA-N -1 3 378.457 3.810 20 30 GHEDHM COc1ccc(C=C2CCc3cc(SC)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081014 599155298 /nfs/dbraw/zinc/15/52/98/599155298.db2.gz AOWGHAYRIPINGV-ZROIWOOFSA-N -1 3 378.457 3.810 20 30 GHEDHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735736666 599195733 /nfs/dbraw/zinc/19/57/33/599195733.db2.gz VBGILMLENHXDBZ-SFHVURJKSA-N -1 3 392.488 3.635 20 30 GHEDHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735736666 599195735 /nfs/dbraw/zinc/19/57/35/599195735.db2.gz VBGILMLENHXDBZ-SFHVURJKSA-N -1 3 392.488 3.635 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc3c(cccc3Cl)s2)cc1-c1nnn[n-]1 ZINC000737719051 599196199 /nfs/dbraw/zinc/19/61/99/599196199.db2.gz OOEPKHWGXXAMPY-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc3c(cccc3Cl)s2)cc1-c1nn[n-]n1 ZINC000737719051 599196200 /nfs/dbraw/zinc/19/62/00/599196200.db2.gz OOEPKHWGXXAMPY-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735501994 599199299 /nfs/dbraw/zinc/19/92/99/599199299.db2.gz AZODOGPZPKDTMN-LBPRGKRZSA-N -1 3 396.838 3.544 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737034658 598245155 /nfs/dbraw/zinc/24/51/55/598245155.db2.gz LGIOIEZWKWWJMR-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737034658 598245156 /nfs/dbraw/zinc/24/51/56/598245156.db2.gz LGIOIEZWKWWJMR-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735426836 598278787 /nfs/dbraw/zinc/27/87/87/598278787.db2.gz YOULZHUMFQNLTQ-UHFFFAOYSA-N -1 3 397.458 3.782 20 30 GHEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735426836 598278789 /nfs/dbraw/zinc/27/87/89/598278789.db2.gz YOULZHUMFQNLTQ-UHFFFAOYSA-N -1 3 397.458 3.782 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)Cc1ccccc1 ZINC000735420766 598533906 /nfs/dbraw/zinc/53/39/06/598533906.db2.gz TWCGGKRMHIPJBJ-HXUWFJFHSA-N -1 3 390.491 3.586 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC)Cc1ccccc1 ZINC000735420766 598533908 /nfs/dbraw/zinc/53/39/08/598533908.db2.gz TWCGGKRMHIPJBJ-HXUWFJFHSA-N -1 3 390.491 3.586 20 30 GHEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735647985 598535413 /nfs/dbraw/zinc/53/54/13/598535413.db2.gz JGETTYBGXHFBEA-QHSLDKKCSA-N -1 3 386.459 3.558 20 30 GHEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735647985 598535415 /nfs/dbraw/zinc/53/54/15/598535415.db2.gz JGETTYBGXHFBEA-QHSLDKKCSA-N -1 3 386.459 3.558 20 30 GHEDHM N#C[C@@H](C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccn1 ZINC000737673052 598728258 /nfs/dbraw/zinc/72/82/58/598728258.db2.gz MUIDRLDWYFLTND-GOSISDBHSA-N -1 3 382.383 3.544 20 30 GHEDHM C[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736151618 598735505 /nfs/dbraw/zinc/73/55/05/598735505.db2.gz QDCDBZSDYRQWLF-OAHLLOKOSA-N -1 3 391.431 3.592 20 30 GHEDHM C[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736151618 598735507 /nfs/dbraw/zinc/73/55/07/598735507.db2.gz QDCDBZSDYRQWLF-OAHLLOKOSA-N -1 3 391.431 3.592 20 30 GHEDHM N#CCCCCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000737687757 598754953 /nfs/dbraw/zinc/75/49/53/598754953.db2.gz LPYAYJNDSVADDI-UHFFFAOYSA-N -1 3 392.488 3.583 20 30 GHEDHM N#CCCCCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000737687757 598754955 /nfs/dbraw/zinc/75/49/55/598754955.db2.gz LPYAYJNDSVADDI-UHFFFAOYSA-N -1 3 392.488 3.583 20 30 GHEDHM CC(C)Sc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735921362 599462247 /nfs/dbraw/zinc/46/22/47/599462247.db2.gz QEDGQURBOVLHEC-RMKNXTFCSA-N -1 3 390.472 3.911 20 30 GHEDHM CC(C)Sc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735921362 599462250 /nfs/dbraw/zinc/46/22/50/599462250.db2.gz QEDGQURBOVLHEC-RMKNXTFCSA-N -1 3 390.472 3.911 20 30 GHEDHM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000739076045 600101077 /nfs/dbraw/zinc/10/10/77/600101077.db2.gz XTTICXJNIZVGNC-AWEZNQCLSA-N -1 3 383.354 3.939 20 30 GHEDHM Clc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826350532 607571248 /nfs/dbraw/zinc/57/12/48/607571248.db2.gz AGFWGQOOFPUWHM-UHFFFAOYSA-N -1 3 383.662 3.790 20 30 GHEDHM Clc1cc(Br)ccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826351022 607571388 /nfs/dbraw/zinc/57/13/88/607571388.db2.gz USRWDBFZCHKDOJ-UHFFFAOYSA-N -1 3 383.662 3.790 20 30 GHEDHM Clc1cc(Br)ccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826351022 607571390 /nfs/dbraw/zinc/57/13/90/607571390.db2.gz USRWDBFZCHKDOJ-UHFFFAOYSA-N -1 3 383.662 3.790 20 30 GHEDHM CC1=C(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCC1 ZINC000824852773 607616326 /nfs/dbraw/zinc/61/63/26/607616326.db2.gz RKSAETXNHLJTFG-HNNXBMFYSA-N -1 3 376.445 3.667 20 30 GHEDHM CC1=C(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCC1 ZINC000824852773 607616327 /nfs/dbraw/zinc/61/63/27/607616327.db2.gz RKSAETXNHLJTFG-HNNXBMFYSA-N -1 3 376.445 3.667 20 30 GHEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000833413456 605183059 /nfs/dbraw/zinc/18/30/59/605183059.db2.gz NCAUBAWTUIFFNL-GOSISDBHSA-N -1 3 385.851 3.592 20 30 GHEDHM CC(C)(C(=O)[O-])c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000833418936 605928196 /nfs/dbraw/zinc/92/81/96/605928196.db2.gz QBRSIVRZSBOFEI-UHFFFAOYSA-N -1 3 377.488 3.997 20 30 GHEDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820555084 606325290 /nfs/dbraw/zinc/32/52/90/606325290.db2.gz FXIWFUSCJJMWJM-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820555084 606325291 /nfs/dbraw/zinc/32/52/91/606325291.db2.gz FXIWFUSCJJMWJM-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000822837901 606552423 /nfs/dbraw/zinc/55/24/23/606552423.db2.gz XRVMHIFYFWMPEX-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822837901 606552425 /nfs/dbraw/zinc/55/24/25/606552425.db2.gz XRVMHIFYFWMPEX-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM CC[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000820841825 606613605 /nfs/dbraw/zinc/61/36/05/606613605.db2.gz FWTJRZNGAVTAIP-ZDUSSCGKSA-N -1 3 383.795 3.771 20 30 GHEDHM CC[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000820841825 606613607 /nfs/dbraw/zinc/61/36/07/606613607.db2.gz FWTJRZNGAVTAIP-ZDUSSCGKSA-N -1 3 383.795 3.771 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(-c2ccccc2)o1 ZINC000822934680 606778150 /nfs/dbraw/zinc/77/81/50/606778150.db2.gz BOJLLJZVNORBJM-FPLPWBNLSA-N -1 3 382.383 3.671 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(-c2ccccc2)o1 ZINC000822934680 606778151 /nfs/dbraw/zinc/77/81/51/606778151.db2.gz BOJLLJZVNORBJM-FPLPWBNLSA-N -1 3 382.383 3.671 20 30 GHEDHM CC(C)c1nc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c2ccccn21 ZINC000820203494 606819813 /nfs/dbraw/zinc/81/98/13/606819813.db2.gz UTLSTMRZYNURJB-QINSGFPZSA-N -1 3 384.443 3.850 20 30 GHEDHM C#CCCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819693482 606955242 /nfs/dbraw/zinc/95/52/42/606955242.db2.gz SIYXJPAEEQUALC-UHFFFAOYSA-N -1 3 377.473 3.551 20 30 GHEDHM C#CCCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819693482 606955244 /nfs/dbraw/zinc/95/52/44/606955244.db2.gz SIYXJPAEEQUALC-UHFFFAOYSA-N -1 3 377.473 3.551 20 30 GHEDHM N#Cc1ccc([C@H](O)COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000826385017 607878206 /nfs/dbraw/zinc/87/82/06/607878206.db2.gz UBYIKJJTKSIEMF-OAQYLSRUSA-N -1 3 399.410 3.643 20 30 GHEDHM N#Cc1ccc([C@H](O)COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000826385017 607878207 /nfs/dbraw/zinc/87/82/07/607878207.db2.gz UBYIKJJTKSIEMF-OAQYLSRUSA-N -1 3 399.410 3.643 20 30 GHEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000826176891 607915768 /nfs/dbraw/zinc/91/57/68/607915768.db2.gz IWCNMVMGQMIIKN-UTCJRWHESA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000826176891 607915769 /nfs/dbraw/zinc/91/57/69/607915769.db2.gz IWCNMVMGQMIIKN-UTCJRWHESA-N -1 3 390.321 3.512 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)OCC ZINC000823874794 607923962 /nfs/dbraw/zinc/92/39/62/607923962.db2.gz YYPVWKLDRKAXOE-HNNXBMFYSA-N -1 3 383.477 3.905 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)OCC ZINC000823874794 607923963 /nfs/dbraw/zinc/92/39/63/607923963.db2.gz YYPVWKLDRKAXOE-HNNXBMFYSA-N -1 3 383.477 3.905 20 30 GHEDHM C#CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccccc1 ZINC000823838986 607959786 /nfs/dbraw/zinc/95/97/86/607959786.db2.gz XSOOWKJQXBDYBS-HXUWFJFHSA-N -1 3 388.475 3.551 20 30 GHEDHM C#CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)c1ccccc1 ZINC000823838986 607959787 /nfs/dbraw/zinc/95/97/87/607959787.db2.gz XSOOWKJQXBDYBS-HXUWFJFHSA-N -1 3 388.475 3.551 20 30 GHEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)Cc2c1c(Br)ccc2F ZINC000826476034 607982990 /nfs/dbraw/zinc/98/29/90/607982990.db2.gz ZIAUFMOUCYHLDJ-YRNVUSSQSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)Cc2c1c(Br)ccc2F ZINC000826476034 607982991 /nfs/dbraw/zinc/98/29/91/607982991.db2.gz ZIAUFMOUCYHLDJ-YRNVUSSQSA-N -1 3 385.196 3.591 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958596 608094772 /nfs/dbraw/zinc/09/47/72/608094772.db2.gz RULHHILUYWOUDA-UHFFFAOYSA-N -1 3 382.371 3.705 20 30 GHEDHM C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824756838 608205909 /nfs/dbraw/zinc/20/59/09/608205909.db2.gz QETCGVFSJMOZNJ-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824756838 608205910 /nfs/dbraw/zinc/20/59/10/608205910.db2.gz QETCGVFSJMOZNJ-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM N#Cc1ccc2nc(NCCSCc3ccccc3-c3nnn[n-]3)ccc2c1 ZINC000826386397 608222507 /nfs/dbraw/zinc/22/25/07/608222507.db2.gz BYIKFUUCVUXTDE-UHFFFAOYSA-N -1 3 387.472 3.632 20 30 GHEDHM N#Cc1ccc2nc(NCCSCc3ccccc3-c3nn[n-]n3)ccc2c1 ZINC000826386397 608222509 /nfs/dbraw/zinc/22/25/09/608222509.db2.gz BYIKFUUCVUXTDE-UHFFFAOYSA-N -1 3 387.472 3.632 20 30 GHEDHM Fc1c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000826370289 608389042 /nfs/dbraw/zinc/38/90/42/608389042.db2.gz LWCPJQJCUDZYAE-UWVGGRQHSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000826370289 608389044 /nfs/dbraw/zinc/38/90/44/608389044.db2.gz LWCPJQJCUDZYAE-UWVGGRQHSA-N -1 3 397.298 3.569 20 30 GHEDHM CC(Cc1ccc(C(F)(F)F)cc1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824457447 608540179 /nfs/dbraw/zinc/54/01/79/608540179.db2.gz MVRMXJQTWNMRLM-UHFFFAOYSA-N -1 3 395.776 3.964 20 30 GHEDHM CC(Cc1ccc(C(F)(F)F)cc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824457447 608540180 /nfs/dbraw/zinc/54/01/80/608540180.db2.gz MVRMXJQTWNMRLM-UHFFFAOYSA-N -1 3 395.776 3.964 20 30 GHEDHM N#Cc1cc(Cl)ccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826383932 608556542 /nfs/dbraw/zinc/55/65/42/608556542.db2.gz YAUNHBQCOSQJEZ-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1cc(Cl)ccc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826383932 608556543 /nfs/dbraw/zinc/55/65/43/608556543.db2.gz YAUNHBQCOSQJEZ-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826181136 608876208 /nfs/dbraw/zinc/87/62/08/608876208.db2.gz MCAJRCWLVJSBRU-GQCTYLIASA-N -1 3 388.786 3.573 20 30 GHEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826181136 608876209 /nfs/dbraw/zinc/87/62/09/608876209.db2.gz MCAJRCWLVJSBRU-GQCTYLIASA-N -1 3 388.786 3.573 20 30 GHEDHM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399929 609134138 /nfs/dbraw/zinc/13/41/38/609134138.db2.gz KLCCQQCDLNBLFM-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399929 609134140 /nfs/dbraw/zinc/13/41/40/609134140.db2.gz KLCCQQCDLNBLFM-UTCJRWHESA-N -1 3 391.175 3.804 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(Cl)c1OC ZINC000826178594 609271691 /nfs/dbraw/zinc/27/16/91/609271691.db2.gz DPUMBKCCQFMFOW-UTCJRWHESA-N -1 3 388.786 3.573 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(Cl)c1OC ZINC000826178594 609271692 /nfs/dbraw/zinc/27/16/92/609271692.db2.gz DPUMBKCCQFMFOW-UTCJRWHESA-N -1 3 388.786 3.573 20 30 GHEDHM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400319 609274699 /nfs/dbraw/zinc/27/46/99/609274699.db2.gz VQZXMMXUVMPIRV-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400319 609274700 /nfs/dbraw/zinc/27/47/00/609274700.db2.gz VQZXMMXUVMPIRV-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826281335 609307812 /nfs/dbraw/zinc/30/78/12/609307812.db2.gz NDHBWBCAGHONEG-CMDGGOBGSA-N -1 3 376.445 3.533 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826281335 609307814 /nfs/dbraw/zinc/30/78/14/609307814.db2.gz NDHBWBCAGHONEG-CMDGGOBGSA-N -1 3 376.445 3.533 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824113745 609308443 /nfs/dbraw/zinc/30/84/43/609308443.db2.gz BIMIBNPAURCWOQ-KHPPLWFESA-N -1 3 376.416 3.718 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824113745 609308444 /nfs/dbraw/zinc/30/84/44/609308444.db2.gz BIMIBNPAURCWOQ-KHPPLWFESA-N -1 3 376.416 3.718 20 30 GHEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824390845 609468753 /nfs/dbraw/zinc/46/87/53/609468753.db2.gz DVRYTMWCQYAVMV-SNVBAGLBSA-N -1 3 393.879 3.611 20 30 GHEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824390845 609468756 /nfs/dbraw/zinc/46/87/56/609468756.db2.gz DVRYTMWCQYAVMV-SNVBAGLBSA-N -1 3 393.879 3.611 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000180626292 837413169 /nfs/dbraw/zinc/41/31/69/837413169.db2.gz UNOWEMCIVNDHKS-OAQYLSRUSA-N -1 3 377.488 3.844 20 30 GHEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000579877497 835849019 /nfs/dbraw/zinc/84/90/19/835849019.db2.gz MULWIXIUNKTNKQ-YGRLFVJLSA-N -1 3 391.718 3.853 20 30 GHEDHM N#C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCc2ccccc2C1 ZINC000588944722 835922189 /nfs/dbraw/zinc/92/21/89/835922189.db2.gz IAQMOIDGFQCOTA-KRWDZBQOSA-N -1 3 381.284 3.723 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2cccc(Br)c2)nc1)c1ccncn1 ZINC000545446497 838815136 /nfs/dbraw/zinc/81/51/36/838815136.db2.gz MMUPBESXSYVOPZ-HNNXBMFYSA-N -1 3 395.216 3.916 20 30 GHEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(F)(F)F ZINC000416602165 839482784 /nfs/dbraw/zinc/48/27/84/839482784.db2.gz SYZTUFKHRQPWEM-VIFPVBQESA-N -1 3 388.333 3.834 20 30 GHEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000167805347 839570100 /nfs/dbraw/zinc/57/01/00/839570100.db2.gz QSUFJHWJNRLQMM-GFCCVEGCSA-N -1 3 375.787 3.622 20 30 GHEDHM N#CC(=C([O-])c1cccc(COC2CCOCC2)c1)c1cnc2ccccc2n1 ZINC000580868443 840357279 /nfs/dbraw/zinc/35/72/79/840357279.db2.gz HUDFIHXJBSEMHR-IBGZPJMESA-N -1 3 387.439 3.815 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)cc1 ZINC000128550111 861195595 /nfs/dbraw/zinc/19/55/95/861195595.db2.gz MRJMFRXVRKTXCS-INIZCTEOSA-N -1 3 376.391 3.535 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC[C@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000730733324 861247440 /nfs/dbraw/zinc/24/74/40/861247440.db2.gz XEEZHYNYSPNFCM-FVOVHSBVSA-N -1 3 383.286 3.973 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(Cc3nc(C(C)C)cs3)nc(=O)c2c1C ZINC000176294776 844914333 /nfs/dbraw/zinc/91/43/33/844914333.db2.gz CHABRVQESJLDTB-UHFFFAOYSA-N -1 3 389.502 3.807 20 30 GHEDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000603977466 861528220 /nfs/dbraw/zinc/52/82/20/861528220.db2.gz XNMJOOCPOIHLKZ-UHFFFAOYSA-N -1 3 384.379 3.863 20 30 GHEDHM Cc1ccccc1C[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000513578401 845681887 /nfs/dbraw/zinc/68/18/87/845681887.db2.gz CPOQQQSLVIFSIP-IBGZPJMESA-N -1 3 377.488 3.750 20 30 GHEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)cc1 ZINC000115361217 845941275 /nfs/dbraw/zinc/94/12/75/845941275.db2.gz NWUHFIDLZXWGTE-UHFFFAOYSA-N -1 3 385.383 3.768 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000280037598 846271891 /nfs/dbraw/zinc/27/18/91/846271891.db2.gz RVAWKKVLSFEJSQ-SJLPKXTDSA-N -1 3 381.451 3.800 20 30 GHEDHM N#C[C@]1([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)CCc2ccccc2C1 ZINC000187756897 846982302 /nfs/dbraw/zinc/98/23/02/846982302.db2.gz HTPRXFZSNNYUGV-SFHVURJKSA-N -1 3 394.418 3.576 20 30 GHEDHM CC[C@H]1C[C@]1(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc(C)c1 ZINC000501654942 847076657 /nfs/dbraw/zinc/07/66/57/847076657.db2.gz DFZUIAWOCXCSFX-GAJHUEQPSA-N -1 3 377.488 3.958 20 30 GHEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1Cc1ccc(F)cc1F ZINC000588558464 848724231 /nfs/dbraw/zinc/72/42/31/848724231.db2.gz JQLMJPMQQBOHMY-XLIOOIBCSA-N -1 3 378.806 3.934 20 30 GHEDHM CCc1noc2ncc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 ZINC000171266343 861990749 /nfs/dbraw/zinc/99/07/49/861990749.db2.gz JBYWUCKSWWAHIL-GFCCVEGCSA-N -1 3 386.770 3.539 20 30 GHEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435443129 850533048 /nfs/dbraw/zinc/53/30/48/850533048.db2.gz OQCCWRIIIOHLRL-UHFFFAOYSA-N -1 3 377.199 3.622 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(CC#N)CC3)c2)cc1 ZINC000435944585 851031882 /nfs/dbraw/zinc/03/18/82/851031882.db2.gz DIDQVTHEPROIIL-UHFFFAOYSA-N -1 3 397.500 3.528 20 30 GHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000426751739 852357670 /nfs/dbraw/zinc/35/76/70/852357670.db2.gz XTOCWDNWPGSXOV-GOSISDBHSA-N -1 3 379.815 3.968 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)nc1-2 ZINC000429598705 852896468 /nfs/dbraw/zinc/89/64/68/852896468.db2.gz QMRRVVBPOHPJML-CYBMUJFWSA-N -1 3 377.404 3.962 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000126594177 852938759 /nfs/dbraw/zinc/93/87/59/852938759.db2.gz OORKPGVZLVYSOH-AWEZNQCLSA-N -1 3 391.355 3.871 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)c2ccccc21 ZINC000520279363 854022193 /nfs/dbraw/zinc/02/21/93/854022193.db2.gz YRRKFZGUXXBNSJ-LBPRGKRZSA-N -1 3 399.403 3.798 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=Cc1cnc(C)s1 ZINC000732900008 862596068 /nfs/dbraw/zinc/59/60/68/862596068.db2.gz FAUCBGSAKSJZTO-DSYXLKISSA-N -1 3 389.864 3.783 20 30 GHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000604890602 862605588 /nfs/dbraw/zinc/60/55/88/862605588.db2.gz SAASNAUKIQMGJQ-JTQLQIEISA-N -1 3 387.324 3.816 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000109162971 856249278 /nfs/dbraw/zinc/24/92/78/856249278.db2.gz FHPHOTWENYCNFI-UHFFFAOYSA-N -1 3 381.451 3.521 20 30 GHEDHM CCC[C@H]1CCc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)sc2C1 ZINC000109767429 856368406 /nfs/dbraw/zinc/36/84/06/856368406.db2.gz JGJMCBFNWSMUFM-AWEZNQCLSA-N -1 3 398.532 3.796 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccccc2)n1 ZINC000129028961 856691858 /nfs/dbraw/zinc/69/18/58/856691858.db2.gz LODKLRJMJYPPQJ-KRWDZBQOSA-N -1 3 388.427 3.541 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c(C)c1C ZINC000508086603 856883295 /nfs/dbraw/zinc/88/32/95/856883295.db2.gz TZGHLLUTOSYWSZ-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2csc3c2CCCC3)C1=O ZINC000906485940 857133895 /nfs/dbraw/zinc/13/38/95/857133895.db2.gz CEVIBMJXNUVAFB-FQEVSTJZSA-N -1 3 391.537 3.943 20 30 GHEDHM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 ZINC000129783123 857380673 /nfs/dbraw/zinc/38/06/73/857380673.db2.gz WKEOLGFVWLKEEF-SNVBAGLBSA-N -1 3 379.247 3.975 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159669876 862926741 /nfs/dbraw/zinc/92/67/41/862926741.db2.gz IDHYFPURAXAYJC-ZDUSSCGKSA-N -1 3 381.501 3.571 20 30 GHEDHM N#CCCCCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000594313302 858038013 /nfs/dbraw/zinc/03/80/13/858038013.db2.gz NAEHNMZQEFDPBB-UHFFFAOYSA-N -1 3 381.661 3.937 20 30 GHEDHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3cccc(C#N)c3)[n-]c(=O)c21 ZINC000442907991 858232478 /nfs/dbraw/zinc/23/24/78/858232478.db2.gz ZHMYOLYUIYTKCD-LLVKDONJSA-N -1 3 380.429 3.550 20 30 GHEDHM CCOc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000171960064 863024173 /nfs/dbraw/zinc/02/41/73/863024173.db2.gz RSPLXVRIPSBZEL-CYBMUJFWSA-N -1 3 378.215 3.748 20 30 GHEDHM O=C(NC1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000904180127 860187749 /nfs/dbraw/zinc/18/77/49/860187749.db2.gz HJKQRNMGCOGMTI-UHFFFAOYSA-N -1 3 385.291 3.796 20 30 GHEDHM Cc1nc(C#N)c(N2CCC(C(=O)N([O-])Cc3cccc4ccccc43)CC2)o1 ZINC000904172054 860201247 /nfs/dbraw/zinc/20/12/47/860201247.db2.gz XSPYTZWAKITSEP-UHFFFAOYSA-N -1 3 390.443 3.642 20 30 GHEDHM CCOc1cc(C=NNC(=S)NCc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000730561115 861159501 /nfs/dbraw/zinc/15/95/01/861159501.db2.gz DMKDSXDHHXSAKS-UHFFFAOYSA-N -1 3 381.860 3.582 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1[O-] ZINC000734366025 864178765 /nfs/dbraw/zinc/17/87/65/864178765.db2.gz BUCAKAORGCFUEX-HHHXNRCGSA-N -1 3 380.469 3.646 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC000737704626 865428003 /nfs/dbraw/zinc/42/80/03/865428003.db2.gz KKOVWNFGKUNUFP-VQTJNVASSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC000737704626 865428009 /nfs/dbraw/zinc/42/80/09/865428009.db2.gz KKOVWNFGKUNUFP-VQTJNVASSA-N -1 3 380.411 3.634 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000608875036 865779963 /nfs/dbraw/zinc/77/99/63/865779963.db2.gz XBLSXHAXPAOSHW-UHFFFAOYSA-N -1 3 396.466 3.976 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3nnc4ccccc4c3[O-])c2)s1 ZINC000739749514 865796662 /nfs/dbraw/zinc/79/66/62/865796662.db2.gz HOOBIMWFAPPEFR-UHFFFAOYSA-N -1 3 386.436 3.866 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)s1 ZINC000479151175 867243627 /nfs/dbraw/zinc/24/36/27/867243627.db2.gz OIWMDHUTPLBVGL-NOZJJQNGSA-N -1 3 377.329 3.570 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)s1 ZINC000479151177 867244556 /nfs/dbraw/zinc/24/45/56/867244556.db2.gz OIWMDHUTPLBVGL-TVQRCGJNSA-N -1 3 377.329 3.570 20 30 GHEDHM Cc1cccc2[nH]cc(C=Nn3c(=S)[n-]nc3[C@H]3COc4ccccc4O3)c21 ZINC000920365539 882066472 /nfs/dbraw/zinc/06/64/72/882066472.db2.gz CZAFVKYUSBODPC-QGZVFWFLSA-N -1 3 391.456 3.751 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(CNC(=O)OC(C)(C)C)o3)nc21 ZINC000744162319 868618606 /nfs/dbraw/zinc/61/86/06/868618606.db2.gz YXPRCFQJPUDWNE-CQSZACIVSA-N -1 3 394.431 3.979 20 30 GHEDHM CCc1cccc(CC)c1Nc1nc(Cl)c(C=NN2CC(=O)[N-]C2=O)s1 ZINC000744809902 869079320 /nfs/dbraw/zinc/07/93/20/869079320.db2.gz CTLOZXPNLKNWDF-UHFFFAOYSA-N -1 3 391.884 3.551 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)OC)cc2)cc(Cl)c1[O-] ZINC000745020816 869239343 /nfs/dbraw/zinc/23/93/43/869239343.db2.gz RZTMWNWPSFSIKS-RUDMXATFSA-N -1 3 390.819 3.892 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1cccnc1 ZINC000102969134 870870857 /nfs/dbraw/zinc/87/08/57/870870857.db2.gz WUOIFJNFGSDDSM-QFIPXVFZSA-N -1 3 387.439 3.524 20 30 GHEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000443363267 871584225 /nfs/dbraw/zinc/58/42/25/871584225.db2.gz VDFOANZLMSQTML-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)c1F ZINC001194372542 871644388 /nfs/dbraw/zinc/64/43/88/871644388.db2.gz YMXXVSHSKUTEPZ-UHFFFAOYSA-N -1 3 395.774 3.544 20 30 GHEDHM CN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(C#N)c1 ZINC000182231383 872071393 /nfs/dbraw/zinc/07/13/93/872071393.db2.gz AALUXNZGRVUXCJ-JOCHJYFZSA-N -1 3 399.450 3.788 20 30 GHEDHM C=CCC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCCC1 ZINC000619113113 872335280 /nfs/dbraw/zinc/33/52/80/872335280.db2.gz CSVFYQSWXBDUAM-UHFFFAOYSA-N -1 3 391.468 3.573 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(F)c(OCc2ccccc2)c1 ZINC001196838306 873395328 /nfs/dbraw/zinc/39/53/28/873395328.db2.gz DPSJFDVKPCTCGF-UHFFFAOYSA-N -1 3 379.391 3.844 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(OC(C)(C)C)n1 ZINC000768549086 873407523 /nfs/dbraw/zinc/40/75/23/873407523.db2.gz KXTNAWHZOIBINX-UHFFFAOYSA-N -1 3 383.448 3.524 20 30 GHEDHM CC(C)(C)c1cc(NC([O-])=NO[C@H]2CCCCO2)n(-c2ccc(C#N)cc2)n1 ZINC000794382717 882740853 /nfs/dbraw/zinc/74/08/53/882740853.db2.gz OASCHFNQADWUOE-SFHVURJKSA-N -1 3 383.452 3.621 20 30 GHEDHM CCn1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c2ccccc21 ZINC000769806703 874298965 /nfs/dbraw/zinc/29/89/65/874298965.db2.gz ATQNOBLLQMOLQV-UHFFFAOYSA-N -1 3 377.452 3.708 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cccc(-c3cccnc3)c1)[n-]c2=O ZINC000769810228 874301583 /nfs/dbraw/zinc/30/15/83/874301583.db2.gz NEEOVRHWSNRLCG-UHFFFAOYSA-N -1 3 387.447 3.795 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)c3ccccc3n2)c(C)c1[O-] ZINC001198603334 874512314 /nfs/dbraw/zinc/51/23/14/874512314.db2.gz AYCKRDVYHVOVPC-UHFFFAOYSA-N -1 3 389.411 3.858 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775929069 874787714 /nfs/dbraw/zinc/78/77/14/874787714.db2.gz IPOPLLYRSINFKD-LBPRGKRZSA-N -1 3 379.865 3.867 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000776273471 876136601 /nfs/dbraw/zinc/13/66/01/876136601.db2.gz GRHVQPDEURDIFT-UHFFFAOYSA-N -1 3 388.379 3.852 20 30 GHEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C#N)C2CCCCC2)ccc1F ZINC000776371683 876339725 /nfs/dbraw/zinc/33/97/25/876339725.db2.gz ATJIHELXDHFVLY-INIZCTEOSA-N -1 3 396.484 3.532 20 30 GHEDHM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3cc4sccc4c([O-])c3)C2=O)cc1 ZINC000786130146 876498606 /nfs/dbraw/zinc/49/86/06/876498606.db2.gz BAHZYRLBTXPSEE-GOSISDBHSA-N -1 3 392.436 3.831 20 30 GHEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786133092 876499906 /nfs/dbraw/zinc/49/99/06/876499906.db2.gz KKCQXNDBGDAPST-UHFFFAOYSA-N -1 3 386.816 3.927 20 30 GHEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787849051 877669876 /nfs/dbraw/zinc/66/98/76/877669876.db2.gz UGWAMLIMPQNKPY-UHFFFAOYSA-N -1 3 390.798 3.561 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1-c1ccccc1 ZINC000130244311 879432316 /nfs/dbraw/zinc/43/23/16/879432316.db2.gz VLGDJNYDNNWYIN-HNNXBMFYSA-N -1 3 396.809 3.934 20 30 GHEDHM C=C(C)CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000452727717 879927191 /nfs/dbraw/zinc/92/71/91/879927191.db2.gz ZSVRHALQAPTLKY-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM N#CC(=C([O-])c1c[nH]nc1-c1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000184291847 880268916 /nfs/dbraw/zinc/26/89/16/880268916.db2.gz IPOPTMXYDTWYGQ-CQSZACIVSA-N -1 3 380.839 3.538 20 30 GHEDHM O=S(=O)(c1ccccc1)N1CCC(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000747033755 880614266 /nfs/dbraw/zinc/61/42/66/880614266.db2.gz VZLHTXBIYBLTAN-KGENOOAVSA-N -1 3 392.908 3.565 20 30 GHEDHM CCc1cc2c(CN3CCO[C@H](c4cccc(C#N)c4)C3)cc(=O)oc2cc1[O-] ZINC000761760922 884093736 /nfs/dbraw/zinc/09/37/36/884093736.db2.gz ABAXGJAEGGSRIQ-QFIPXVFZSA-N -1 3 390.439 3.506 20 30 GHEDHM C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000193166007 884536128 /nfs/dbraw/zinc/53/61/28/884536128.db2.gz XYRAHLOIVUHRSD-UHFFFAOYSA-N -1 3 388.464 3.749 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nc(C)cs1 ZINC000104760053 885605323 /nfs/dbraw/zinc/60/53/23/885605323.db2.gz AYRMSJUSSQYDFW-LBPRGKRZSA-N -1 3 389.424 3.772 20 30 GHEDHM N#CC(=C([O-])c1cc[n+]([O-])cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000915103261 885770008 /nfs/dbraw/zinc/77/00/08/885770008.db2.gz RKBUILRAJVSQJD-WRQGHLQJSA-N -1 3 379.485 3.734 20 30 GHEDHM [O-]c1c(O)ccc(C=Nc2ccc(I)cc2Cl)c1O ZINC000915112812 885795645 /nfs/dbraw/zinc/79/56/45/885795645.db2.gz HBFBTEPKYJRRRF-UHFFFAOYSA-N -1 3 389.576 3.812 20 30 GHEDHM COCCCOc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001184234732 913093199 /nfs/dbraw/zinc/09/31/99/913093199.db2.gz CDEGOEWUQZRAFY-UHFFFAOYSA-N -1 3 385.247 3.835 20 30 GHEDHM CCOc1cc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c(F)cc1OC ZINC000863186828 886909882 /nfs/dbraw/zinc/90/98/82/886909882.db2.gz NJBNSSZEUKXCOC-VOTSOKGWSA-N -1 3 376.380 3.852 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc(OC)c(OCC(F)F)c(OC)c2)ccc1[O-] ZINC000809153493 887149980 /nfs/dbraw/zinc/14/99/80/887149980.db2.gz VXEONWHHDMVYSI-XQRVVYSFSA-N -1 3 394.370 3.958 20 30 GHEDHM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001184293440 913142957 /nfs/dbraw/zinc/14/29/57/913142957.db2.gz SRSXEOQDTDIWFR-NRFANRHFSA-N -1 3 380.488 3.727 20 30 GHEDHM CCOc1c(OC)cc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1OC ZINC000763107636 887670065 /nfs/dbraw/zinc/67/00/65/887670065.db2.gz VAKFOGQRPKXGCN-FPLPWBNLSA-N -1 3 388.416 3.721 20 30 GHEDHM C=C(Cl)C[C@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000864519748 887823339 /nfs/dbraw/zinc/82/33/39/887823339.db2.gz YFPRIHAEPKVYQY-NSHDSACASA-N -1 3 384.604 3.736 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000120105517 887844884 /nfs/dbraw/zinc/84/48/84/887844884.db2.gz ZGEIGPUAYRFILM-HNNXBMFYSA-N -1 3 380.297 3.814 20 30 GHEDHM CSc1[n-]c(=O)c(C(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1C#N ZINC001131903599 887893577 /nfs/dbraw/zinc/89/35/77/887893577.db2.gz KJCYLAVIVHQWGX-UHFFFAOYSA-N -1 3 394.243 3.816 20 30 GHEDHM CCOc1ccc(NC(=S)NN=Cc2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000915925895 888559968 /nfs/dbraw/zinc/55/99/68/888559968.db2.gz BVLVXIKQMKHMLQ-UHFFFAOYSA-N -1 3 379.869 3.773 20 30 GHEDHM C#Cc1cccc([N-]S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)c1 ZINC000794866447 888561015 /nfs/dbraw/zinc/56/10/15/888561015.db2.gz OFMLJOOVBXJPSW-UHFFFAOYSA-N -1 3 390.258 3.606 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(OCc3ccccc3)cc2)c1[O-] ZINC000915982052 888597122 /nfs/dbraw/zinc/59/71/22/888597122.db2.gz NNRRCGSGKCIDPZ-OYKKKHCWSA-N -1 3 376.456 3.829 20 30 GHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(C)c(Br)s1 ZINC000794903836 888778766 /nfs/dbraw/zinc/77/87/66/888778766.db2.gz QGEMDNSFTMWXDV-UHFFFAOYSA-N -1 3 387.324 3.663 20 30 GHEDHM CCOc1cc(C=NN2C(=S)N=NC2C(C)(C)C)cc(Br)c1[O-] ZINC000916308289 888911034 /nfs/dbraw/zinc/91/10/34/888911034.db2.gz CSSGELLRGQXJRH-UHFFFAOYSA-N -1 3 399.314 3.613 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccc2ncccc2c1 ZINC000916321364 888922318 /nfs/dbraw/zinc/92/23/18/888922318.db2.gz WSVKDQOUGYTQTK-GOSISDBHSA-N -1 3 389.440 3.510 20 30 GHEDHM COc1ccccc1C=CC=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916320623 888922447 /nfs/dbraw/zinc/92/24/47/888922447.db2.gz DFMABRFBYDSGIE-QUKHNMJPSA-N -1 3 394.456 3.635 20 30 GHEDHM C=CC(C)(C)CNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868670751 889548816 /nfs/dbraw/zinc/54/88/16/889548816.db2.gz RNJHXQQIDCBXHZ-ZDUSSCGKSA-N -1 3 383.414 3.581 20 30 GHEDHM C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cccc(OC)c1 ZINC000124217666 889550770 /nfs/dbraw/zinc/55/07/70/889550770.db2.gz IUBDTQIWYIXAPO-ZDUSSCGKSA-N -1 3 383.477 3.797 20 30 GHEDHM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000870136985 890225729 /nfs/dbraw/zinc/22/57/29/890225729.db2.gz UIZQLDITAYLGCB-BXUZGUMPSA-N -1 3 389.864 3.570 20 30 GHEDHM C[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)nc2C1 ZINC000870142108 890230271 /nfs/dbraw/zinc/23/02/71/890230271.db2.gz GKLIRMFRUOSSNC-CMPLNLGQSA-N -1 3 391.258 3.733 20 30 GHEDHM N#CC(=C([O-])C=Cc1ccsc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000870162565 890237135 /nfs/dbraw/zinc/23/71/35/890237135.db2.gz JPTCCFSJIMQQAH-FJOGCWAESA-N -1 3 380.395 3.974 20 30 GHEDHM COC(=O)c1ccc(C=CC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)o1 ZINC000870454013 890361513 /nfs/dbraw/zinc/36/15/13/890361513.db2.gz DBVDJSSUYPFNBK-IQCBXXCUSA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1ccc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)o1 ZINC000870454013 890361530 /nfs/dbraw/zinc/36/15/30/890361530.db2.gz DBVDJSSUYPFNBK-IQCBXXCUSA-N -1 3 383.425 3.611 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1[O-] ZINC000812417716 890612011 /nfs/dbraw/zinc/61/20/11/890612011.db2.gz OLYBJXPKHJFMRK-UHFFFAOYSA-N -1 3 391.475 3.714 20 30 GHEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(C#N)cc(N(C)C)c3)nc(=O)c2c1C ZINC000814571622 892889549 /nfs/dbraw/zinc/88/95/49/892889549.db2.gz UDUNKOYKBCGEED-LLVKDONJSA-N -1 3 396.472 3.869 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(N(C)c4ccccc4)nc3)nc1-2 ZINC000498001358 892913529 /nfs/dbraw/zinc/91/35/29/892913529.db2.gz HFRNQGLUCYWDSF-QGZVFWFLSA-N -1 3 382.427 3.919 20 30 GHEDHM CC(C)(C)OC(=O)NC(=CNNc1ccccc1C(=O)[O-])CC(F)(F)F ZINC000814768622 893153356 /nfs/dbraw/zinc/15/33/56/893153356.db2.gz FSRHIHRQNBTIBY-JTQLQIEISA-N -1 3 375.347 3.628 20 30 GHEDHM N#Cc1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)cnc1C(F)(F)F ZINC000815586707 894026160 /nfs/dbraw/zinc/02/61/60/894026160.db2.gz PCCVXGCJGGORIJ-UHFFFAOYSA-N -1 3 393.325 3.882 20 30 GHEDHM CC(=O)[C@](C#N)(CCN1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000878206677 894090499 /nfs/dbraw/zinc/09/04/99/894090499.db2.gz DCBMCTHXYDZNPI-XMMPIXPASA-N -1 3 390.483 3.728 20 30 GHEDHM CC#CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000760292450 894690578 /nfs/dbraw/zinc/69/05/78/894690578.db2.gz RYYCWWGMPWDVID-UHFFFAOYSA-N -1 3 375.421 3.505 20 30 GHEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccccc1 ZINC000564340743 894876357 /nfs/dbraw/zinc/87/63/57/894876357.db2.gz XJNKRTBSGORELS-MRXNPFEDSA-N -1 3 377.462 3.669 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(Cl)c1OC ZINC000826178905 895789408 /nfs/dbraw/zinc/78/94/08/895789408.db2.gz QHIIMEGTWHJZHF-UTCJRWHESA-N -1 3 388.786 3.573 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc(Cl)c1OC ZINC000826178905 895789421 /nfs/dbraw/zinc/78/94/21/895789421.db2.gz QHIIMEGTWHJZHF-UTCJRWHESA-N -1 3 388.786 3.573 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000289037619 914009184 /nfs/dbraw/zinc/00/91/84/914009184.db2.gz LRKCEYGHJXGJSC-UHFFFAOYSA-N -1 3 396.878 3.633 20 30 GHEDHM C=CCCc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1 ZINC000882704217 896918059 /nfs/dbraw/zinc/91/80/59/896918059.db2.gz UZAXUELUNDICRG-DEOSSOPVSA-N -1 3 377.531 3.793 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cccc3cnccc23)ccc1-c1nnn[n-]1 ZINC000826368130 898164236 /nfs/dbraw/zinc/16/42/36/898164236.db2.gz CSNIDOQGHAAVOH-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cccc3cnccc23)ccc1-c1nn[n-]n1 ZINC000826368130 898164246 /nfs/dbraw/zinc/16/42/46/898164246.db2.gz CSNIDOQGHAAVOH-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(NC2CCCC2)c1 ZINC000109897173 898620445 /nfs/dbraw/zinc/62/04/45/898620445.db2.gz OYYXOZNPCQGIPG-UHFFFAOYSA-N -1 3 378.476 3.789 20 30 GHEDHM N#Cc1c(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)nc2ccccn12 ZINC000826383860 899018449 /nfs/dbraw/zinc/01/84/49/899018449.db2.gz UYGPPJKNBBLWHT-UHFFFAOYSA-N -1 3 398.455 3.727 20 30 GHEDHM C#CCCCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823841059 899273990 /nfs/dbraw/zinc/27/39/90/899273990.db2.gz IGNIOFYKPMMSBV-MRXNPFEDSA-N -1 3 388.475 3.697 20 30 GHEDHM C#CCCCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823841059 899274004 /nfs/dbraw/zinc/27/40/04/899274004.db2.gz IGNIOFYKPMMSBV-MRXNPFEDSA-N -1 3 388.475 3.697 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824058847 899364813 /nfs/dbraw/zinc/36/48/13/899364813.db2.gz FNJPPZZQUWBJLF-UHFFFAOYSA-N -1 3 376.420 3.707 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000117731372 899390832 /nfs/dbraw/zinc/39/08/32/899390832.db2.gz BKGWQDZCOJKLID-GFCCVEGCSA-N -1 3 392.286 3.980 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1csc(C(F)(F)F)c1 ZINC000600682595 902817905 /nfs/dbraw/zinc/81/79/05/902817905.db2.gz MTBIVUOXRFWHSK-UHFFFAOYSA-N -1 3 383.395 3.605 20 30 GHEDHM COc1cccc(-c2noc([C@@H](C)[N-]C(=O)C(F)(F)c3ccccc3C#N)n2)c1 ZINC001148588794 904129032 /nfs/dbraw/zinc/12/90/32/904129032.db2.gz KSGYGDUPCFACHW-GFCCVEGCSA-N -1 3 398.369 3.586 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(F)c(F)c(C)c2F)c(C)c1[O-] ZINC001148730700 904177109 /nfs/dbraw/zinc/17/71/09/904177109.db2.gz NSCBJHRTLJWBTR-UHFFFAOYSA-N -1 3 392.333 3.727 20 30 GHEDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000192927169 908020286 /nfs/dbraw/zinc/02/02/86/908020286.db2.gz OJXVDBUQZOBTNZ-OAHLLOKOSA-N -1 3 385.272 3.531 20 30 GHEDHM CCCCCCCC[C@@H](C)CC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001178039533 908881421 /nfs/dbraw/zinc/88/14/21/908881421.db2.gz XKADZVJTVGKYPR-QGZVFWFLSA-N -1 3 376.545 3.916 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(Oc3ccccc3)cn2)cc1 ZINC000773768303 909213122 /nfs/dbraw/zinc/21/31/22/909213122.db2.gz FNPBFNJLHHBNDH-SFHVURJKSA-N -1 3 386.411 3.792 20 30 GHEDHM COc1ccc2c(c1)CCCCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000270838890 910714635 /nfs/dbraw/zinc/71/46/35/910714635.db2.gz NCTWFIYKUWFIHJ-UHFFFAOYSA-N -1 3 379.460 3.586 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1nc(Cl)cnc1Br ZINC001187993172 915670390 /nfs/dbraw/zinc/67/03/90/915670390.db2.gz LSEZTNULLTUJHL-UHFFFAOYSA-N -1 3 384.727 3.995 20 30 GHEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1nc(Cl)ccc1C(F)(F)F ZINC001188756104 916184154 /nfs/dbraw/zinc/18/41/54/916184154.db2.gz OUJZYZAVLZAFLR-UHFFFAOYSA-N -1 3 377.713 3.821 20 30 GHEDHM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncc(Br)[n-]c2=O)c1 ZINC001189278305 916505438 /nfs/dbraw/zinc/50/54/38/916505438.db2.gz QNKPFJUEYRQAHW-UHFFFAOYSA-N -1 3 391.269 3.622 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1F ZINC001190187990 917150768 /nfs/dbraw/zinc/15/07/68/917150768.db2.gz AAHRYBXFQANWNI-OAHLLOKOSA-N -1 3 383.231 3.657 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)c1 ZINC001190682221 917511285 /nfs/dbraw/zinc/51/12/85/917511285.db2.gz WAXGZDLUANGXRC-UHFFFAOYSA-N -1 3 378.475 3.888 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1 ZINC001190971743 917674315 /nfs/dbraw/zinc/67/43/15/917674315.db2.gz QVZGURBILTVORS-UHFFFAOYSA-N -1 3 375.881 3.608 20 30 GHEDHM N#Cc1ccc(C(=O)[N-]c2nonc2-c2nc3ccccc3[nH]2)c(C(F)(F)F)c1 ZINC001192077020 918373847 /nfs/dbraw/zinc/37/38/47/918373847.db2.gz CPOYDMGTWSJVJN-UHFFFAOYSA-N -1 3 398.304 3.756 20 30 GHEDHM O=C(Nc1ccccc1)N1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000800790063 920465821 /nfs/dbraw/zinc/46/58/21/920465821.db2.gz AYLRYDCZJKYOJC-IWEBCOIVSA-N -1 3 388.265 3.880 20 30 GHEDHM O=C(CCCNC(=O)c1ccsc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379798 921056938 /nfs/dbraw/zinc/05/69/38/921056938.db2.gz OSFXSBPFUZLQLH-UHFFFAOYSA-N -1 3 387.288 3.983 20 30 GHEDHM O=C(N[C@@H](Cc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901379438 921057095 /nfs/dbraw/zinc/05/70/95/921057095.db2.gz ZDVATXKLSOKUAR-NRFANRHFSA-N -1 3 392.430 3.585 20 30 GHEDHM O=C(CCN1C(=O)COc2ccccc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379669 921057342 /nfs/dbraw/zinc/05/73/42/921057342.db2.gz BIBMKPNTKPZTST-UHFFFAOYSA-N -1 3 395.242 3.527 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379953 921057514 /nfs/dbraw/zinc/05/75/14/921057514.db2.gz JFQRGZDUJACMGY-CYBMUJFWSA-N -1 3 379.243 3.764 20 30 GHEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(SC)ccc2[O-])ccc1OC ZINC000827668931 925917605 /nfs/dbraw/zinc/91/76/05/925917605.db2.gz QZPKIQZFBMMXFL-CQSZACIVSA-N -1 3 386.473 3.734 20 30 GHEDHM C=CCn1c(COc2ccccc2)nnc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412996737 928088086 /nfs/dbraw/zinc/08/80/86/928088086.db2.gz GTBPEBGXOSUAHR-UHFFFAOYSA-N -1 3 395.488 3.708 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc(Cl)c2)C1=O ZINC000757361076 929700197 /nfs/dbraw/zinc/70/01/97/929700197.db2.gz AIOKGMRBPSGESX-SFHVURJKSA-N -1 3 383.851 3.795 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cnc(-c3ccccc3)nc2)no1 ZINC000546380317 930105410 /nfs/dbraw/zinc/10/54/10/930105410.db2.gz NFDIQZQSBWMBAA-UHFFFAOYSA-N -1 3 398.426 3.568 20 30 GHEDHM C=CCn1c(SCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)n[n-]c1=O ZINC000470834089 930954000 /nfs/dbraw/zinc/95/40/00/930954000.db2.gz ATDXSUALAMWAOS-UHFFFAOYSA-N -1 3 389.912 3.977 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1sccc1Cl ZINC000782152495 931103348 /nfs/dbraw/zinc/10/33/48/931103348.db2.gz QXWQTVBGAASEMJ-LBPRGKRZSA-N -1 3 378.866 3.676 20 30 GHEDHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471089093 931142428 /nfs/dbraw/zinc/14/24/28/931142428.db2.gz OLDDELZKJILSFI-PRHODGIISA-N -1 3 390.274 3.569 20 30 GHEDHM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796744110 932050674 /nfs/dbraw/zinc/05/06/74/932050674.db2.gz DAMMVSGOQJRYMW-HOCLYGCPSA-N -1 3 383.473 3.615 20 30 GHEDHM COC(=O)COc1ccc(/C=C2\C(=O)c3c(c(C)ccc3[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC001116737475 933728361 /nfs/dbraw/zinc/72/83/61/933728361.db2.gz VEOFNUAKWVKYNG-QENILXLESA-N -1 3 397.383 3.544 20 30 GHEDHM C#CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CCC)CCC ZINC001573282176 946685636 /nfs/dbraw/zinc/68/56/36/946685636.db2.gz GSPATYSXFLFPLO-UHFFFAOYSA-N -1 3 392.511 3.555 20 30 GHEDHM C#CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CCC)CCC ZINC001573282176 946685644 /nfs/dbraw/zinc/68/56/44/946685644.db2.gz GSPATYSXFLFPLO-UHFFFAOYSA-N -1 3 392.511 3.555 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001573295725 947024902 /nfs/dbraw/zinc/02/49/02/947024902.db2.gz SZTOLPRPPASPDH-LPHOPBHVSA-N -1 3 391.431 3.579 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001573295725 947024912 /nfs/dbraw/zinc/02/49/12/947024912.db2.gz SZTOLPRPPASPDH-LPHOPBHVSA-N -1 3 391.431 3.579 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001573335176 947475593 /nfs/dbraw/zinc/47/55/93/947475593.db2.gz NLLRAEWXWVKMFG-CVEARBPZSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001573335176 947475598 /nfs/dbraw/zinc/47/55/98/947475598.db2.gz NLLRAEWXWVKMFG-CVEARBPZSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCc1ccc(S(=O)(=O)Oc2cc(C)c(-c3nnn[n-]3)c(C)c2C)cc1 ZINC001573341362 947530890 /nfs/dbraw/zinc/53/08/90/947530890.db2.gz MAOXCOZNYGCTRB-UHFFFAOYSA-N -1 3 398.488 3.678 20 30 GHEDHM C=CCCc1ccc(S(=O)(=O)Oc2cc(C)c(-c3nn[n-]n3)c(C)c2C)cc1 ZINC001573341362 947530902 /nfs/dbraw/zinc/53/09/02/947530902.db2.gz MAOXCOZNYGCTRB-UHFFFAOYSA-N -1 3 398.488 3.678 20 30 GHEDHM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000756901635 978701554 /nfs/dbraw/zinc/70/15/54/978701554.db2.gz UFUKHNVPTBUBEG-UHFFFAOYSA-N -1 3 397.475 3.921 20 30 GHEDHM COc1ccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])cc1OCCCC#N ZINC001599560752 998188843 /nfs/dbraw/zinc/18/88/43/998188843.db2.gz RRRPPFFPAKSYTH-OAQYLSRUSA-N -1 3 380.444 3.562 20 30 GHEDHM Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154560246 1032182803 /nfs/dbraw/zinc/18/28/03/1032182803.db2.gz YFAQMXONGHPGRZ-UHFFFAOYSA-N -1 3 386.238 3.945 20 30 GHEDHM N#CC1([N-]C(=O)C(F)(F)c2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC000778112594 1018578191 /nfs/dbraw/zinc/57/81/91/1018578191.db2.gz IFAHWEJNIUHLCZ-UHFFFAOYSA-N -1 3 387.405 3.592 20 30 GHEDHM [O-]N=C(Nc1nc(C2CC2)nc2[nH]ccc21)c1ccc(OC(F)(F)F)cc1 ZINC001155914778 1032790859 /nfs/dbraw/zinc/79/08/59/1032790859.db2.gz XYTSRXWGCBJAJP-UHFFFAOYSA-N -1 3 377.326 3.982 20 30 GHEDHM CCCc1c([O-])ccc(C(C)=O)c1OC1CCN(c2ncccc2C#N)CC1 ZINC001228134426 1032802241 /nfs/dbraw/zinc/80/22/41/1032802241.db2.gz QGDLMKGNSIBJNL-UHFFFAOYSA-N -1 3 379.460 3.862 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3cnsc32)c(C)c1[O-] ZINC001156667419 1033169127 /nfs/dbraw/zinc/16/91/27/1033169127.db2.gz FXJISTVFRUZXLT-UHFFFAOYSA-N -1 3 381.413 3.611 20 30 GHEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 ZINC001141380572 1024789166 /nfs/dbraw/zinc/78/91/66/1024789166.db2.gz UZCUDAIRKJUSBD-CYBMUJFWSA-N -1 3 399.205 3.645 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccc(C#N)c(Cl)c2)s1 ZINC001139021182 1025783312 /nfs/dbraw/zinc/78/33/12/1025783312.db2.gz MXJHVCFAHMMFKP-UHFFFAOYSA-N -1 3 392.868 3.945 20 30 GHEDHM Cc1nsc([N-]C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)c1C#N ZINC000839349619 1025833689 /nfs/dbraw/zinc/83/36/89/1025833689.db2.gz WGBXKKICYLWGKS-UHFFFAOYSA-N -1 3 379.467 3.687 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)c([O-])cc1F ZINC001219068320 1031239050 /nfs/dbraw/zinc/23/90/50/1031239050.db2.gz PDGHWRMXLLAVIC-IBGZPJMESA-N -1 3 375.403 3.578 20 30 GHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cn2cc(Br)sc2n1 ZINC001154128197 1031942171 /nfs/dbraw/zinc/94/21/71/1031942171.db2.gz ILVLBCVBDQZSDZ-UHFFFAOYSA-N -1 3 383.177 3.560 20 30 GHEDHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(C)n1-c1ccc(C#N)cc1 ZINC001157105353 1033416515 /nfs/dbraw/zinc/41/65/15/1033416515.db2.gz FOVUNMFTKFMIQK-UHFFFAOYSA-N -1 3 391.431 3.506 20 30 GHEDHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(C)n1-c1ccc(C#N)cc1 ZINC001157105353 1033416523 /nfs/dbraw/zinc/41/65/23/1033416523.db2.gz FOVUNMFTKFMIQK-UHFFFAOYSA-N -1 3 391.431 3.506 20 30 GHEDHM N=C(NC(F)(F)c1cc(Cl)nc(=S)[n-]1)c1ccc2cc(O)ccc2c1 ZINC001160025820 1034835144 /nfs/dbraw/zinc/83/51/44/1034835144.db2.gz DZUPTGSOXMTBBW-UHFFFAOYSA-N -1 3 380.807 3.732 20 30 GHEDHM O=C(c1cnn2c1nccc2-c1cccnc1)N([O-])CCCCc1ccccc1 ZINC001161818462 1035307833 /nfs/dbraw/zinc/30/78/33/1035307833.db2.gz AWDFEWNLFPUAKH-UHFFFAOYSA-N -1 3 387.443 3.646 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001233804473 1039628903 /nfs/dbraw/zinc/62/89/03/1039628903.db2.gz ZVXVVFJCSJIXLB-FVQHGLJWSA-N -1 3 376.453 3.670 20 30 GHEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277834754 1039882833 /nfs/dbraw/zinc/88/28/33/1039882833.db2.gz UILDTKXFPUEHID-FQEVSTJZSA-N -1 3 378.900 3.587 20 30 GHEDHM CCOC(=O)C(F)(F)[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234513476 1040092040 /nfs/dbraw/zinc/09/20/40/1040092040.db2.gz LVGZPGGGFWKLFF-INIZCTEOSA-N -1 3 399.353 3.526 20 30 GHEDHM N#Cc1ccc2nc(=O)[n-]c(O[C@H]3CCN(Cc4ccccc4Cl)C3)c2c1 ZINC001234530283 1040103508 /nfs/dbraw/zinc/10/35/08/1040103508.db2.gz JWICFSJSQLUTEC-HNNXBMFYSA-N -1 3 380.835 3.514 20 30 GHEDHM C#CC[C@@H](C)Oc1cc(OC)c(OC)c2oc(-c3ccccc3[O-])cc(=O)c12 ZINC001234783926 1040313912 /nfs/dbraw/zinc/31/39/12/1040313912.db2.gz KYCXYJDFQTUYOR-CYBMUJFWSA-N -1 3 380.396 3.973 20 30 GHEDHM Cc1cc(Br)c([O-])c(CN2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001236670185 1041818191 /nfs/dbraw/zinc/81/81/91/1041818191.db2.gz WEHAFAPHBXOMAW-UHFFFAOYSA-N -1 3 386.293 3.657 20 30 GHEDHM C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)C1 ZINC001237808735 1042380069 /nfs/dbraw/zinc/38/00/69/1042380069.db2.gz WDASJSNBIRAANN-LJQANCHMSA-N -1 3 382.863 3.795 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCC(F)(F)CC3)cc2)c1 ZINC001259124925 1044971001 /nfs/dbraw/zinc/97/10/01/1044971001.db2.gz AQZOKWCTOUTIQB-UHFFFAOYSA-N -1 3 377.416 3.595 20 30 GHEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC001259675839 1045264874 /nfs/dbraw/zinc/26/48/74/1045264874.db2.gz MZCLWTQZHNHREN-INIZCTEOSA-N -1 3 397.500 3.733 20 30 GHEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2ccn3cc(-c4ccccc4)nc3c2)cc1 ZINC001260038849 1045368493 /nfs/dbraw/zinc/36/84/93/1045368493.db2.gz BQWOXIKOHRGMJO-UHFFFAOYSA-N -1 3 388.452 3.815 20 30 GHEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001260271937 1045436566 /nfs/dbraw/zinc/43/65/66/1045436566.db2.gz GKPJXEWRNBTLOA-XQRVVYSFSA-N -1 3 395.708 3.672 20 30 GHEDHM N#Cc1coc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1 ZINC001260947928 1045782847 /nfs/dbraw/zinc/78/28/47/1045782847.db2.gz ISGPGLBWYNQERQ-UHFFFAOYSA-N -1 3 398.284 3.667 20 30 GHEDHM C=C(C)Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@@H](C#N)C1 ZINC001263280223 1046674332 /nfs/dbraw/zinc/67/43/32/1046674332.db2.gz DIMNKPRMQIWNOY-HNNXBMFYSA-N -1 3 385.899 3.738 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)[C@H]2C[C@H]21 ZINC001306895969 1048949811 /nfs/dbraw/zinc/94/98/11/1048949811.db2.gz DHPFFVZXVMSNBD-ZSYWTGECSA-N -1 3 388.508 3.776 20 30 GHEDHM CCCCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001309318359 1050587941 /nfs/dbraw/zinc/58/79/41/1050587941.db2.gz HBWLJGSSEUXDOK-UHFFFAOYSA-N -1 3 393.303 3.996 20 30 GHEDHM C[C@]1([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)CCOc2ccccc21 ZINC001309889565 1051025022 /nfs/dbraw/zinc/02/50/22/1051025022.db2.gz YDVZGQDMRNAWIA-IBGZPJMESA-N -1 3 384.482 3.749 20 30 GHEDHM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCCO2)c1nc(N)c2ccccc2n1 ZINC001343273886 1053668883 /nfs/dbraw/zinc/66/88/83/1053668883.db2.gz TWWJEWAYJYYPCS-ZDUSSCGKSA-N -1 3 394.818 3.517 20 30 GHEDHM O=C(c1ccccc1)N1CCC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC001318166259 1054465585 /nfs/dbraw/zinc/46/55/85/1054465585.db2.gz LLDUUDFILGMQCX-WCEBZYJUSA-N -1 3 387.277 3.878 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccc(CC)cc3)o2)ccc1F ZINC001322100750 1056518177 /nfs/dbraw/zinc/51/81/77/1056518177.db2.gz OQZVTOCKVBCHBE-UHFFFAOYSA-N -1 3 387.436 3.569 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(CCOC)CC1 ZINC001355838622 1057289751 /nfs/dbraw/zinc/28/97/51/1057289751.db2.gz YSICQRNMXVPQHN-UHFFFAOYSA-N -1 3 399.520 3.699 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC001339067449 1058946065 /nfs/dbraw/zinc/94/60/65/1058946065.db2.gz BKXDJIPKUKLQCJ-CRAIPNDOSA-N -1 3 390.491 3.565 20 30 GHEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC001342197776 1061125418 /nfs/dbraw/zinc/12/54/18/1061125418.db2.gz LJBYCMDGRNKZTO-AWEZNQCLSA-N -1 3 394.460 3.776 20 30 GHEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1 ZINC001346240307 1061471159 /nfs/dbraw/zinc/47/11/59/1061471159.db2.gz SUDYWUZLUUXCLL-GFCCVEGCSA-N -1 3 379.247 3.870 20 30 GHEDHM C=CCC1(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC001454923794 1061957549 /nfs/dbraw/zinc/95/75/49/1061957549.db2.gz QGPBMVPTRQKVIV-CQSZACIVSA-N -1 3 380.410 3.932 20 30 GHEDHM C=CCCN(OCc1ccccc1)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC001457770724 1063354412 /nfs/dbraw/zinc/35/44/12/1063354412.db2.gz CDISJTXOJTTZNI-UHFFFAOYSA-N -1 3 378.428 3.687 20 30 GHEDHM Cc1cnn(-c2c(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)c(C)nn2C)c1 ZINC001457991595 1063492058 /nfs/dbraw/zinc/49/20/58/1063492058.db2.gz AAEVSNVJZSNEOG-UHFFFAOYSA-N -1 3 394.262 3.561 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)CCOCC1 ZINC001464031441 1064779607 /nfs/dbraw/zinc/77/96/07/1064779607.db2.gz AKODYNKBURQSFB-UHFFFAOYSA-N -1 3 378.519 3.522 20 30 GHEDHM CCCCCCCCc1nnc([N-]C(=O)c2ccc(C(=O)OC)cn2)s1 ZINC001464388167 1064982805 /nfs/dbraw/zinc/98/28/05/1064982805.db2.gz MYAAODWTJNTEFV-UHFFFAOYSA-N -1 3 376.482 3.875 20 30 GHEDHM Cc1ccc(Sc2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cc2)c(C)c1 ZINC001465099087 1065392049 /nfs/dbraw/zinc/39/20/49/1065392049.db2.gz SYJKHVSSXBDVTI-QGZVFWFLSA-N -1 3 385.489 3.956 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2scc3c2OCCO3)cc1 ZINC000847624100 1065776917 /nfs/dbraw/zinc/77/69/17/1065776917.db2.gz RSPAZZYCJHOTNO-OAHLLOKOSA-N -1 3 384.457 3.823 20 30 GHEDHM Cn1cc([C@@H]2[C@@H](C/N=C/c3cc(Cl)ccc3[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000849170547 1067751523 /nfs/dbraw/zinc/75/15/23/1067751523.db2.gz MVXQUIGFPZZMAP-XZZIASGDSA-N -1 3 388.899 3.586 20 30 GHEDHM Cc1ccc2[n-]cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c(=O)c2c1 ZINC001472482318 1073505454 /nfs/dbraw/zinc/50/54/54/1073505454.db2.gz SZODZSQQUSADCJ-UHFFFAOYSA-N -1 3 379.419 3.884 20 30 GHEDHM CCOC(=O)N1CCC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001472616124 1073577494 /nfs/dbraw/zinc/57/74/94/1073577494.db2.gz MHMFNQXRRANAJS-GFCCVEGCSA-N -1 3 375.252 3.580 20 30 GHEDHM N#Cc1ccc(Cn2cc([N-]c3ncc([N+](=O)[O-])cc3C(F)(F)F)cn2)cc1 ZINC001472860268 1073699098 /nfs/dbraw/zinc/69/90/98/1073699098.db2.gz XUMJSYSYKUJCIJ-UHFFFAOYSA-N -1 3 388.309 3.869 20 30 GHEDHM Fc1cc(-c2cccs2)ccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822736604 607252666 /nfs/dbraw/zinc/25/26/66/607252666.db2.gz IFBFWEIDVRXBMS-UHFFFAOYSA-N -1 3 378.436 3.858 20 30 GHEDHM Fc1cc(-c2cccs2)ccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822736604 607252667 /nfs/dbraw/zinc/25/26/67/607252667.db2.gz IFBFWEIDVRXBMS-UHFFFAOYSA-N -1 3 378.436 3.858 20 30 GHEDHM CCCCN(CC)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736456287 598920870 /nfs/dbraw/zinc/92/08/70/598920870.db2.gz FSNVBIFYPUVZLX-UHFFFAOYSA-N -1 3 389.463 3.617 20 30 GHEDHM CCCCN(CC)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736456287 598920873 /nfs/dbraw/zinc/92/08/73/598920873.db2.gz FSNVBIFYPUVZLX-UHFFFAOYSA-N -1 3 389.463 3.617 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2ccc(C)nc21 ZINC000735418128 599034067 /nfs/dbraw/zinc/03/40/67/599034067.db2.gz BITBRGVDMLWTEP-UHFFFAOYSA-N -1 3 384.443 3.552 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2ccc(C)nc21 ZINC000735418128 599034069 /nfs/dbraw/zinc/03/40/69/599034069.db2.gz BITBRGVDMLWTEP-UHFFFAOYSA-N -1 3 384.443 3.552 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000823504542 599115007 /nfs/dbraw/zinc/11/50/07/599115007.db2.gz RGHIIQROPUDKEJ-QPEQYQDCSA-N -1 3 394.818 3.504 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000823504542 599115009 /nfs/dbraw/zinc/11/50/09/599115009.db2.gz RGHIIQROPUDKEJ-QPEQYQDCSA-N -1 3 394.818 3.504 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CCc1cccc(F)c1 ZINC000819743283 599145494 /nfs/dbraw/zinc/14/54/94/599145494.db2.gz GIQYIPSMDQVQKM-MRXNPFEDSA-N -1 3 393.466 3.789 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CCc1cccc(F)c1 ZINC000819743283 599145497 /nfs/dbraw/zinc/14/54/97/599145497.db2.gz GIQYIPSMDQVQKM-MRXNPFEDSA-N -1 3 393.466 3.789 20 30 GHEDHM C=CCOCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819759556 599149682 /nfs/dbraw/zinc/14/96/82/599149682.db2.gz ZVUHVQRHHOYNST-UHFFFAOYSA-N -1 3 379.420 3.580 20 30 GHEDHM C=CCOCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819759556 599149685 /nfs/dbraw/zinc/14/96/85/599149685.db2.gz ZVUHVQRHHOYNST-UHFFFAOYSA-N -1 3 379.420 3.580 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737119800 599156329 /nfs/dbraw/zinc/15/63/29/599156329.db2.gz GRXAIWPSGOSMLR-DAXSKMNVSA-N -1 3 390.399 3.835 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737119800 599156331 /nfs/dbraw/zinc/15/63/31/599156331.db2.gz GRXAIWPSGOSMLR-DAXSKMNVSA-N -1 3 390.399 3.835 20 30 GHEDHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735737152 599195722 /nfs/dbraw/zinc/19/57/22/599195722.db2.gz ZOCOXQVQBQXMQC-SFHVURJKSA-N -1 3 392.488 3.635 20 30 GHEDHM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735737152 599195723 /nfs/dbraw/zinc/19/57/23/599195723.db2.gz ZOCOXQVQBQXMQC-SFHVURJKSA-N -1 3 392.488 3.635 20 30 GHEDHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737316955 599199628 /nfs/dbraw/zinc/19/96/28/599199628.db2.gz IONUSDNJLVIRKJ-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737316955 599199630 /nfs/dbraw/zinc/19/96/30/599199630.db2.gz IONUSDNJLVIRKJ-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM C[C@@H](C#N)COC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819856680 607323276 /nfs/dbraw/zinc/32/32/76/607323276.db2.gz KKAUIVLGPOXVLR-NSHDSACASA-N -1 3 383.795 3.629 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000737031432 598245016 /nfs/dbraw/zinc/24/50/16/598245016.db2.gz CSFASCVTGOWGIW-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000737031432 598245017 /nfs/dbraw/zinc/24/50/17/598245017.db2.gz CSFASCVTGOWGIW-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)C1CCCCC1 ZINC000735421411 598302994 /nfs/dbraw/zinc/30/29/94/598302994.db2.gz YSPYORBXSIQKIJ-IBGZPJMESA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)C1CCCCC1 ZINC000735421411 598302996 /nfs/dbraw/zinc/30/29/96/598302996.db2.gz YSPYORBXSIQKIJ-IBGZPJMESA-N -1 3 382.512 3.923 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cccc3cccnc23)ccc1-c1nnn[n-]1 ZINC000737632187 598314707 /nfs/dbraw/zinc/31/47/07/598314707.db2.gz KXPLKLDCMUJCSF-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cccc3cccnc23)ccc1-c1nn[n-]n1 ZINC000737632187 598314710 /nfs/dbraw/zinc/31/47/10/598314710.db2.gz KXPLKLDCMUJCSF-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737632133 598314857 /nfs/dbraw/zinc/31/48/57/598314857.db2.gz KMMYQPWIUWLJCQ-UHFFFAOYSA-N -1 3 398.352 3.517 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737632133 598314858 /nfs/dbraw/zinc/31/48/58/598314858.db2.gz KMMYQPWIUWLJCQ-UHFFFAOYSA-N -1 3 398.352 3.517 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000735450876 598315588 /nfs/dbraw/zinc/31/55/88/598315588.db2.gz HUTZZEUZFNMSAW-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000735450876 598315591 /nfs/dbraw/zinc/31/55/91/598315591.db2.gz HUTZZEUZFNMSAW-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201349 598376960 /nfs/dbraw/zinc/37/69/60/598376960.db2.gz CWDMIYYOJMPMAN-RMKNXTFCSA-N -1 3 387.365 3.838 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201349 598376961 /nfs/dbraw/zinc/37/69/61/598376961.db2.gz CWDMIYYOJMPMAN-RMKNXTFCSA-N -1 3 387.365 3.838 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000737674229 598536788 /nfs/dbraw/zinc/53/67/88/598536788.db2.gz GZDVUYVDZJHMAS-XVJNWHFHSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000737674229 598536790 /nfs/dbraw/zinc/53/67/90/598536790.db2.gz GZDVUYVDZJHMAS-XVJNWHFHSA-N -1 3 399.241 3.568 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1cccnc1 ZINC000737798596 598546956 /nfs/dbraw/zinc/54/69/56/598546956.db2.gz MSMUBVWTHUDAGT-ZHACJKMWSA-N -1 3 383.411 3.737 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cccnc1 ZINC000737798596 598546958 /nfs/dbraw/zinc/54/69/58/598546958.db2.gz MSMUBVWTHUDAGT-ZHACJKMWSA-N -1 3 383.411 3.737 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735977958 598554507 /nfs/dbraw/zinc/55/45/07/598554507.db2.gz YIWSRDAYXXZRLZ-VNDWYCCKSA-N -1 3 390.472 3.913 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735977958 598554510 /nfs/dbraw/zinc/55/45/10/598554510.db2.gz YIWSRDAYXXZRLZ-VNDWYCCKSA-N -1 3 390.472 3.913 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391325 598608793 /nfs/dbraw/zinc/60/87/93/598608793.db2.gz PPJXHLOPNLKEBC-UHFFFAOYSA-N -1 3 393.450 3.624 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391325 598608795 /nfs/dbraw/zinc/60/87/95/598608795.db2.gz PPJXHLOPNLKEBC-UHFFFAOYSA-N -1 3 393.450 3.624 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc(Br)ccc1F ZINC000822923838 607462132 /nfs/dbraw/zinc/46/21/32/607462132.db2.gz VTSRDMYPIWDGDB-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc(Br)ccc1F ZINC000822923838 607462134 /nfs/dbraw/zinc/46/21/34/607462134.db2.gz VTSRDMYPIWDGDB-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Br)c1 ZINC000822923384 607458960 /nfs/dbraw/zinc/45/89/60/607458960.db2.gz QRMVXOZGBYTCCR-XQRVVYSFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Br)c1 ZINC000822923384 607458961 /nfs/dbraw/zinc/45/89/61/607458961.db2.gz QRMVXOZGBYTCCR-XQRVVYSFSA-N -1 3 391.175 3.804 20 30 GHEDHM N#Cc1cccc([C@@H](NCc2cccc(COCc3ccco3)c2)C(=O)[O-])c1 ZINC000833075552 601301536 /nfs/dbraw/zinc/30/15/36/601301536.db2.gz MAVYCRUZYJVIAD-OAQYLSRUSA-N -1 3 376.412 3.784 20 30 GHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000827716700 601302980 /nfs/dbraw/zinc/30/29/80/601302980.db2.gz AJOZPTLIKLWMBM-PXAZEXFGSA-N -1 3 378.350 3.976 20 30 GHEDHM CCOc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000830044712 601311475 /nfs/dbraw/zinc/31/14/75/601311475.db2.gz QEFPOETXPALWCI-SFHVURJKSA-N -1 3 390.386 3.816 20 30 GHEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000739301518 602670358 /nfs/dbraw/zinc/67/03/58/602670358.db2.gz GBYLKPVEOWESRI-ZJUUUORDSA-N -1 3 385.367 3.928 20 30 GHEDHM C=CCN(Cc1nc(C(F)(F)F)cs1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914325 607738570 /nfs/dbraw/zinc/73/85/70/607738570.db2.gz FYXAXVWRCYVPHU-UHFFFAOYSA-N -1 3 380.399 3.530 20 30 GHEDHM C=CCN(Cc1nc(C(F)(F)F)cs1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914325 607738571 /nfs/dbraw/zinc/73/85/71/607738571.db2.gz FYXAXVWRCYVPHU-UHFFFAOYSA-N -1 3 380.399 3.530 20 30 GHEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820017285 606204744 /nfs/dbraw/zinc/20/47/44/606204744.db2.gz UWXKXFTYYRFDQE-INIZCTEOSA-N -1 3 379.445 3.723 20 30 GHEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820017285 606204745 /nfs/dbraw/zinc/20/47/45/606204745.db2.gz UWXKXFTYYRFDQE-INIZCTEOSA-N -1 3 379.445 3.723 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823504259 606306842 /nfs/dbraw/zinc/30/68/42/606306842.db2.gz NVODEGOPQSVESQ-XFSBKJJWSA-N -1 3 391.225 3.652 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823504259 606306844 /nfs/dbraw/zinc/30/68/44/606306844.db2.gz NVODEGOPQSVESQ-XFSBKJJWSA-N -1 3 391.225 3.652 20 30 GHEDHM N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822842536 606507184 /nfs/dbraw/zinc/50/71/84/606507184.db2.gz NAENGGMZZQTUFA-UHFFFAOYSA-N -1 3 394.438 3.514 20 30 GHEDHM N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822842536 606507186 /nfs/dbraw/zinc/50/71/86/606507186.db2.gz NAENGGMZZQTUFA-UHFFFAOYSA-N -1 3 394.438 3.514 20 30 GHEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820218766 606657920 /nfs/dbraw/zinc/65/79/20/606657920.db2.gz AIPZLYXSOPCZFD-GFCCVEGCSA-N -1 3 395.398 3.564 20 30 GHEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820218766 606657921 /nfs/dbraw/zinc/65/79/21/606657921.db2.gz AIPZLYXSOPCZFD-GFCCVEGCSA-N -1 3 395.398 3.564 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000819743418 606674055 /nfs/dbraw/zinc/67/40/55/606674055.db2.gz JBRGQCJBAAQNEC-UHFFFAOYSA-N -1 3 397.429 3.682 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000819743418 606674056 /nfs/dbraw/zinc/67/40/56/606674056.db2.gz JBRGQCJBAAQNEC-UHFFFAOYSA-N -1 3 397.429 3.682 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)c(Cl)cc1F ZINC000823915390 608119527 /nfs/dbraw/zinc/11/95/27/608119527.db2.gz WUEZFRIUVUJWAZ-UHFFFAOYSA-N -1 3 389.793 3.627 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)c(Cl)cc1F ZINC000823915390 608119528 /nfs/dbraw/zinc/11/95/28/608119528.db2.gz WUEZFRIUVUJWAZ-UHFFFAOYSA-N -1 3 389.793 3.627 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Oc2ccccc2)nn1 ZINC000823914462 608253076 /nfs/dbraw/zinc/25/30/76/608253076.db2.gz JGQJKBJJZCGVNG-UHFFFAOYSA-N -1 3 399.458 3.637 20 30 GHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475808 608288629 /nfs/dbraw/zinc/28/86/29/608288629.db2.gz RGLLHJNRKWLDQQ-POHAHGRESA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475808 608288631 /nfs/dbraw/zinc/28/86/31/608288631.db2.gz RGLLHJNRKWLDQQ-POHAHGRESA-N -1 3 385.196 3.591 20 30 GHEDHM CC(C)c1cccc2c1OCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824352784 608535679 /nfs/dbraw/zinc/53/56/79/608535679.db2.gz NMBBHQQSQHORGN-UHFFFAOYSA-N -1 3 383.843 3.637 20 30 GHEDHM CC(C)c1cccc2c1OCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824352784 608535680 /nfs/dbraw/zinc/53/56/80/608535680.db2.gz NMBBHQQSQHORGN-UHFFFAOYSA-N -1 3 383.843 3.637 20 30 GHEDHM N#Cc1ccc(OC2CCC(Nc3cc(Cl)ccc3-c3nnn[n-]3)CC2)nc1 ZINC000826386295 608557301 /nfs/dbraw/zinc/55/73/01/608557301.db2.gz XXIWPABXRQJBHC-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1ccc(OC2CCC(Nc3cc(Cl)ccc3-c3nn[n-]n3)CC2)nc1 ZINC000826386295 608557303 /nfs/dbraw/zinc/55/73/03/608557303.db2.gz XXIWPABXRQJBHC-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1 ZINC000826233949 608876823 /nfs/dbraw/zinc/87/68/23/608876823.db2.gz BAAGNRIFBHNRDD-YCRREMRBSA-N -1 3 392.369 3.535 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1 ZINC000826233949 608876826 /nfs/dbraw/zinc/87/68/26/608876826.db2.gz BAAGNRIFBHNRDD-YCRREMRBSA-N -1 3 392.369 3.535 20 30 GHEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1)CCC3 ZINC000826475720 608881247 /nfs/dbraw/zinc/88/12/47/608881247.db2.gz OHUWXGNZGCCBNH-NVNXTCNLSA-N -1 3 376.391 3.543 20 30 GHEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1)CCC3 ZINC000826475720 608881250 /nfs/dbraw/zinc/88/12/50/608881250.db2.gz OHUWXGNZGCCBNH-NVNXTCNLSA-N -1 3 376.391 3.543 20 30 GHEDHM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379268 609237167 /nfs/dbraw/zinc/23/71/67/609237167.db2.gz FKRQVZJTFSGNDQ-UHFFFAOYSA-N -1 3 392.850 3.742 20 30 GHEDHM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379268 609237169 /nfs/dbraw/zinc/23/71/69/609237169.db2.gz FKRQVZJTFSGNDQ-UHFFFAOYSA-N -1 3 392.850 3.742 20 30 GHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958677 609277287 /nfs/dbraw/zinc/27/72/87/609277287.db2.gz UYCNOZCNUBGZHZ-UHFFFAOYSA-N -1 3 389.316 3.732 20 30 GHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958677 609277288 /nfs/dbraw/zinc/27/72/88/609277288.db2.gz UYCNOZCNUBGZHZ-UHFFFAOYSA-N -1 3 389.316 3.732 20 30 GHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000538690777 609301809 /nfs/dbraw/zinc/30/18/09/609301809.db2.gz MYFPNPFJCNEZHZ-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000538690777 609301810 /nfs/dbraw/zinc/30/18/10/609301810.db2.gz MYFPNPFJCNEZHZ-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM CCc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825705071 609307019 /nfs/dbraw/zinc/30/70/19/609307019.db2.gz VOPIJOZOOLHLBB-NTMALXAHSA-N -1 3 390.472 3.787 20 30 GHEDHM CCc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825705071 609307020 /nfs/dbraw/zinc/30/70/20/609307020.db2.gz VOPIJOZOOLHLBB-NTMALXAHSA-N -1 3 390.472 3.787 20 30 GHEDHM Cn1cc(C=CC(=O)c2c[nH]c3ccccc23)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359479 609309794 /nfs/dbraw/zinc/30/97/94/609309794.db2.gz ILZZLQIXWWJNQL-ZHACJKMWSA-N -1 3 395.426 3.645 20 30 GHEDHM Cn1cc(C=CC(=O)c2c[nH]c3ccccc23)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359479 609309796 /nfs/dbraw/zinc/30/97/96/609309796.db2.gz ILZZLQIXWWJNQL-ZHACJKMWSA-N -1 3 395.426 3.645 20 30 GHEDHM N#Cc1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)o1 ZINC000826385113 609485469 /nfs/dbraw/zinc/48/54/69/609485469.db2.gz XTLYVSHCSDCYPM-UHFFFAOYSA-N -1 3 390.378 3.662 20 30 GHEDHM N#Cc1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)o1 ZINC000826385113 609485471 /nfs/dbraw/zinc/48/54/71/609485471.db2.gz XTLYVSHCSDCYPM-UHFFFAOYSA-N -1 3 390.378 3.662 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000825038966 609552018 /nfs/dbraw/zinc/55/20/18/609552018.db2.gz LDYURMARUUNJGA-ZDUSSCGKSA-N -1 3 383.843 3.517 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000825038966 609552020 /nfs/dbraw/zinc/55/20/20/609552020.db2.gz LDYURMARUUNJGA-ZDUSSCGKSA-N -1 3 383.843 3.517 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1ccc(OC(C)C)cc1 ZINC000066547519 837769741 /nfs/dbraw/zinc/76/97/41/837769741.db2.gz NDIJPQRELTVKCA-UHFFFAOYSA-N -1 3 396.487 3.759 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSc2ccc(Cl)cc21 ZINC000128139023 834788266 /nfs/dbraw/zinc/78/82/66/834788266.db2.gz AJJZJBUTOZCHHL-UHFFFAOYSA-N -1 3 387.892 3.588 20 30 GHEDHM CC[C@](C)(C#N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000579819412 835057980 /nfs/dbraw/zinc/05/79/80/835057980.db2.gz GANSGJQCKVCTNV-OAHLLOKOSA-N -1 3 381.661 3.793 20 30 GHEDHM COc1ccc2c(c1)C(=O)/C(=C\c1cc(Br)c([O-])c(OC)c1)C2 ZINC000176938391 835259565 /nfs/dbraw/zinc/25/95/65/835259565.db2.gz WRDMWLIRDPPPPZ-XGICHPGQSA-N -1 3 375.218 3.994 20 30 GHEDHM COc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c([O-])c(OC)c1)C2 ZINC000255640826 835419368 /nfs/dbraw/zinc/41/93/68/835419368.db2.gz WRDMWLIRDPPPPZ-LFYBBSHMSA-N -1 3 375.218 3.994 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000375825802 836010226 /nfs/dbraw/zinc/01/02/26/836010226.db2.gz QRKWZGYSNHPSET-UHFFFAOYSA-N -1 3 393.443 3.591 20 30 GHEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000431753415 837339721 /nfs/dbraw/zinc/33/97/21/837339721.db2.gz VNXYDJJPNLJVCL-UHFFFAOYSA-N -1 3 385.470 3.705 20 30 GHEDHM C=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000588138690 838034076 /nfs/dbraw/zinc/03/40/76/838034076.db2.gz VJAVXSYSFIBQMF-UHFFFAOYSA-N -1 3 386.351 3.605 20 30 GHEDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(C#N)c3)nc(=O)c2c1C ZINC000014178875 839052385 /nfs/dbraw/zinc/05/23/85/839052385.db2.gz IIVWEVUZKRKDNL-GHXNOFRVSA-N -1 3 385.832 3.688 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1c(C)noc1C ZINC000119280988 840019088 /nfs/dbraw/zinc/01/90/88/840019088.db2.gz PZTSFNRIUPTZJE-ZDUSSCGKSA-N -1 3 387.383 3.612 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)ccc1Cl ZINC000157835012 841837450 /nfs/dbraw/zinc/83/74/50/841837450.db2.gz XRNKVHVLRWTWMM-UHFFFAOYSA-N -1 3 393.921 3.566 20 30 GHEDHM Cc1c(CS(C)(=O)=O)cccc1N=Cc1cc(Br)ccc1[O-] ZINC000255354169 841964621 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CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(OCC)ccc2C)c(C)c1[O-] ZINC001197140819 873595610 /nfs/dbraw/zinc/59/56/10/873595610.db2.gz BHOLCXJDGJOWNK-UHFFFAOYSA-N -1 3 382.416 3.708 20 30 GHEDHM O=S(=O)(Cc1cccnc1)[N-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001197464639 873820146 /nfs/dbraw/zinc/82/01/46/873820146.db2.gz JZYSPAOXIJNOGD-UHFFFAOYSA-N -1 3 388.264 3.599 20 30 GHEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)nc1)c1cc(C(F)(F)F)ccn1 ZINC000464479766 873970124 /nfs/dbraw/zinc/97/01/24/873970124.db2.gz XRDJAHBGVBXHDW-NSHDSACASA-N -1 3 389.255 3.927 20 30 GHEDHM N#CCSc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000769592336 874170684 /nfs/dbraw/zinc/17/06/84/874170684.db2.gz KUOJDDGJPAPUOC-UHFFFAOYSA-N -1 3 377.263 3.700 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(F)cc(C(F)(F)F)c1Cl ZINC001198159134 874253593 /nfs/dbraw/zinc/25/35/93/874253593.db2.gz RBRHOXDKROAUQH-UHFFFAOYSA-N -1 3 375.709 3.937 20 30 GHEDHM COc1ccc(NC2CCC(C#N)(c3ccccc3)CC2)cc1[N-]S(C)(=O)=O ZINC000770422096 874662274 /nfs/dbraw/zinc/66/22/74/874662274.db2.gz CZZCKDQIBTWORK-UHFFFAOYSA-N -1 3 399.516 3.883 20 30 GHEDHM C=CCSc1ncccc1C(=O)NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001199738726 875158400 /nfs/dbraw/zinc/15/84/00/875158400.db2.gz MJYHQCCQMVUNGG-UHFFFAOYSA-N -1 3 397.378 3.824 20 30 GHEDHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1Br ZINC001201322452 875632210 /nfs/dbraw/zinc/63/22/10/875632210.db2.gz LBTROCTYSVFFFL-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM CCCCN(C)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000107183035 876319341 /nfs/dbraw/zinc/31/93/41/876319341.db2.gz FLXHHJJZPVHWGP-UHFFFAOYSA-N -1 3 380.492 3.671 20 30 GHEDHM CC1(C(=O)[N-]OCCC(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000804576726 883076008 /nfs/dbraw/zinc/07/60/08/883076008.db2.gz CIOKKFRVHFWDRR-UHFFFAOYSA-N -1 3 389.805 3.818 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)C[C@@H](C#N)c2c(Cl)cccc2Cl)[n-]n1 ZINC001183092499 912275734 /nfs/dbraw/zinc/27/57/34/912275734.db2.gz ZPLXUAZFJGBGDH-VIFPVBQESA-N -1 3 381.219 3.529 20 30 GHEDHM CCOC(=O)c1[n-]cnc1NC(=O)C[C@H](C#N)c1c(Cl)cccc1Cl ZINC001183100429 912283184 /nfs/dbraw/zinc/28/31/84/912283184.db2.gz HXKCCRFXARIMNZ-SECBINFHSA-N -1 3 381.219 3.529 20 30 GHEDHM CCOC(=O)c1nc[n-]c1NC(=O)C[C@H](C#N)c1c(Cl)cccc1Cl ZINC001183100429 912283202 /nfs/dbraw/zinc/28/32/02/912283202.db2.gz HXKCCRFXARIMNZ-SECBINFHSA-N -1 3 381.219 3.529 20 30 GHEDHM O=C1C[C@H](/N=C/c2cc(Br)ccc2[O-])CN1c1c(F)cccc1F ZINC000179721616 877889037 /nfs/dbraw/zinc/88/90/37/877889037.db2.gz XFTFEMDAHVZBEI-UKWOGYLFSA-N -1 3 395.203 3.657 20 30 GHEDHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000788204865 877911759 /nfs/dbraw/zinc/91/17/59/877911759.db2.gz LJUPLCQVHDKRJE-UHFFFAOYSA-N -1 3 375.759 3.735 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000285839875 912467307 /nfs/dbraw/zinc/46/73/07/912467307.db2.gz PDHUEODELKZMLW-GFCCVEGCSA-N -1 3 393.365 3.927 20 30 GHEDHM C[C@@]1(C2CC2)NC(=O)N(c2cccc(CN=Cc3cc(Cl)ccc3[O-])c2)C1=O ZINC000790572878 879832275 /nfs/dbraw/zinc/83/22/75/879832275.db2.gz BVDJXKUNUOELID-DZCITIIWSA-N -1 3 397.862 3.890 20 30 GHEDHM CCOC(=O)C[C@H]([N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000855517743 880555829 /nfs/dbraw/zinc/55/58/29/880555829.db2.gz XAJHSTFTDRXQHF-CMPLNLGQSA-N -1 3 389.267 3.716 20 30 GHEDHM COc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)cc(Br)c1[O-] ZINC000747062240 881012720 /nfs/dbraw/zinc/01/27/20/881012720.db2.gz VTKCWCPTJSFVCM-UHFFFAOYSA-N -1 3 380.198 3.826 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)c2ccccc2Br)c1[O-] ZINC000772800853 881214696 /nfs/dbraw/zinc/21/46/96/881214696.db2.gz CKTLGTGCKBINOE-AWQFTUOYSA-N -1 3 377.282 3.747 20 30 GHEDHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714136 884234953 /nfs/dbraw/zinc/23/49/53/884234953.db2.gz YCKIVFHLFSIVRN-ZCFIWIBFSA-N -1 3 379.136 3.642 20 30 GHEDHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714136 884234969 /nfs/dbraw/zinc/23/49/69/884234969.db2.gz YCKIVFHLFSIVRN-ZCFIWIBFSA-N -1 3 379.136 3.642 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc3ccsc3[n-]2)c1C ZINC000918939943 884627742 /nfs/dbraw/zinc/62/77/42/884627742.db2.gz RDOCOQJVFQNPFJ-UHFFFAOYSA-N -1 3 381.457 3.950 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2cn3c(n2)CCCC3)cc(Br)c1[O-] ZINC000806564451 884815707 /nfs/dbraw/zinc/81/57/07/884815707.db2.gz CCVHLOONYIPKKM-SREVYHEPSA-N -1 3 391.265 3.982 20 30 GHEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000476408685 885649963 /nfs/dbraw/zinc/64/99/63/885649963.db2.gz RVBULKIESUXQLX-LJQANCHMSA-N -1 3 388.489 3.771 20 30 GHEDHM O=C(c1cccc(C(=O)N2CCCC2)n1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184234699 913093286 /nfs/dbraw/zinc/09/32/86/913093286.db2.gz APKZMEVNDVXGEH-UHFFFAOYSA-N -1 3 394.258 3.656 20 30 GHEDHM CCOc1c(OC)cc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cc1OC ZINC000763107634 887670606 /nfs/dbraw/zinc/67/06/06/887670606.db2.gz VAKFOGQRPKXGCN-BQYQJAHWSA-N -1 3 388.416 3.721 20 30 GHEDHM C=CCCCCCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000809852676 887868225 /nfs/dbraw/zinc/86/82/25/887868225.db2.gz HPZJJPFNRZAAKM-UHFFFAOYSA-N -1 3 399.987 3.610 20 30 GHEDHM COc1cc(Br)c(CN[C@@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866295135 888819885 /nfs/dbraw/zinc/81/98/85/888819885.db2.gz SNNUWJLSDDOGTA-NSHDSACASA-N -1 3 391.265 3.894 20 30 GHEDHM COc1cccc(NC(=S)NN=C(C)c2cc(Br)ccc2[O-])c1 ZINC000916298905 888898933 /nfs/dbraw/zinc/89/89/33/888898933.db2.gz ZSTCMKIVJROUAW-UHFFFAOYSA-N -1 3 394.294 3.874 20 30 GHEDHM COc1ccc(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)cc1O ZINC000811699613 889905028 /nfs/dbraw/zinc/90/50/28/889905028.db2.gz WTBQCTPDBLPJFG-HYXAFXHYSA-N -1 3 379.206 3.774 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916882777 890326386 /nfs/dbraw/zinc/32/63/86/890326386.db2.gz CHAIICNUQDFOOU-CQSZACIVSA-N -1 3 383.747 3.956 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1-c1ccccc1F ZINC000916909687 890407556 /nfs/dbraw/zinc/40/75/56/890407556.db2.gz OASUNGBKXUCLBA-ZDUSSCGKSA-N -1 3 396.809 3.934 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)ccc1[O-] ZINC000917516702 892125117 /nfs/dbraw/zinc/12/51/17/892125117.db2.gz DJDBSMHLCPNIMV-DUXPYHPUSA-N -1 3 391.217 3.831 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2ccc(F)c(F)c2)c(C)c1[O-] ZINC001185098264 913636391 /nfs/dbraw/zinc/63/63/91/913636391.db2.gz UZTMUBSEROBILC-UHFFFAOYSA-N -1 3 375.331 3.671 20 30 GHEDHM Cn1c(Cl)nc(Cl)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000814767768 893153635 /nfs/dbraw/zinc/15/36/35/893153635.db2.gz UGQRVGLEIKKDJJ-UHFFFAOYSA-N -1 3 399.332 3.782 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1cc(C2CCC2)ccn1 ZINC001185314820 913801643 /nfs/dbraw/zinc/80/16/43/913801643.db2.gz YTOJUNGSBOXHJJ-UHFFFAOYSA-N -1 3 379.338 3.814 20 30 GHEDHM N#Cc1cccc(NC(=O)C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)c1 ZINC000816499735 894878892 /nfs/dbraw/zinc/87/88/92/894878892.db2.gz YURFACZJAPVMED-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1cccc(Cl)c1 ZINC000826233960 896573720 /nfs/dbraw/zinc/57/37/20/896573720.db2.gz BLLUBZBPRNASSH-KTKRTIGZSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1cccc(Cl)c1 ZINC000826233960 896573735 /nfs/dbraw/zinc/57/37/35/896573735.db2.gz BLLUBZBPRNASSH-KTKRTIGZSA-N -1 3 390.834 3.910 20 30 GHEDHM Clc1ccccc1-c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822585507 898509889 /nfs/dbraw/zinc/50/98/89/898509889.db2.gz BJTVZVAXUXYTKP-UHFFFAOYSA-N -1 3 378.823 3.904 20 30 GHEDHM Clc1ccccc1-c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822585507 898509902 /nfs/dbraw/zinc/50/99/02/898509902.db2.gz BJTVZVAXUXYTKP-UHFFFAOYSA-N -1 3 378.823 3.904 20 30 GHEDHM N#Cc1nnc2ccccc2c1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826388041 899221526 /nfs/dbraw/zinc/22/15/26/899221526.db2.gz GLYQNMKKPHOXFS-UHFFFAOYSA-N -1 3 399.361 3.852 20 30 GHEDHM N#Cc1nnc2ccccc2c1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826388041 899221542 /nfs/dbraw/zinc/22/15/42/899221542.db2.gz GLYQNMKKPHOXFS-UHFFFAOYSA-N -1 3 399.361 3.852 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823893994 899308966 /nfs/dbraw/zinc/30/89/66/899308966.db2.gz DGYMFEPDPGVNGU-AWEZNQCLSA-N -1 3 378.436 3.529 20 30 GHEDHM C=CCCC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823893994 899308977 /nfs/dbraw/zinc/30/89/77/899308977.db2.gz DGYMFEPDPGVNGU-AWEZNQCLSA-N -1 3 378.436 3.529 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000118300399 899431222 /nfs/dbraw/zinc/43/12/22/899431222.db2.gz YBFNFYVVLKSKEU-IIBYNOLFSA-N -1 3 395.528 3.501 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000118300404 899431430 /nfs/dbraw/zinc/43/14/30/899431430.db2.gz YBFNFYVVLKSKEU-KKSFZXQISA-N -1 3 395.528 3.501 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000332441066 899673153 /nfs/dbraw/zinc/67/31/53/899673153.db2.gz BYQWQJUQLBCCSE-IUODEOHRSA-N -1 3 381.451 3.882 20 30 GHEDHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc2)C[C@H](C)O1 ZINC000886395751 900978744 /nfs/dbraw/zinc/97/87/44/900978744.db2.gz JPZOGAWWTKDYIS-IRXDYDNUSA-N -1 3 399.516 3.557 20 30 GHEDHM CC(C)(C)OC(=O)[C@]1(C([O-])=C(C#N)c2cnc3ccccc3n2)CC=CCC1 ZINC000845530268 902233111 /nfs/dbraw/zinc/23/31/11/902233111.db2.gz FMALPFVSEOUUSH-IVZQSRNASA-N -1 3 377.444 3.874 20 30 GHEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)n1ccc2ccccc2c1=O ZINC000845844567 902411124 /nfs/dbraw/zinc/41/11/24/902411124.db2.gz SEMMIPPYZFUUJJ-UZLBHIALSA-N -1 3 384.435 3.572 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nc(-c2cccs2)no1 ZINC000845843478 902460494 /nfs/dbraw/zinc/46/04/94/902460494.db2.gz XXWYYBOWDGOQIA-OAHLLOKOSA-N -1 3 391.452 3.740 20 30 GHEDHM Cc1csc(C2(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCCC2)n1 ZINC000264876154 903445827 /nfs/dbraw/zinc/44/58/27/903445827.db2.gz VLXDFEKEHPIXGW-UHFFFAOYSA-N -1 3 384.505 3.559 20 30 GHEDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3cc(F)ncc3F)c(C#N)c21 ZINC001146963065 903658505 /nfs/dbraw/zinc/65/85/05/903658505.db2.gz QHPXLCXXYCFYLW-VIFPVBQESA-N -1 3 391.399 3.528 20 30 GHEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1csc(-n2ncc3ccccc32)n1 ZINC001148065974 903958992 /nfs/dbraw/zinc/95/89/92/903958992.db2.gz WDYWOQSPTGHTPX-UHFFFAOYSA-N -1 3 397.423 3.549 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(NC(=O)c4ccco4)c3)nc1-2 ZINC000429573082 905450190 /nfs/dbraw/zinc/45/01/90/905450190.db2.gz XVPOWZJQFWJCEW-HNNXBMFYSA-N -1 3 385.383 3.602 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000177211692 906067129 /nfs/dbraw/zinc/06/71/29/906067129.db2.gz XLOPQQWHQGKANQ-UHFFFAOYSA-N -1 3 383.423 3.505 20 30 GHEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000628482606 906167425 /nfs/dbraw/zinc/16/74/25/906167425.db2.gz TXOPULFJYFFYIL-OAHLLOKOSA-N -1 3 388.464 3.665 20 30 GHEDHM N#CC(=C([O-])c1ccccc1COC1CCOCC1)c1cnc2ccccc2n1 ZINC000190946493 906468106 /nfs/dbraw/zinc/46/81/06/906468106.db2.gz OUZJGHXJILQEDP-IBGZPJMESA-N -1 3 387.439 3.815 20 30 GHEDHM Cc1ccc([C@@]2(C)CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 ZINC000366127820 921308445 /nfs/dbraw/zinc/30/84/45/921308445.db2.gz QLDYFYADADAOCA-QHCPKHFHSA-N -1 3 377.488 3.707 20 30 GHEDHM C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175271192 907481068 /nfs/dbraw/zinc/48/10/68/907481068.db2.gz UZGPQKNYZGFOIS-FAQVEIGNSA-N -1 3 398.409 3.863 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(C)(C)c2ccc(C)cc2)c(C)c1[O-] ZINC001180606696 910269443 /nfs/dbraw/zinc/26/94/43/910269443.db2.gz XBMWRXBVGCEZHJ-UHFFFAOYSA-N -1 3 380.444 3.974 20 30 GHEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000795421363 910272357 /nfs/dbraw/zinc/27/23/57/910272357.db2.gz WWVDNIQBJHOSMX-UHFFFAOYSA-N -1 3 382.819 3.656 20 30 GHEDHM N#Cc1cc(Cl)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1Cl ZINC001212937302 911788880 /nfs/dbraw/zinc/78/88/80/911788880.db2.gz XQZANMIYLBEGCX-UHFFFAOYSA-N -1 3 378.131 3.591 20 30 GHEDHM CCN(c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1)C(C)C ZINC000098080800 916177889 /nfs/dbraw/zinc/17/78/89/916177889.db2.gz KDFLBKCKXLSMEV-UHFFFAOYSA-N -1 3 380.492 3.669 20 30 GHEDHM O=S(=O)([N-]Cc1c(F)ccc(F)c1F)c1cc(C(F)(F)F)ccc1F ZINC001190328306 917262235 /nfs/dbraw/zinc/26/22/35/917262235.db2.gz MSDCAVHREDJJCH-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM O=S(=O)([N-]Cc1cc(F)c(F)cc1F)c1cc(C(F)(F)F)ccc1F ZINC001190328692 917263255 /nfs/dbraw/zinc/26/32/55/917263255.db2.gz SBDCGPXFIVSGRT-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2c3ccccc3-c3ccccc32)c1 ZINC001190676394 917506607 /nfs/dbraw/zinc/50/66/07/917506607.db2.gz CDKKCMSDDUYAEL-UHFFFAOYSA-N -1 3 378.428 3.788 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c(=O)[n-]1 ZINC000297698688 919626934 /nfs/dbraw/zinc/62/69/34/919626934.db2.gz FTKKSVREVFTBDL-QWRGUYRKSA-N -1 3 384.505 3.989 20 30 GHEDHM Cc1c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cnn1C1CCOCC1 ZINC000901378037 921055525 /nfs/dbraw/zinc/05/55/25/921055525.db2.gz ARCRIAUPEBWUES-UHFFFAOYSA-N -1 3 384.263 3.881 20 30 GHEDHM Cc1nn(CCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000901378624 921055824 /nfs/dbraw/zinc/05/58/24/921055824.db2.gz NUJDWURPVJBWDB-UHFFFAOYSA-N -1 3 387.223 3.523 20 30 GHEDHM COCCOc1ccc(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000901379168 921057289 /nfs/dbraw/zinc/05/72/89/921057289.db2.gz REZWLRMRIDGHSP-UHFFFAOYSA-N -1 3 384.259 3.979 20 30 GHEDHM O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380291 921058139 /nfs/dbraw/zinc/05/81/39/921058139.db2.gz RUWCBLWGVNMDJB-AWEZNQCLSA-N -1 3 383.206 3.976 20 30 GHEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000726319648 926624376 /nfs/dbraw/zinc/62/43/76/926624376.db2.gz MPGDRHMGRMIHQW-INIZCTEOSA-N -1 3 389.367 3.718 20 30 GHEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC#N)c2)cc1 ZINC000490673809 926659275 /nfs/dbraw/zinc/65/92/75/926659275.db2.gz QHLKFQDFSJOQNQ-UHFFFAOYSA-N -1 3 399.516 3.782 20 30 GHEDHM CCOC(=O)Nc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1C#N ZINC000752800605 929028131 /nfs/dbraw/zinc/02/81/31/929028131.db2.gz XYLHXUYOFRAICH-UHFFFAOYSA-N -1 3 393.399 3.859 20 30 GHEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CC(c3cccc(Cl)c3)C2)cc1 ZINC000753924799 929594554 /nfs/dbraw/zinc/59/45/54/929594554.db2.gz VRJFIZVULZVCAR-UHFFFAOYSA-N -1 3 393.852 3.601 20 30 GHEDHM Cc1nn(-c2ccc(C([O-])=C(C#N)c3ccncn3)cc2)c(C)c1Br ZINC000546154472 929912149 /nfs/dbraw/zinc/91/21/49/929912149.db2.gz YLPPZZBHOAKASX-HNNXBMFYSA-N -1 3 396.248 3.532 20 30 GHEDHM CCN(C[C@@H](C)C#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469564555 929992976 /nfs/dbraw/zinc/99/29/76/929992976.db2.gz AFYZKZKFIPSFOI-VIFPVBQESA-N -1 3 396.672 3.566 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)c(C(F)(F)F)c(F)c2)c1 ZINC000759431888 930365887 /nfs/dbraw/zinc/36/58/87/930365887.db2.gz OTOWYYDCQYAYFG-GFCCVEGCSA-N -1 3 398.287 3.953 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000796788609 932067967 /nfs/dbraw/zinc/06/79/67/932067967.db2.gz KEZIPIUUZAJMLY-KRWDZBQOSA-N -1 3 398.344 3.852 20 30 GHEDHM COc1c([O-])c(CNc2ccc(OC(F)(F)F)c(C#N)c2)ccc1[N+](=O)[O-] ZINC000799738570 933106856 /nfs/dbraw/zinc/10/68/56/933106856.db2.gz FGDBTMJAIRRVRR-UHFFFAOYSA-N -1 3 383.282 3.691 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c(Cl)c1 ZINC001116686507 933703300 /nfs/dbraw/zinc/70/33/00/933703300.db2.gz QLKQCFIQRYAAML-UHFFFAOYSA-N -1 3 375.881 3.608 20 30 GHEDHM N#CC(=C([O-])c1cccc(C(=O)N2CCCCC2)c1)c1cnc2ccccc2n1 ZINC001122897751 935022087 /nfs/dbraw/zinc/02/20/87/935022087.db2.gz LBPBZJATIUSNAZ-GOSISDBHSA-N -1 3 384.439 3.746 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573293991 946976080 /nfs/dbraw/zinc/97/60/80/946976080.db2.gz QQZZUIUJPOAHAT-HNNXBMFYSA-N -1 3 377.448 3.639 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573293991 946976083 /nfs/dbraw/zinc/97/60/83/946976083.db2.gz QQZZUIUJPOAHAT-HNNXBMFYSA-N -1 3 377.448 3.639 20 30 GHEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(CC)CC1 ZINC001573298214 947072152 /nfs/dbraw/zinc/07/21/52/947072152.db2.gz OFVKPYHWPUDGMK-UHFFFAOYSA-N -1 3 398.902 3.504 20 30 GHEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(CC)CC1 ZINC001573298214 947072163 /nfs/dbraw/zinc/07/21/63/947072163.db2.gz OFVKPYHWPUDGMK-UHFFFAOYSA-N -1 3 398.902 3.504 20 30 GHEDHM C=C[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573298991 947086548 /nfs/dbraw/zinc/08/65/48/947086548.db2.gz BJWYCPYZXKLRJQ-INIZCTEOSA-N -1 3 377.448 3.952 20 30 GHEDHM C=C[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573298991 947086559 /nfs/dbraw/zinc/08/65/59/947086559.db2.gz BJWYCPYZXKLRJQ-INIZCTEOSA-N -1 3 377.448 3.952 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC001573341136 947528061 /nfs/dbraw/zinc/52/80/61/947528061.db2.gz IMHKEBNOCQDOIJ-KRWDZBQOSA-N -1 3 398.417 3.571 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC001573341136 947528074 /nfs/dbraw/zinc/52/80/74/947528074.db2.gz IMHKEBNOCQDOIJ-KRWDZBQOSA-N -1 3 398.417 3.571 20 30 GHEDHM C[C@@H](CCc1ccc(Br)cc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001574695137 949104223 /nfs/dbraw/zinc/10/42/23/949104223.db2.gz ZUNULZJTHNFXEO-LBPRGKRZSA-N -1 3 397.280 3.934 20 30 GHEDHM C[C@@H](CCc1ccc(Br)cc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001574695137 949104233 /nfs/dbraw/zinc/10/42/33/949104233.db2.gz ZUNULZJTHNFXEO-LBPRGKRZSA-N -1 3 397.280 3.934 20 30 GHEDHM CC(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC001574099152 949168454 /nfs/dbraw/zinc/16/84/54/949168454.db2.gz IOGZFXHQIAGWDE-AWEZNQCLSA-N -1 3 392.488 3.813 20 30 GHEDHM CC(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001574099152 949168464 /nfs/dbraw/zinc/16/84/64/949168464.db2.gz IOGZFXHQIAGWDE-AWEZNQCLSA-N -1 3 392.488 3.813 20 30 GHEDHM CC(C)(C)c1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001573881251 950750131 /nfs/dbraw/zinc/75/01/31/950750131.db2.gz BJGRFTYLFIKVBW-HNNXBMFYSA-N -1 3 392.438 3.624 20 30 GHEDHM CC(C)(C)c1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001573881251 950750144 /nfs/dbraw/zinc/75/01/44/950750144.db2.gz BJGRFTYLFIKVBW-HNNXBMFYSA-N -1 3 392.438 3.624 20 30 GHEDHM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000777844130 1017751587 /nfs/dbraw/zinc/75/15/87/1017751587.db2.gz ZHNOKSHWGVKAQW-LLVKDONJSA-N -1 3 393.336 3.718 20 30 GHEDHM [O-]N=C(N[C@H](F)Oc1cccc(Cl)n1)c1ccc(OC(F)(F)F)cc1 ZINC001155909355 1032784107 /nfs/dbraw/zinc/78/41/07/1032784107.db2.gz NGEXUARKHMFROV-ZDUSSCGKSA-N -1 3 379.697 3.691 20 30 GHEDHM CCOC(=O)c1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC001155909334 1032784958 /nfs/dbraw/zinc/78/49/58/1032784958.db2.gz MWSAVSGSAWJEJZ-UHFFFAOYSA-N -1 3 383.326 3.713 20 30 GHEDHM CC(C)OC(=O)c1cccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155914934 1032791943 /nfs/dbraw/zinc/79/19/43/1032791943.db2.gz ZXSAFAHHWKHZNV-UHFFFAOYSA-N -1 3 383.326 3.793 20 30 GHEDHM CSc1nc(C2CC2)cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1C#N ZINC000155798353 1019553758 /nfs/dbraw/zinc/55/37/58/1019553758.db2.gz HVLXSMQXAPLGJI-UHFFFAOYSA-N -1 3 385.396 3.675 20 30 GHEDHM C=C[C@@H]1OCC[C@H]1C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902946953 1021559863 /nfs/dbraw/zinc/55/98/63/1021559863.db2.gz CHYKGPSPNPOKQP-KWQFWETISA-N -1 3 384.732 3.553 20 30 GHEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000836269666 1022802941 /nfs/dbraw/zinc/80/29/41/1022802941.db2.gz FSSFYPPMUMVDMO-SFHVURJKSA-N -1 3 381.432 3.737 20 30 GHEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000836269666 1022802949 /nfs/dbraw/zinc/80/29/49/1022802949.db2.gz FSSFYPPMUMVDMO-SFHVURJKSA-N -1 3 381.432 3.737 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3[nH]c(C)cc3c2)c(C)c1[O-] ZINC001156540063 1033093530 /nfs/dbraw/zinc/09/35/30/1033093530.db2.gz VYOQHVCKXUWGEY-UHFFFAOYSA-N -1 3 377.400 3.791 20 30 GHEDHM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1cc2c(cc1[O-])CCC2=O ZINC001228855101 1033137399 /nfs/dbraw/zinc/13/73/99/1033137399.db2.gz CEUBWDRUVIWDMO-CQSZACIVSA-N -1 3 376.330 4.000 20 30 GHEDHM NC(=O)c1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c2sccc21 ZINC001163766193 1026309477 /nfs/dbraw/zinc/30/94/77/1026309477.db2.gz XDPPMUIKOBQEFL-UHFFFAOYSA-N -1 3 396.350 3.542 20 30 GHEDHM O=c1[nH][n-]cc1CCCNc1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC001164381966 1026502493 /nfs/dbraw/zinc/50/24/93/1026502493.db2.gz IWKBAZJBFRSYMY-KRWDZBQOSA-N -1 3 396.288 3.773 20 30 GHEDHM C[C@H]([N-]C(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC001141931308 1027688551 /nfs/dbraw/zinc/68/85/51/1027688551.db2.gz XBTHHAFPOGYHCW-ATILHIBWSA-N -1 3 377.231 3.583 20 30 GHEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000840711211 1027750168 /nfs/dbraw/zinc/75/01/68/1027750168.db2.gz XFBXNNWUAHAXBD-CTRIVLPBSA-N -1 3 387.277 3.940 20 30 GHEDHM N#Cc1ccc([O-])c(Nc2cn(S(=O)(=O)c3ccccc3)c3cnccc23)c1 ZINC001213679132 1028324204 /nfs/dbraw/zinc/32/42/04/1028324204.db2.gz BCDODEPYGWDZQA-UHFFFAOYSA-N -1 3 390.424 3.594 20 30 GHEDHM C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142649846 1029206611 /nfs/dbraw/zinc/20/66/11/1029206611.db2.gz LZVNUVMIFSBXMT-ICSRJNTNSA-N -1 3 379.884 3.612 20 30 GHEDHM CC(C)(C)c1ccc(-c2noc(-c3cccc(OCCO)c3[O-])n2)c(C#N)c1 ZINC001216959882 1030032779 /nfs/dbraw/zinc/03/27/79/1030032779.db2.gz YWWNGUAZVWMPCJ-UHFFFAOYSA-N -1 3 379.416 3.649 20 30 GHEDHM N#Cc1ccc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)cc1Cl ZINC001231452155 1034596190 /nfs/dbraw/zinc/59/61/90/1034596190.db2.gz BTKLFDKQFWXOAG-UHFFFAOYSA-N -1 3 386.835 3.659 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C2(C(=O)N([O-])Cc3ccc(F)cc3)CC2)CC1 ZINC001161848557 1035314373 /nfs/dbraw/zinc/31/43/73/1035314373.db2.gz HGELNDYJPXAZIE-UHFFFAOYSA-N -1 3 392.471 3.971 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc2cccnc12 ZINC001248518782 1035928499 /nfs/dbraw/zinc/92/84/99/1035928499.db2.gz MEDBZMGSJDPWRP-UHFFFAOYSA-N -1 3 376.441 3.589 20 30 GHEDHM C=CCOCc1nn(CC2CC2)c2c1CN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233394581 1039228723 /nfs/dbraw/zinc/22/87/23/1039228723.db2.gz SPHKNBNNZKEDKO-UHFFFAOYSA-N -1 3 389.446 3.538 20 30 GHEDHM N#CC=C([O-])c1ccccc1OC[C@@H]1COc2cc(Br)ccc2O1 ZINC001233530353 1039416165 /nfs/dbraw/zinc/41/61/65/1039416165.db2.gz MDEHYMCAEZGFPN-CYBMUJFWSA-N -1 3 388.217 3.764 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001233803899 1039629143 /nfs/dbraw/zinc/62/91/43/1039629143.db2.gz UVRCUZGXVADGHE-NXSNIQIJSA-N -1 3 381.885 3.657 20 30 GHEDHM C=CC(C)(C)CCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001253519651 1039686858 /nfs/dbraw/zinc/68/68/58/1039686858.db2.gz ORIRRBLDRRYPMI-AWEZNQCLSA-N -1 3 397.441 3.971 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)c12 ZINC001234513672 1040092003 /nfs/dbraw/zinc/09/20/03/1040092003.db2.gz NOKPGRLIJOHVCA-AWEZNQCLSA-N -1 3 390.277 3.798 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3Cc4cccc(Br)c4C3)c12 ZINC001234513073 1040092224 /nfs/dbraw/zinc/09/22/24/1040092224.db2.gz IAPIVRHUBOKMLD-GFCCVEGCSA-N -1 3 382.217 3.516 20 30 GHEDHM N#Cc1ccc(N2CCCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)nc1 ZINC001237082098 1042027903 /nfs/dbraw/zinc/02/79/03/1042027903.db2.gz PWUAEUUYEWOIMP-UHFFFAOYSA-N -1 3 377.275 3.678 20 30 GHEDHM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)CCc2cccc(F)c2)nc1 ZINC001259774397 1045298178 /nfs/dbraw/zinc/29/81/78/1045298178.db2.gz VBIXIIRRUVGINN-UHFFFAOYSA-N -1 3 381.432 3.744 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)c(Cl)s2)s1 ZINC001260494138 1045515991 /nfs/dbraw/zinc/51/59/91/1045515991.db2.gz PETXGTRFTBHOIB-UHFFFAOYSA-N -1 3 397.728 3.576 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1F ZINC001260855088 1045716389 /nfs/dbraw/zinc/71/63/89/1045716389.db2.gz KJGVDVHDGGCVLS-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001263286273 1046680760 /nfs/dbraw/zinc/68/07/60/1046680760.db2.gz ZPJIUNPIDQFGNM-OAQYLSRUSA-N -1 3 380.496 3.652 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001263535245 1046928773 /nfs/dbraw/zinc/92/87/73/1046928773.db2.gz TYGNTIWMUZFLHR-INMHGKMJSA-N -1 3 379.378 3.886 20 30 GHEDHM O=C(C1CCN(C(=O)c2ccccc2)CC1)N([O-])CCCCc1ccccc1 ZINC001306896268 1048949639 /nfs/dbraw/zinc/94/96/39/1048949639.db2.gz PUKKKCPMPFYHQG-UHFFFAOYSA-N -1 3 380.488 3.780 20 30 GHEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001342302910 1053090729 /nfs/dbraw/zinc/09/07/29/1053090729.db2.gz IVOPCANZJVFYHI-LBPRGKRZSA-N -1 3 390.438 3.518 20 30 GHEDHM N#CC(=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1)c1nccn1Cc1ccccc1 ZINC001343273207 1053669330 /nfs/dbraw/zinc/66/93/30/1053669330.db2.gz OFJKJKVLVXQIGU-SFHVURJKSA-N -1 3 385.402 3.951 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC001343286400 1053677962 /nfs/dbraw/zinc/67/79/62/1053677962.db2.gz FPGHJLXGWUHUCO-CRAIPNDOSA-N -1 3 390.491 3.708 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccncc3)s2)cc1 ZINC001356041825 1057367111 /nfs/dbraw/zinc/36/71/11/1057367111.db2.gz GPLDEGFLPZSUSH-MRXNPFEDSA-N -1 3 376.441 3.729 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC001346441082 1061566547 /nfs/dbraw/zinc/56/65/47/1061566547.db2.gz JLJMFTMDWDLMSQ-QGZVFWFLSA-N -1 3 381.436 3.565 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N([O-])CCCCc1ccccc1 ZINC001457995431 1063495624 /nfs/dbraw/zinc/49/56/24/1063495624.db2.gz UCCCUJRLKQYOCR-OAQYLSRUSA-N -1 3 392.499 3.769 20 30 GHEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cc(C#N)ccc3F)s2)cc1 ZINC001350805968 1064192361 /nfs/dbraw/zinc/19/23/61/1064192361.db2.gz CXIKZFPWWNECNX-UHFFFAOYSA-N -1 3 395.444 3.965 20 30 GHEDHM Cc1ccc([C@H](CC(F)(F)F)[N-]S(=O)(=O)c2cccc(F)c2C#N)cc1 ZINC001463471793 1064383922 /nfs/dbraw/zinc/38/39/22/1064383922.db2.gz MQHFCANZWAGVSN-HNNXBMFYSA-N -1 3 386.370 3.978 20 30 GHEDHM CC[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)CC(F)(F)F ZINC001463894307 1064700454 /nfs/dbraw/zinc/70/04/54/1064700454.db2.gz OMEAFMDLRFKIAW-VIFPVBQESA-N -1 3 399.232 3.578 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001352063885 1064802448 /nfs/dbraw/zinc/80/24/48/1064802448.db2.gz WNMBHIZNUCWDQO-KUHUBIRLSA-N -1 3 376.464 3.523 20 30 GHEDHM O=C(Nc1ccccc1Oc1ccccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC001465077778 1065376668 /nfs/dbraw/zinc/37/66/68/1065376668.db2.gz CIYXAPIIMGVIDL-AWEZNQCLSA-N -1 3 375.812 3.634 20 30 GHEDHM N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001300192831 1065624873 /nfs/dbraw/zinc/62/48/73/1065624873.db2.gz GFUGGSZOKIBNSL-CQSZACIVSA-N -1 3 392.390 3.548 20 30 GHEDHM O=C(c1ccccc1[S@](=O)C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC001472620180 1073580549 /nfs/dbraw/zinc/58/05/49/1073580549.db2.gz RTQAVOXIVYJQOT-DEOSSOPVSA-N -1 3 377.771 3.999 20 30 GHEDHM O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001472622317 1073582356 /nfs/dbraw/zinc/58/23/56/1073582356.db2.gz IKNOCHOTNSDLAZ-UHFFFAOYSA-N -1 3 381.285 3.926 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(Cl)cc2-c2nnn[n-]2)ccc1OC ZINC000736310377 598829972 /nfs/dbraw/zinc/82/99/72/598829972.db2.gz YKKFNRCZFMRSIX-AWEZNQCLSA-N -1 3 398.854 3.822 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(Cl)cc2-c2nn[n-]n2)ccc1OC ZINC000736310377 598829973 /nfs/dbraw/zinc/82/99/73/598829973.db2.gz YKKFNRCZFMRSIX-AWEZNQCLSA-N -1 3 398.854 3.822 20 30 GHEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCc1ccccc1 ZINC000819719080 607253043 /nfs/dbraw/zinc/25/30/43/607253043.db2.gz YSUHVMPXVUGEEO-UHFFFAOYSA-N -1 3 384.443 3.569 20 30 GHEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCc1ccccc1 ZINC000819719080 607253044 /nfs/dbraw/zinc/25/30/44/607253044.db2.gz YSUHVMPXVUGEEO-UHFFFAOYSA-N -1 3 384.443 3.569 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000819759363 599142711 /nfs/dbraw/zinc/14/27/11/599142711.db2.gz VEYPJOLOGIAEIW-UHFFFAOYSA-N -1 3 393.447 3.889 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000819759363 599142713 /nfs/dbraw/zinc/14/27/13/599142713.db2.gz VEYPJOLOGIAEIW-UHFFFAOYSA-N -1 3 393.447 3.889 20 30 GHEDHM COc1ccc(C=CC(=O)c2sccc2Br)cc1-c1nnn[n-]1 ZINC000737081097 599155108 /nfs/dbraw/zinc/15/51/08/599155108.db2.gz KMQUNIDEZUMQNA-RQOWECAXSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1ccc(C=CC(=O)c2sccc2Br)cc1-c1nn[n-]n1 ZINC000737081097 599155110 /nfs/dbraw/zinc/15/51/10/599155110.db2.gz KMQUNIDEZUMQNA-RQOWECAXSA-N -1 3 391.250 3.595 20 30 GHEDHM CCc1ccc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000736684367 599156802 /nfs/dbraw/zinc/15/68/02/599156802.db2.gz YBCFCOSJDOWQLQ-KHPPLWFESA-N -1 3 390.472 3.881 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203206 599157306 /nfs/dbraw/zinc/15/73/06/599157306.db2.gz SLKZGSLHSKXSOL-BJMVGYQFSA-N -1 3 390.834 3.910 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)ccc1-c1nnn[n-]1 ZINC000737709185 599194415 /nfs/dbraw/zinc/19/44/15/599194415.db2.gz LCQXICZJTOMYJQ-UHFFFAOYSA-N -1 3 378.395 3.562 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)ccc1-c1nn[n-]n1 ZINC000737709185 599194416 /nfs/dbraw/zinc/19/44/16/599194416.db2.gz LCQXICZJTOMYJQ-UHFFFAOYSA-N -1 3 378.395 3.562 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735426107 599267766 /nfs/dbraw/zinc/26/77/66/599267766.db2.gz KOJPKCAELYNDTC-UHFFFAOYSA-N -1 3 384.827 3.617 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735426107 599267767 /nfs/dbraw/zinc/26/77/67/599267767.db2.gz KOJPKCAELYNDTC-UHFFFAOYSA-N -1 3 384.827 3.617 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735426529 598318139 /nfs/dbraw/zinc/31/81/39/598318139.db2.gz RIDYBBYOXWXTDN-UHFFFAOYSA-N -1 3 384.896 3.905 20 30 GHEDHM C=CCN(Cc1ccccc1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735426529 598318141 /nfs/dbraw/zinc/31/81/41/598318141.db2.gz RIDYBBYOXWXTDN-UHFFFAOYSA-N -1 3 384.896 3.905 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000819745560 607355262 /nfs/dbraw/zinc/35/52/62/607355262.db2.gz JTLZYCOUHITFFY-UHFFFAOYSA-N -1 3 390.447 3.680 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(C(=O)CC)c1 ZINC000819745560 607355264 /nfs/dbraw/zinc/35/52/64/607355264.db2.gz JTLZYCOUHITFFY-UHFFFAOYSA-N -1 3 390.447 3.680 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737731062 598554064 /nfs/dbraw/zinc/55/40/64/598554064.db2.gz XJHUQDMRPGFVOA-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000737731062 598554066 /nfs/dbraw/zinc/55/40/66/598554066.db2.gz XJHUQDMRPGFVOA-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735391920 598608743 /nfs/dbraw/zinc/60/87/43/598608743.db2.gz XXMSKULGXIZNEW-UHFFFAOYSA-N -1 3 379.423 3.695 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735391920 598608745 /nfs/dbraw/zinc/60/87/45/598608745.db2.gz XXMSKULGXIZNEW-UHFFFAOYSA-N -1 3 379.423 3.695 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000819765373 599630769 /nfs/dbraw/zinc/63/07/69/599630769.db2.gz PDNBWUGVBISVPN-XFFZJAGNSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000819765373 599630770 /nfs/dbraw/zinc/63/07/70/599630770.db2.gz PDNBWUGVBISVPN-XFFZJAGNSA-N -1 3 398.348 3.799 20 30 GHEDHM O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922292 599691537 /nfs/dbraw/zinc/69/15/37/599691537.db2.gz FGHVWXXIRDEREJ-LUAWRHEFSA-N -1 3 387.355 3.931 20 30 GHEDHM O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922292 599691538 /nfs/dbraw/zinc/69/15/38/599691538.db2.gz FGHVWXXIRDEREJ-LUAWRHEFSA-N -1 3 387.355 3.931 20 30 GHEDHM N#Cc1ccc([C@@H](NCc2cccc(COCc3ccco3)c2)C(=O)[O-])cc1 ZINC000739107449 600594147 /nfs/dbraw/zinc/59/41/47/600594147.db2.gz QEDZGKHYVLKVSJ-OAQYLSRUSA-N -1 3 376.412 3.784 20 30 GHEDHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000826269022 607520001 /nfs/dbraw/zinc/52/00/01/607520001.db2.gz XWUGGEURCREUGW-UHFFFAOYSA-N -1 3 399.433 3.788 20 30 GHEDHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccnc(C#N)c1 ZINC000826269022 607520002 /nfs/dbraw/zinc/52/00/02/607520002.db2.gz XWUGGEURCREUGW-UHFFFAOYSA-N -1 3 399.433 3.788 20 30 GHEDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000826045008 601869151 /nfs/dbraw/zinc/86/91/51/601869151.db2.gz OLQHYSNBSVCDGZ-FOIQADDNSA-N -1 3 399.878 3.638 20 30 GHEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cc(Cl)ccc1Cl ZINC000824764196 607709851 /nfs/dbraw/zinc/70/98/51/607709851.db2.gz UGUBANFLKXISDX-SSDOTTSWSA-N -1 3 392.275 3.876 20 30 GHEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cc(Cl)ccc1Cl ZINC000824764196 607709853 /nfs/dbraw/zinc/70/98/53/607709853.db2.gz UGUBANFLKXISDX-SSDOTTSWSA-N -1 3 392.275 3.876 20 30 GHEDHM CC1(C)C(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1(C)C ZINC000820583310 606134927 /nfs/dbraw/zinc/13/49/27/606134927.db2.gz CHWLTKFMIOAQNX-CYBMUJFWSA-N -1 3 392.488 3.849 20 30 GHEDHM CC1(C)C(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1(C)C ZINC000820583310 606134929 /nfs/dbraw/zinc/13/49/29/606134929.db2.gz CHWLTKFMIOAQNX-CYBMUJFWSA-N -1 3 392.488 3.849 20 30 GHEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1Br ZINC000821768835 606303803 /nfs/dbraw/zinc/30/38/03/606303803.db2.gz AGHPLRJEIWVKPT-ARJAWSKDSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Br ZINC000821768835 606303804 /nfs/dbraw/zinc/30/38/04/606303804.db2.gz AGHPLRJEIWVKPT-ARJAWSKDSA-N -1 3 391.250 3.595 20 30 GHEDHM C=CCOCCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819759022 606360585 /nfs/dbraw/zinc/36/05/85/606360585.db2.gz LHDRENMLICNVHP-UHFFFAOYSA-N -1 3 380.404 3.547 20 30 GHEDHM C=CCOCCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819759022 606360586 /nfs/dbraw/zinc/36/05/86/606360586.db2.gz LHDRENMLICNVHP-UHFFFAOYSA-N -1 3 380.404 3.547 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000822924255 606391444 /nfs/dbraw/zinc/39/14/44/606391444.db2.gz ZNSKNKPZFKHQIR-ALCCZGGFSA-N -1 3 380.351 3.765 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(Cl)c(Cl)ccc21 ZINC000823504844 606391599 /nfs/dbraw/zinc/39/15/99/606391599.db2.gz VHVOZOBFHZCRIT-ALCCZGGFSA-N -1 3 379.228 3.894 20 30 GHEDHM C=CCN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819745497 606479455 /nfs/dbraw/zinc/47/94/55/606479455.db2.gz GNYURFUGVSYYIE-UHFFFAOYSA-N -1 3 377.420 3.718 20 30 GHEDHM C=CCN(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819745497 606479457 /nfs/dbraw/zinc/47/94/57/606479457.db2.gz GNYURFUGVSYYIE-UHFFFAOYSA-N -1 3 377.420 3.718 20 30 GHEDHM N#Cc1csc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822845747 606511569 /nfs/dbraw/zinc/51/15/69/606511569.db2.gz GJWXCFYUCAXBQN-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1csc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822845747 606511570 /nfs/dbraw/zinc/51/15/70/606511570.db2.gz GJWXCFYUCAXBQN-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM CCSc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000821461114 606514532 /nfs/dbraw/zinc/51/45/32/606514532.db2.gz JTXOXXRBHQTAQM-UHFFFAOYSA-N -1 3 384.852 3.756 20 30 GHEDHM CCSc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000821461114 606514533 /nfs/dbraw/zinc/51/45/33/606514533.db2.gz JTXOXXRBHQTAQM-UHFFFAOYSA-N -1 3 384.852 3.756 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000819743943 606537595 /nfs/dbraw/zinc/53/75/95/606537595.db2.gz TWFBZBGFJXYINR-QINSGFPZSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000819743943 606537596 /nfs/dbraw/zinc/53/75/96/606537596.db2.gz TWFBZBGFJXYINR-QINSGFPZSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000819744171 606629008 /nfs/dbraw/zinc/62/90/08/606629008.db2.gz YXFAPKOAFYUAKZ-INIZCTEOSA-N -1 3 391.475 3.584 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000819744171 606629010 /nfs/dbraw/zinc/62/90/10/606629010.db2.gz YXFAPKOAFYUAKZ-INIZCTEOSA-N -1 3 391.475 3.584 20 30 GHEDHM CSc1cc(Br)ccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000821979075 606702464 /nfs/dbraw/zinc/70/24/64/606702464.db2.gz OSOTVNDFJGEHKX-UHFFFAOYSA-N -1 3 389.282 3.797 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1F ZINC000819772622 606835486 /nfs/dbraw/zinc/83/54/86/606835486.db2.gz HQKHVHYZEYXKNT-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820550653 606851067 /nfs/dbraw/zinc/85/10/67/606851067.db2.gz YIERZSNATOJQBF-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820550653 606851068 /nfs/dbraw/zinc/85/10/68/606851068.db2.gz YIERZSNATOJQBF-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM N#Cc1ccc(-c2ccc(OC[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000822823257 606851263 /nfs/dbraw/zinc/85/12/63/606851263.db2.gz NKYKYSFSEXEGGR-NRFANRHFSA-N -1 3 383.411 3.518 20 30 GHEDHM N#Cc1ccc(-c2ccc(OC[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000822823257 606851264 /nfs/dbraw/zinc/85/12/64/606851264.db2.gz NKYKYSFSEXEGGR-NRFANRHFSA-N -1 3 383.411 3.518 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513225 606867369 /nfs/dbraw/zinc/86/73/69/606867369.db2.gz XTZDZQCBENGZEZ-SNVBAGLBSA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513225 606867371 /nfs/dbraw/zinc/86/73/71/606867371.db2.gz XTZDZQCBENGZEZ-SNVBAGLBSA-N -1 3 387.321 3.675 20 30 GHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819744077 607197066 /nfs/dbraw/zinc/19/70/66/607197066.db2.gz VOBGZYUCYFQCQB-UHFFFAOYSA-N -1 3 398.854 3.749 20 30 GHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819744077 607197067 /nfs/dbraw/zinc/19/70/67/607197067.db2.gz VOBGZYUCYFQCQB-UHFFFAOYSA-N -1 3 398.854 3.749 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475541 607843172 /nfs/dbraw/zinc/84/31/72/607843172.db2.gz JFHZHVRGKKHYHM-YRNVUSSQSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475541 607843173 /nfs/dbraw/zinc/84/31/73/607843173.db2.gz JFHZHVRGKKHYHM-YRNVUSSQSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2c1c(Br)ccc2F ZINC000826475251 607983089 /nfs/dbraw/zinc/98/30/89/607983089.db2.gz AALGEXVCRRFYGF-XVNBXDOJSA-N -1 3 391.225 3.652 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2c1c(Br)ccc2F ZINC000826475251 607983090 /nfs/dbraw/zinc/98/30/90/607983090.db2.gz AALGEXVCRRFYGF-XVNBXDOJSA-N -1 3 391.225 3.652 20 30 GHEDHM N#Cc1ccnc(SCCCCCCSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000826387880 608111307 /nfs/dbraw/zinc/11/13/07/608111307.db2.gz WTHWMVYHTSPKHT-UHFFFAOYSA-N -1 3 397.533 3.973 20 30 GHEDHM N#Cc1ccnc(SCCCCCCSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000826387880 608111308 /nfs/dbraw/zinc/11/13/08/608111308.db2.gz WTHWMVYHTSPKHT-UHFFFAOYSA-N -1 3 397.533 3.973 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475449 608878527 /nfs/dbraw/zinc/87/85/27/608878527.db2.gz GJLRHBJEPIAWKJ-VOMDNODZSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475449 608878531 /nfs/dbraw/zinc/87/85/31/608878531.db2.gz GJLRHBJEPIAWKJ-VOMDNODZSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400455 609134087 /nfs/dbraw/zinc/13/40/87/609134087.db2.gz ZKLGGUJQYJBBMY-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400455 609134088 /nfs/dbraw/zinc/13/40/88/609134088.db2.gz ZKLGGUJQYJBBMY-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM CC(=NNc1ccccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963044 609159683 /nfs/dbraw/zinc/15/96/83/609159683.db2.gz UIBDSBXQGHAJSP-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1ccccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963044 609159685 /nfs/dbraw/zinc/15/96/85/609159685.db2.gz UIBDSBXQGHAJSP-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958083 609277037 /nfs/dbraw/zinc/27/70/37/609277037.db2.gz BFJBOKQBXDKLJT-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM CC(=NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958083 609277038 /nfs/dbraw/zinc/27/70/38/609277038.db2.gz BFJBOKQBXDKLJT-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM Cc1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000826257203 609307772 /nfs/dbraw/zinc/30/77/72/609307772.db2.gz RYOQHMLXIMZNMA-HJWRWDBZSA-N -1 3 390.472 3.842 20 30 GHEDHM Cc1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826257203 609307774 /nfs/dbraw/zinc/30/77/74/609307774.db2.gz RYOQHMLXIMZNMA-HJWRWDBZSA-N -1 3 390.472 3.842 20 30 GHEDHM C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824553554 609342542 /nfs/dbraw/zinc/34/25/42/609342542.db2.gz CTNRIFFKFFAPQV-LBPRGKRZSA-N -1 3 389.356 3.727 20 30 GHEDHM CC(C)(C#N)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000824058888 609357617 /nfs/dbraw/zinc/35/76/17/609357617.db2.gz HGAIPWSXKFIMIR-UHFFFAOYSA-N -1 3 379.445 3.724 20 30 GHEDHM CC(C)(C#N)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000824058888 609357619 /nfs/dbraw/zinc/35/76/19/609357619.db2.gz HGAIPWSXKFIMIR-UHFFFAOYSA-N -1 3 379.445 3.724 20 30 GHEDHM N#Cc1cccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1F ZINC000826386511 609477325 /nfs/dbraw/zinc/47/73/25/609477325.db2.gz HYMZXTCNAOCKJI-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM COc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc(OC)c1[O-] ZINC000186798361 837413369 /nfs/dbraw/zinc/41/33/69/837413369.db2.gz HHQKHIAVEGRBLW-ZDUSSCGKSA-N -1 3 381.215 3.711 20 30 GHEDHM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000659115225 837608603 /nfs/dbraw/zinc/60/86/03/837608603.db2.gz SPUYQJSHIUQGSM-CYBMUJFWSA-N -1 3 386.333 3.981 20 30 GHEDHM O=C(CN1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1)NC1CCCCC1 ZINC000329438972 835042944 /nfs/dbraw/zinc/04/29/44/835042944.db2.gz AUAAJDWQYIPSBU-UHFFFAOYSA-N -1 3 395.503 3.592 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCOCC1 ZINC000657129547 844141133 /nfs/dbraw/zinc/14/11/33/844141133.db2.gz SGCZFRLFEARZFL-UHFFFAOYSA-N -1 3 383.819 3.762 20 30 GHEDHM [O-]c1ccc(Br)cc1C=Nc1ccccc1CN1CCOCC1 ZINC000255213428 839796676 /nfs/dbraw/zinc/79/66/76/839796676.db2.gz VOZCRDWQXLONAH-UHFFFAOYSA-N -1 3 375.266 3.738 20 30 GHEDHM N#Cc1ccc(CN2CCCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000119395552 841582540 /nfs/dbraw/zinc/58/25/40/841582540.db2.gz WREKGWODCMIVRS-UHFFFAOYSA-N -1 3 385.467 3.765 20 30 GHEDHM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)C ZINC000728869157 843296119 /nfs/dbraw/zinc/29/61/19/843296119.db2.gz XZTIFOCTBQUVCY-UHFFFAOYSA-N -1 3 376.453 3.663 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(OC)cc2Cl)C1=O ZINC000731050628 861419555 /nfs/dbraw/zinc/41/95/55/861419555.db2.gz OZBHHRGCHRZXTG-LJQANCHMSA-N -1 3 395.887 3.664 20 30 GHEDHM Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c([O-])c1 ZINC000066965017 843591543 /nfs/dbraw/zinc/59/15/43/843591543.db2.gz KGOIDKYPTZQTCV-UHFFFAOYSA-N -1 3 382.470 3.968 20 30 GHEDHM Cc1nc(C(F)(F)F)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000512416857 843739646 /nfs/dbraw/zinc/73/96/46/843739646.db2.gz BDIXFXWDXZUSDW-UHFFFAOYSA-N -1 3 378.354 3.569 20 30 GHEDHM CCOc1cc(C=NNCCCOc2ccccc2)cc(Br)c1[O-] ZINC000729147797 844749681 /nfs/dbraw/zinc/74/96/81/844749681.db2.gz KQNSIULVKGZPLH-UHFFFAOYSA-N -1 3 393.281 3.946 20 30 GHEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)n1 ZINC000375681763 846700600 /nfs/dbraw/zinc/70/06/00/846700600.db2.gz YNXOERLSQRYTPA-UHFFFAOYSA-N -1 3 390.418 3.672 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329380229 847383176 /nfs/dbraw/zinc/38/31/76/847383176.db2.gz NKGHGEZLFIAICI-BFHYXJOUSA-N -1 3 379.386 3.506 20 30 GHEDHM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccc(C)cc1 ZINC000156342492 849847740 /nfs/dbraw/zinc/84/77/40/849847740.db2.gz FMFJOPGWGQIKJM-UHFFFAOYSA-N -1 3 384.427 3.600 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCCCC1 ZINC000514638782 850090473 /nfs/dbraw/zinc/09/04/73/850090473.db2.gz NINTWIBHKKYZRV-ZDUSSCGKSA-N -1 3 391.718 3.853 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1OCC(F)(F)F ZINC000515632652 851274428 /nfs/dbraw/zinc/27/44/28/851274428.db2.gz XKGIZGZLGWFOAY-UHFFFAOYSA-N -1 3 396.390 3.789 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)oc1C ZINC000054672966 851851652 /nfs/dbraw/zinc/85/16/52/851851652.db2.gz YASUMLRZNVNIKS-UHFFFAOYSA-N -1 3 390.443 3.707 20 30 GHEDHM C=C[C@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436821492 852391088 /nfs/dbraw/zinc/39/10/88/852391088.db2.gz KWXBSZJWXXYXNY-FPOVZHCZSA-N -1 3 378.472 3.821 20 30 GHEDHM CCCc1c([N-]S(=O)(=O)CCc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000438828076 852930717 /nfs/dbraw/zinc/93/07/17/852930717.db2.gz FOTFYDXZWHTCOK-UHFFFAOYSA-N -1 3 394.500 3.681 20 30 GHEDHM C=CCOCCCC(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000439174175 853369660 /nfs/dbraw/zinc/36/96/60/853369660.db2.gz VQYKOUYZMVQJDK-UHFFFAOYSA-N -1 3 398.688 3.836 20 30 GHEDHM COC(=O)C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccc(OC)cc1 ZINC000732770235 862484804 /nfs/dbraw/zinc/48/48/04/862484804.db2.gz YCZOUFQPLKTRAC-MBTVCVBTSA-N -1 3 392.249 3.887 20 30 GHEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000328815916 854547426 /nfs/dbraw/zinc/54/74/26/854547426.db2.gz OLCGEJZLKALDCI-NSHDSACASA-N -1 3 379.507 3.669 20 30 GHEDHM N#Cc1ccc(OCCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000057476130 855406701 /nfs/dbraw/zinc/40/67/01/855406701.db2.gz RWSVZKYMYKLDED-UHFFFAOYSA-N -1 3 389.440 3.564 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)c1C ZINC000128972104 856166535 /nfs/dbraw/zinc/16/65/35/856166535.db2.gz QUSQCLYCSBSDBY-QGZVFWFLSA-N -1 3 388.427 3.541 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000508067371 856855767 /nfs/dbraw/zinc/85/57/67/856855767.db2.gz JGLZBKOCZHZCNJ-INIZCTEOSA-N -1 3 379.363 3.621 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000172744287 857058301 /nfs/dbraw/zinc/05/83/01/857058301.db2.gz RCSCFUJBICIENS-GZRFBZBPSA-N -1 3 377.488 3.589 20 30 GHEDHM Cc1c2ccccc2oc1[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046650954 858157930 /nfs/dbraw/zinc/15/79/30/858157930.db2.gz LWXCPFOVUJFTOC-HNNXBMFYSA-N -1 3 377.444 3.728 20 30 GHEDHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000172871820 858340650 /nfs/dbraw/zinc/34/06/50/858340650.db2.gz BLJNKOQKXXDRLQ-LJQANCHMSA-N -1 3 379.504 3.584 20 30 GHEDHM N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000183446859 858747984 /nfs/dbraw/zinc/74/79/84/858747984.db2.gz QHJWXKGZYHIVKI-UHFFFAOYSA-N -1 3 383.411 3.855 20 30 GHEDHM CCCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483231603 859242720 /nfs/dbraw/zinc/24/27/20/859242720.db2.gz RKGWHEOJBXJQGC-SFHVURJKSA-N -1 3 386.455 3.992 20 30 GHEDHM N#CC(=C([O-])c1ccc2cc(I)ccc2n1)c1ccccn1 ZINC000483453009 859383689 /nfs/dbraw/zinc/38/36/89/859383689.db2.gz SEXOAONGRBLXAX-CYBMUJFWSA-N -1 3 399.191 3.724 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000598208429 860130538 /nfs/dbraw/zinc/13/05/38/860130538.db2.gz GBZXINGCRZSHLW-UHFFFAOYSA-N -1 3 378.259 3.832 20 30 GHEDHM COc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000598197318 860141206 /nfs/dbraw/zinc/14/12/06/860141206.db2.gz RZYHNRSPKCVWCF-IBGZPJMESA-N -1 3 397.450 3.720 20 30 GHEDHM N#Cc1cc(F)cc(C2(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)CC2)c1 ZINC000509055392 860715427 /nfs/dbraw/zinc/71/54/27/860715427.db2.gz GBQGSLNIPVUJQG-UHFFFAOYSA-N -1 3 387.374 3.899 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000156429783 860779919 /nfs/dbraw/zinc/77/99/19/860779919.db2.gz KPRIEOKLNLFSND-FQEVSTJZSA-N -1 3 391.515 3.810 20 30 GHEDHM CCCN(Cc1ccc(OC)cc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000603519263 860787216 /nfs/dbraw/zinc/78/72/16/860787216.db2.gz GUDHFDVPJUIMFU-UHFFFAOYSA-N -1 3 381.476 3.656 20 30 GHEDHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000509102497 861048104 /nfs/dbraw/zinc/04/81/04/861048104.db2.gz HRDJJWPNTYBAII-GUYCJALGSA-N -1 3 378.881 3.772 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC(F)(F)c2ccc(Br)cc2)c1[O-] ZINC000856718454 881684878 /nfs/dbraw/zinc/68/48/78/881684878.db2.gz LPYHEWCDAUMTKZ-IFRROFPPSA-N -1 3 385.208 3.561 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(Cc2ccccc2)CCCCC1 ZINC000186161611 864371874 /nfs/dbraw/zinc/37/18/74/864371874.db2.gz FOBVDCJQHVSRBU-UHFFFAOYSA-N -1 3 391.515 3.858 20 30 GHEDHM CC(C)c1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735927848 865053783 /nfs/dbraw/zinc/05/37/83/865053783.db2.gz CXCICACBKNLIMQ-UHFFFAOYSA-N -1 3 378.461 3.593 20 30 GHEDHM CC(C)c1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735927848 865053794 /nfs/dbraw/zinc/05/37/94/865053794.db2.gz CXCICACBKNLIMQ-UHFFFAOYSA-N -1 3 378.461 3.593 20 30 GHEDHM CCOc1ccc(F)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1F ZINC000534038010 866017833 /nfs/dbraw/zinc/01/78/33/866017833.db2.gz XLWXRTYQJPRQRX-UHFFFAOYSA-N -1 3 375.375 3.524 20 30 GHEDHM C#CCCCS(=O)(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)c1CC ZINC000840945521 866640338 /nfs/dbraw/zinc/64/03/38/866640338.db2.gz PISAXYUQCVTRMG-UHFFFAOYSA-N -1 3 396.310 3.557 20 30 GHEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000479158247 867256106 /nfs/dbraw/zinc/25/61/06/867256106.db2.gz PCAUFTKVSBKQAA-HZMBPMFUSA-N -1 3 391.718 3.853 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(Cl)ccc1Br ZINC000743436227 868206333 /nfs/dbraw/zinc/20/63/33/868206333.db2.gz TXYGDRFABOCONA-UHFFFAOYSA-N -1 3 387.686 3.556 20 30 GHEDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000445707920 868880944 /nfs/dbraw/zinc/88/09/44/868880944.db2.gz UKXZBTARUHWQNB-NSHDSACASA-N -1 3 388.333 3.832 20 30 GHEDHM CC(C)(C#N)CCCN1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000181400035 870983369 /nfs/dbraw/zinc/98/33/69/870983369.db2.gz GPOKBSGLEGDLPG-IAGOWNOFSA-N -1 3 399.432 3.992 20 30 GHEDHM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000103330054 871775500 /nfs/dbraw/zinc/77/55/00/871775500.db2.gz ZUCWMTHRVWJMMS-SFHVURJKSA-N -1 3 388.427 3.622 20 30 GHEDHM C=CC[C@@H]1N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCCC1(C)C ZINC000767228133 872338052 /nfs/dbraw/zinc/33/80/52/872338052.db2.gz MPVZANUYYKFWOF-SFHVURJKSA-N -1 3 396.528 3.719 20 30 GHEDHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000921138588 882624983 /nfs/dbraw/zinc/62/49/83/882624983.db2.gz SNPLOWRYNADXMH-HNNXBMFYSA-N -1 3 381.476 3.662 20 30 GHEDHM CCc1cccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1[O-] ZINC000527480343 873179218 /nfs/dbraw/zinc/17/92/18/873179218.db2.gz OHIMYKMWFRNWTI-LJQANCHMSA-N -1 3 383.879 3.631 20 30 GHEDHM CC(C)Oc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000921255858 882756034 /nfs/dbraw/zinc/75/60/34/882756034.db2.gz BMNCFJYWTAUEEU-SFHVURJKSA-N -1 3 396.472 3.749 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(-c4ccc(F)cc4F)n3)nc21 ZINC000464627939 874202310 /nfs/dbraw/zinc/20/23/10/874202310.db2.gz HKVMUFODSQXATB-ZDUSSCGKSA-N -1 3 377.354 3.825 20 30 GHEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000858080011 882823550 /nfs/dbraw/zinc/82/35/50/882823550.db2.gz BQBHULACYRZDQD-ZETCQYMHSA-N -1 3 398.271 3.927 20 30 GHEDHM C=C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000465106695 875104874 /nfs/dbraw/zinc/10/48/74/875104874.db2.gz GNJMVSMDMHBGHT-LBPRGKRZSA-N -1 3 396.871 3.893 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)nc2Cl)cc1C#N ZINC001201295483 875615795 /nfs/dbraw/zinc/61/57/95/875615795.db2.gz SNHLOUJIXUEFKG-UHFFFAOYSA-N -1 3 391.758 3.615 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000776280746 876168479 /nfs/dbraw/zinc/16/84/79/876168479.db2.gz XLRHYPHOXCGDBT-UHFFFAOYSA-N -1 3 388.379 3.852 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000130298336 883040502 /nfs/dbraw/zinc/04/05/02/883040502.db2.gz ONRQKFZBGKAJBS-ZDUSSCGKSA-N -1 3 387.779 3.526 20 30 GHEDHM COC(=O)[C@@](C)(C/N=C/c1cc(Br)ccc1[O-])c1ccccc1 ZINC000787141944 877193598 /nfs/dbraw/zinc/19/35/98/877193598.db2.gz RBXGDECIIOGEHG-PQFHHTBUSA-N -1 3 376.250 3.705 20 30 GHEDHM N#C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1c(Cl)cccc1Cl ZINC001183091841 912249457 /nfs/dbraw/zinc/24/94/57/912249457.db2.gz ONEHXYJMNVTDKQ-ZCFIWIBFSA-N -1 3 378.141 3.766 20 30 GHEDHM N#C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1c(Cl)cccc1Cl ZINC001183091841 912249472 /nfs/dbraw/zinc/24/94/72/912249472.db2.gz ONEHXYJMNVTDKQ-ZCFIWIBFSA-N -1 3 378.141 3.766 20 30 GHEDHM CCc1cc2c(CN3CCC[C@](C#N)(c4ccccn4)C3)cc(=O)oc2cc1[O-] ZINC000852330929 878248093 /nfs/dbraw/zinc/24/80/93/878248093.db2.gz UIEFFCZMLUBOCT-HSZRJFAPSA-N -1 3 389.455 3.513 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000180111582 878551832 /nfs/dbraw/zinc/55/18/32/878551832.db2.gz VMONFGDDXLKCNV-LJQANCHMSA-N -1 3 393.468 3.585 20 30 GHEDHM N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)sc2c1-c1ccccc1CC2 ZINC000531627092 880213917 /nfs/dbraw/zinc/21/39/17/880213917.db2.gz XPOCCUATDQVBFI-UHFFFAOYSA-N -1 3 376.397 3.941 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cnc(C2CCC2)s1 ZINC000760234529 884083457 /nfs/dbraw/zinc/08/34/57/884083457.db2.gz UNAJQPZHYDIUHZ-HNNXBMFYSA-N -1 3 399.501 3.686 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc2oc(=O)[nH]c2c1 ZINC000805855436 884149311 /nfs/dbraw/zinc/14/93/11/884149311.db2.gz IYWCKKXLTLXIKX-SNVBAGLBSA-N -1 3 390.182 3.801 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3OCC#N)cc2)cc(=O)[n-]1 ZINC000760485857 884162826 /nfs/dbraw/zinc/16/28/26/884162826.db2.gz NKTHGOBDQRPMDC-UHFFFAOYSA-N -1 3 393.378 3.843 20 30 GHEDHM C=CCC(C)(C)c1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000556363664 884634344 /nfs/dbraw/zinc/63/43/44/884634344.db2.gz JFNKKXIALJFBMT-UHFFFAOYSA-N -1 3 390.440 3.858 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919329087 885345609 /nfs/dbraw/zinc/34/56/09/885345609.db2.gz UUPXKDUXIRMAOJ-CQSZACIVSA-N -1 3 399.472 3.800 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919329087 885345628 /nfs/dbraw/zinc/34/56/28/885345628.db2.gz UUPXKDUXIRMAOJ-CQSZACIVSA-N -1 3 399.472 3.800 20 30 GHEDHM C=C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC001131135084 885952751 /nfs/dbraw/zinc/95/27/51/885952751.db2.gz WPJSTZBGYFERNL-KRWDZBQOSA-N -1 3 391.464 3.987 20 30 GHEDHM Cc1cc(C)cc(OCC2N=NC(=S)N2N=Cc2c(F)ccc([O-])c2F)c1 ZINC000794487871 886891732 /nfs/dbraw/zinc/89/17/32/886891732.db2.gz FECFCGRJWKOEFL-UHFFFAOYSA-N -1 3 390.415 3.629 20 30 GHEDHM COc1cc(/C=C2/COc3cc(F)ccc3C2=O)cc(Br)c1[O-] ZINC000794729091 887954403 /nfs/dbraw/zinc/95/44/03/887954403.db2.gz XTNLZFDSKZTRQI-WMZJFQQLSA-N -1 3 379.181 3.961 20 30 GHEDHM CCC(CC)(C/N=C/c1c([O-])c(C)ncc1CO)c1ccc(OC)c(OC)c1 ZINC000763360385 888785769 /nfs/dbraw/zinc/78/57/69/888785769.db2.gz AANVSNCHHLSFBG-FSJBWODESA-N -1 3 386.492 3.782 20 30 GHEDHM CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794934522 888950743 /nfs/dbraw/zinc/95/07/43/888950743.db2.gz SXVBTLUBCLRDOM-LUAWRHEFSA-N -1 3 395.427 3.597 20 30 GHEDHM C=CC[C@@H](CC)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868575087 889509136 /nfs/dbraw/zinc/50/91/36/889509136.db2.gz YLBNFSHKXHCHSL-ZIAGYGMSSA-N -1 3 383.414 3.723 20 30 GHEDHM C=CCOc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000811515235 889712001 /nfs/dbraw/zinc/71/20/01/889712001.db2.gz WTCWJZJFQIWYMT-CQSZACIVSA-N -1 3 390.833 3.795 20 30 GHEDHM N#Cc1cc(Oc2ccc(NC(=O)c3nnc4ccccc4c3[O-])cc2)ccn1 ZINC000811612892 889814338 /nfs/dbraw/zinc/81/43/38/889814338.db2.gz MPZOCESOKVGARJ-UHFFFAOYSA-N -1 3 383.367 3.647 20 30 GHEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC000870313997 890308754 /nfs/dbraw/zinc/30/87/54/890308754.db2.gz CWLQEERNBJYMPX-FCEWJHQRSA-N -1 3 386.455 3.733 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1 ZINC000916898957 890342965 /nfs/dbraw/zinc/34/29/65/890342965.db2.gz HBCIVFUWIYZBBY-INIZCTEOSA-N -1 3 395.415 3.689 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000812232005 890422797 /nfs/dbraw/zinc/42/27/97/890422797.db2.gz OIKAMRVCZIUOON-UHFFFAOYSA-N -1 3 383.473 3.632 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)cnc1C ZINC000873497394 891655831 /nfs/dbraw/zinc/65/58/31/891655831.db2.gz KFDNFJHRRKADKG-AWEZNQCLSA-N -1 3 391.349 3.769 20 30 GHEDHM CC1(C)CCc2sc([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c(C#N)c21 ZINC001133938771 891997522 /nfs/dbraw/zinc/99/75/22/891997522.db2.gz OYDUYNZLGGWGJF-UHFFFAOYSA-N -1 3 385.401 3.733 20 30 GHEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ncc(Br)cn1 ZINC000814184191 892380223 /nfs/dbraw/zinc/38/02/23/892380223.db2.gz XMLMRRSYJGLNFB-BOCQLUCNSA-N -1 3 385.059 3.887 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@](C)(=O)c1cccc(Cl)c1 ZINC001134406641 892775847 /nfs/dbraw/zinc/77/58/47/892775847.db2.gz WGXUMRILLGTCNI-AREMUKBSSA-N -1 3 391.880 3.545 20 30 GHEDHM C=CCCCCCCNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000288337972 913735090 /nfs/dbraw/zinc/73/50/90/913735090.db2.gz UTRCHSWWAXDAHN-UHFFFAOYSA-N -1 3 396.491 3.603 20 30 GHEDHM CCN(CC)c1nc2sc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2s1 ZINC000126331056 893481070 /nfs/dbraw/zinc/48/10/70/893481070.db2.gz LEYPMQLELBHXKR-NSHDSACASA-N -1 3 399.501 3.560 20 30 GHEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000129701103 893853387 /nfs/dbraw/zinc/85/33/87/893853387.db2.gz CDSNLQWQASLKFF-UHFFFAOYSA-N -1 3 391.427 3.571 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)OCC)cn2)cc1 ZINC000815907929 894283951 /nfs/dbraw/zinc/28/39/51/894283951.db2.gz OJDSDNWVAJXBNX-GOSISDBHSA-N -1 3 393.443 3.562 20 30 GHEDHM O=C(N[C@H]1CCN([O-])C1=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000816695562 895026015 /nfs/dbraw/zinc/02/60/15/895026015.db2.gz FVDIIXZODPDABD-KRWDZBQOSA-N -1 3 396.468 3.586 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)cn2)cc1 ZINC000817714819 895861802 /nfs/dbraw/zinc/86/18/02/895861802.db2.gz XHRHWJQASSAOFC-KRWDZBQOSA-N -1 3 393.443 3.517 20 30 GHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)co2)cc1 ZINC000826273444 896864610 /nfs/dbraw/zinc/86/46/10/896864610.db2.gz DUSKVXXLTRBEBO-VQHVLOKHSA-N -1 3 375.363 3.865 20 30 GHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)co2)cc1 ZINC000826273444 896864622 /nfs/dbraw/zinc/86/46/22/896864622.db2.gz DUSKVXXLTRBEBO-VQHVLOKHSA-N -1 3 375.363 3.865 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000882647924 896881465 /nfs/dbraw/zinc/88/14/65/896881465.db2.gz OPWWYZGBWHLYMD-UHFFFAOYSA-N -1 3 396.466 3.976 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(C)nc(Cl)c1 ZINC000778605011 897314763 /nfs/dbraw/zinc/31/47/63/897314763.db2.gz PGCIGOKTMYRDEB-LBPRGKRZSA-N -1 3 392.242 3.975 20 30 GHEDHM C[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785423 898298202 /nfs/dbraw/zinc/29/82/02/898298202.db2.gz IICJEJGAOVHHEE-ZQIUZPCESA-N -1 3 381.442 3.765 20 30 GHEDHM N#CCCN(C(=O)c1cc2sccc2c([O-])c1)c1ccc2c(c1)OCCO2 ZINC001136612521 898541517 /nfs/dbraw/zinc/54/15/17/898541517.db2.gz KMWXWDVSRDVXOO-UHFFFAOYSA-N -1 3 380.425 3.939 20 30 GHEDHM N#Cc1ccc(Sc2ncc(-c3nnn[n-]3)cc2Cl)cc1C(F)(F)F ZINC000826386122 899108941 /nfs/dbraw/zinc/10/89/41/899108941.db2.gz PUQKHRSMUZRNPI-UHFFFAOYSA-N -1 3 382.758 3.957 20 30 GHEDHM N#Cc1ccc(Sc2ncc(-c3nn[n-]n3)cc2Cl)cc1C(F)(F)F ZINC000826386122 899108945 /nfs/dbraw/zinc/10/89/45/899108945.db2.gz PUQKHRSMUZRNPI-UHFFFAOYSA-N -1 3 382.758 3.957 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccncc1 ZINC000826401172 899749301 /nfs/dbraw/zinc/74/93/01/899749301.db2.gz RLEACNCTNGPPJN-CMDGGOBGSA-N -1 3 383.411 3.737 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccncc1 ZINC000826401172 899749310 /nfs/dbraw/zinc/74/93/10/899749310.db2.gz RLEACNCTNGPPJN-CMDGGOBGSA-N -1 3 383.411 3.737 20 30 GHEDHM C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824897877 899864891 /nfs/dbraw/zinc/86/48/91/899864891.db2.gz CFAVURJVHDFJJU-BYCMXARLSA-N -1 3 378.461 3.603 20 30 GHEDHM C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824897877 899864898 /nfs/dbraw/zinc/86/48/98/899864898.db2.gz CFAVURJVHDFJJU-BYCMXARLSA-N -1 3 378.461 3.603 20 30 GHEDHM C#CC[C@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000843998941 900435016 /nfs/dbraw/zinc/43/50/16/900435016.db2.gz JYXGLINEGHMRIA-PGRDOPGGSA-N -1 3 390.483 3.515 20 30 GHEDHM CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000575900788 901449762 /nfs/dbraw/zinc/44/97/62/901449762.db2.gz NVACDMJHSYPEEX-UHFFFAOYSA-N -1 3 389.443 3.877 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])COCc1nc2ccccc2s1 ZINC000845836418 902447660 /nfs/dbraw/zinc/44/76/60/902447660.db2.gz JOBFNEMUFBUYIU-INIZCTEOSA-N -1 3 390.464 3.823 20 30 GHEDHM N#CC(C(=O)COCc1nc2ccccc2s1)=C([O-])C1(c2ccccc2)CC1 ZINC000845836418 902447667 /nfs/dbraw/zinc/44/76/67/902447667.db2.gz JOBFNEMUFBUYIU-INIZCTEOSA-N -1 3 390.464 3.823 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000845842496 902459343 /nfs/dbraw/zinc/45/93/43/902459343.db2.gz UHHRKVHZUIQMED-GBESFXJTSA-N -1 3 387.435 3.571 20 30 GHEDHM Cc1cnn(Cc2cc(C(=O)[N-]c3ccccc3S[C@H](C)CC#N)no2)c1 ZINC000132849382 903317162 /nfs/dbraw/zinc/31/71/62/903317162.db2.gz PHWGAEDDNLMLOY-CQSZACIVSA-N -1 3 381.461 3.874 20 30 GHEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000151461812 904138328 /nfs/dbraw/zinc/13/83/28/904138328.db2.gz NCAMHBOXXMDRDU-AWEZNQCLSA-N -1 3 389.424 3.637 20 30 GHEDHM C=CCC[C@@H](NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000290731011 914801203 /nfs/dbraw/zinc/80/12/03/914801203.db2.gz MZJZOLQAQPSUFH-NVXWUHKLSA-N -1 3 397.441 3.794 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1-c1ccc(F)cc1 ZINC000777302332 905717661 /nfs/dbraw/zinc/71/76/61/905717661.db2.gz KZMHMXWQNFRMEZ-HNNXBMFYSA-N -1 3 396.809 3.934 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2cn(C(C)C)nn2)cc(Br)c1[O-] ZINC000901524189 921201645 /nfs/dbraw/zinc/20/16/45/921201645.db2.gz JCWVKZUQFSOZNY-WAYWQWQTSA-N -1 3 380.242 3.622 20 30 GHEDHM Cn1cc([C@@H]([N-]C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)C(F)(F)F)cn1 ZINC000801699426 921398155 /nfs/dbraw/zinc/39/81/55/921398155.db2.gz ALCJDGWSRSZLPZ-NWDGAFQWSA-N -1 3 383.267 3.869 20 30 GHEDHM CC(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000299532444 921419339 /nfs/dbraw/zinc/41/93/39/921419339.db2.gz OISKVEPHAUCILM-UHFFFAOYSA-N -1 3 391.471 3.878 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000299569048 921457764 /nfs/dbraw/zinc/45/77/64/921457764.db2.gz GMHKLGOVIXCUFX-LJQANCHMSA-N -1 3 377.488 3.832 20 30 GHEDHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(C#N)c2)c1 ZINC001189232710 916482156 /nfs/dbraw/zinc/48/21/56/916482156.db2.gz RQOPOUQTHFDURP-UHFFFAOYSA-N -1 3 383.473 3.552 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc(C(F)(F)F)c1 ZINC001189688697 916809464 /nfs/dbraw/zinc/80/94/64/916809464.db2.gz SHPJCVWJNOTORO-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000297967104 920031729 /nfs/dbraw/zinc/03/17/29/920031729.db2.gz WEABJOHOEXVJFW-VHSXEESVSA-N -1 3 396.472 3.706 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC000297967108 920033339 /nfs/dbraw/zinc/03/33/39/920033339.db2.gz WEABJOHOEXVJFW-ZJUUUORDSA-N -1 3 396.472 3.706 20 30 GHEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1C1CCOCC1 ZINC000901379039 921055068 /nfs/dbraw/zinc/05/50/68/921055068.db2.gz PEOMBZGMFUWBMB-UHFFFAOYSA-N -1 3 384.263 3.881 20 30 GHEDHM CCn1c2ccccc2n(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1=O ZINC000901379904 921056816 /nfs/dbraw/zinc/05/68/16/921056816.db2.gz IDQDRSYJNMWSRX-UHFFFAOYSA-N -1 3 394.258 3.548 20 30 GHEDHM Cc1nsc([N-]C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)c1C#N ZINC000410808957 925850540 /nfs/dbraw/zinc/85/05/40/925850540.db2.gz DVWDYIWSGBYSFL-UHFFFAOYSA-N -1 3 381.461 3.796 20 30 GHEDHM CC[C@H]([N-]C(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(F)(F)F ZINC000682599622 926173087 /nfs/dbraw/zinc/17/30/87/926173087.db2.gz PCQWXAHJMIUSQO-VIFPVBQESA-N -1 3 392.246 3.736 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccccc1C1CC1 ZINC000751129898 928042189 /nfs/dbraw/zinc/04/21/89/928042189.db2.gz POTYQPDBXUJTQX-GOSISDBHSA-N -1 3 378.457 3.839 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(CC)ccc2CC)ccc1F ZINC000752149529 928640379 /nfs/dbraw/zinc/64/03/79/928640379.db2.gz HUMVDSGGDSEHKD-UHFFFAOYSA-N -1 3 390.480 3.667 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)nc(C(F)F)n4C)nc1-2 ZINC000467206081 928823706 /nfs/dbraw/zinc/82/37/06/928823706.db2.gz JTPPQLDJLGZTEG-NSHDSACASA-N -1 3 380.358 3.581 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccccc2OC(F)F)no1 ZINC000546293366 930028213 /nfs/dbraw/zinc/02/82/13/930028213.db2.gz HMTYRDRRHYQBCN-UHFFFAOYSA-N -1 3 386.358 3.712 20 30 GHEDHM C#Cc1cccc(NC(=O)CN(C)Cc2cc(C)cc(Br)c2[O-])c1 ZINC000781902746 931020177 /nfs/dbraw/zinc/02/01/77/931020177.db2.gz UBJGCOPVHPPRJM-UHFFFAOYSA-N -1 3 387.277 3.515 20 30 GHEDHM Cc1nc(F)ccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000782221800 931126840 /nfs/dbraw/zinc/12/68/40/931126840.db2.gz UGQNQEACFRNMDB-UHFFFAOYSA-N -1 3 384.436 3.776 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cccc2cnccc12 ZINC000782899056 931361128 /nfs/dbraw/zinc/36/11/28/931361128.db2.gz PTEGJGFAJCLUFG-SFHVURJKSA-N -1 3 389.440 3.510 20 30 GHEDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccc(C#N)cc1Cl ZINC000784339310 931862702 /nfs/dbraw/zinc/86/27/02/931862702.db2.gz GMQNULKVHACYKC-UHFFFAOYSA-N -1 3 379.243 3.746 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc([C@@H]3CCCOC3)nc2C)cc1 ZINC000796742771 932050591 /nfs/dbraw/zinc/05/05/91/932050591.db2.gz CUEHUQYYLGZWNF-NVXWUHKLSA-N -1 3 397.500 3.869 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001121607924 934713624 /nfs/dbraw/zinc/71/36/24/934713624.db2.gz QBTBINWOUMWEDM-OAHLLOKOSA-N -1 3 396.882 3.582 20 30 GHEDHM C#CCSc1ccc(COC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573289965 946895573 /nfs/dbraw/zinc/89/55/73/946895573.db2.gz SAWVXUDODMBNBF-OAHLLOKOSA-N -1 3 392.484 3.514 20 30 GHEDHM C#CCSc1ccc(COC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573289965 946895582 /nfs/dbraw/zinc/89/55/82/946895582.db2.gz SAWVXUDODMBNBF-OAHLLOKOSA-N -1 3 392.484 3.514 20 30 GHEDHM C=CCCC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001573334187 947448592 /nfs/dbraw/zinc/44/85/92/947448592.db2.gz AJJOCKFKGWMXLG-QGZVFWFLSA-N -1 3 377.448 3.954 20 30 GHEDHM C=CCCC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001573334187 947448598 /nfs/dbraw/zinc/44/85/98/947448598.db2.gz AJJOCKFKGWMXLG-QGZVFWFLSA-N -1 3 377.448 3.954 20 30 GHEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1(CC)CCCC1 ZINC001573341469 947533021 /nfs/dbraw/zinc/53/30/21/947533021.db2.gz NJBAKPLYRKYPOJ-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1(CC)CCCC1 ZINC001573341469 947533027 /nfs/dbraw/zinc/53/30/27/947533027.db2.gz NJBAKPLYRKYPOJ-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C[C@H](C#N)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001589335767 986214502 /nfs/dbraw/zinc/21/45/02/986214502.db2.gz TZSYFRTYVKWESU-SJKOYZFVSA-N -1 3 378.350 3.912 20 30 GHEDHM C[C@@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593299332 994721547 /nfs/dbraw/zinc/72/15/47/994721547.db2.gz RQCGQYKYFMGUAX-SFHVURJKSA-N -1 3 379.243 3.985 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155996914 1032830744 /nfs/dbraw/zinc/83/07/44/1032830744.db2.gz VRXJPFIYEFBNJH-UHFFFAOYSA-N -1 3 389.440 3.836 20 30 GHEDHM N#Cc1cccnc1N1CCC(Oc2cc(-c3ccccc3)nc(=S)[n-]2)CC1 ZINC001228346578 1032901222 /nfs/dbraw/zinc/90/12/22/1032901222.db2.gz KIBATTLCVZZTHN-UHFFFAOYSA-N -1 3 389.484 3.747 20 30 GHEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3cc(F)c([O-])c(F)c3)CC2)C1 ZINC001140988397 1023091538 /nfs/dbraw/zinc/09/15/38/1023091538.db2.gz ZATJTGNLZMBCJQ-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM CN1CCN(c2ccc(Nc3ccc([O-])c(C(F)(F)F)c3)cc2C#N)CC1 ZINC001209986030 1027302735 /nfs/dbraw/zinc/30/27/35/1027302735.db2.gz RMOJALHJKIHYRE-UHFFFAOYSA-N -1 3 376.382 3.778 20 30 GHEDHM Cc1cc(CN=Cc2c([O-])c(C)ncc2CO)cc(NC(=O)OC(C)(C)C)c1 ZINC000840708090 1027748857 /nfs/dbraw/zinc/74/88/57/1027748857.db2.gz CCXZAXUVTCJFKV-JJFYIABZSA-N -1 3 385.464 3.862 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3cccc(F)c3[nH]2)c(C)c1[O-] ZINC001150763289 1030647531 /nfs/dbraw/zinc/64/75/31/1030647531.db2.gz LPFBUYHYMTWRCA-UHFFFAOYSA-N -1 3 381.363 3.622 20 30 GHEDHM N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152448674 1031246202 /nfs/dbraw/zinc/24/62/02/1031246202.db2.gz MFTVDKGIVYERIE-UHFFFAOYSA-N -1 3 391.383 3.813 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3c(Cl)cc[nH]c-3n2)c(C)c1[O-] ZINC001153024297 1031434680 /nfs/dbraw/zinc/43/46/80/1031434680.db2.gz UNXGXAXJAYUBOJ-UHFFFAOYSA-N -1 3 398.806 3.531 20 30 GHEDHM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@H]3CNCc4ccsc43)c2)c1 ZINC001219828975 1031644671 /nfs/dbraw/zinc/64/46/71/1031644671.db2.gz JFURJJGNHKZVGF-IBGZPJMESA-N -1 3 375.453 3.567 20 30 GHEDHM COc1ccc(C2=CCN(c3nc(SC)nc(Cl)c3/C=N/[O-])CC2)cc1 ZINC001157725161 1033741138 /nfs/dbraw/zinc/74/11/38/1033741138.db2.gz HVUBRGCATHOCBI-RGVLZGJSSA-N -1 3 390.896 3.962 20 30 GHEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CCCN(C)C2)c1OC ZINC001230439744 1034058175 /nfs/dbraw/zinc/05/81/75/1034058175.db2.gz HAVDJBSVYWLYDH-FLVLSHQESA-N -1 3 397.471 3.779 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC001159642168 1034701588 /nfs/dbraw/zinc/70/15/88/1034701588.db2.gz UMAKOSXVGQLOKO-ZDUSSCGKSA-N -1 3 395.242 3.896 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1Oc1ccccc1 ZINC001208923887 1035091175 /nfs/dbraw/zinc/09/11/75/1035091175.db2.gz KOXCEVIJFDTGNG-OAHLLOKOSA-N -1 3 379.441 3.785 20 30 GHEDHM O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785475 1035301768 /nfs/dbraw/zinc/30/17/68/1035301768.db2.gz XHMAFSUWOMYLIJ-KDOFPFPSSA-N -1 3 377.227 3.621 20 30 GHEDHM CN1C(=O)C[C@H](C(=O)N([O-])CCCCc2ccccc2)[C@H]1c1cccc(F)c1 ZINC001161819424 1035308405 /nfs/dbraw/zinc/30/84/05/1035308405.db2.gz TUKZIZBNDPRRCW-PZJWPPBQSA-N -1 3 384.451 3.586 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001161826876 1035310264 /nfs/dbraw/zinc/31/02/64/1035310264.db2.gz NZGYXTSRDVNPRN-ZDUSSCGKSA-N -1 3 383.286 3.600 20 30 GHEDHM O=C(c1nn(-c2ccccc2)cc1Br)N([O-])Cc1ccc(F)cc1 ZINC001161849327 1035314933 /nfs/dbraw/zinc/31/49/33/1035314933.db2.gz OLVKWQWRLSRKLF-UHFFFAOYSA-N -1 3 390.212 3.806 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2[O-])C[C@@H]1C(F)(F)F ZINC001233387410 1039211245 /nfs/dbraw/zinc/21/12/45/1039211245.db2.gz ICHSAGVZARSQCG-GJZGRUSLSA-N -1 3 399.413 3.541 20 30 GHEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC001233525906 1039412380 /nfs/dbraw/zinc/41/23/80/1039412380.db2.gz YQXIDTZRGINPDW-CQSZACIVSA-N -1 3 386.249 3.598 20 30 GHEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001233530891 1039416111 /nfs/dbraw/zinc/41/61/11/1039416111.db2.gz ONXGOSLPEBTABT-CYBMUJFWSA-N -1 3 375.881 3.936 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1OC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001233803946 1039629088 /nfs/dbraw/zinc/62/90/88/1039629088.db2.gz VNEYTWYGYUGXOB-NVAXRVGSSA-N -1 3 395.411 3.771 20 30 GHEDHM CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234511908 1040089950 /nfs/dbraw/zinc/08/99/50/1040089950.db2.gz YOTAUBVEDWFXNV-SHTZXODSSA-N -1 3 398.463 3.764 20 30 GHEDHM CC[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cc(OC)c(OC)c(OC)c1 ZINC001234512219 1040090262 /nfs/dbraw/zinc/09/02/62/1040090262.db2.gz BNCNNVXWEFIPIE-OAHLLOKOSA-N -1 3 395.415 3.763 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC)cc2)c(F)c1 ZINC001255211085 1040906643 /nfs/dbraw/zinc/90/66/43/1040906643.db2.gz JYGWXZHEKLUEDA-UHFFFAOYSA-N -1 3 377.437 3.922 20 30 GHEDHM C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cc(Cl)nc(Cl)c1[O-])C2 ZINC001237521857 1042248487 /nfs/dbraw/zinc/24/84/87/1042248487.db2.gz VIMMNCNYPUNSDJ-KDOFPFPSSA-N -1 3 387.307 3.668 20 30 GHEDHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)[C@@H](O)c1c(F)cccc1F ZINC001294811548 1044807225 /nfs/dbraw/zinc/80/72/25/1044807225.db2.gz OSMCULSRCHBXGY-DOTOQJQBSA-N -1 3 380.341 3.557 20 30 GHEDHM N#Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2)cc1 ZINC001259349635 1045093877 /nfs/dbraw/zinc/09/38/77/1045093877.db2.gz VVJDXBXNSICIDO-UHFFFAOYSA-N -1 3 376.437 3.961 20 30 GHEDHM COc1ccc(OCCCS(=O)(=O)[N-]c2ccc(C#N)c3ccccc23)cc1 ZINC001259642371 1045256363 /nfs/dbraw/zinc/25/63/63/1045256363.db2.gz LAGNNYZLWCRQLK-UHFFFAOYSA-N -1 3 396.468 3.931 20 30 GHEDHM COc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2ccc(C#N)cc2)nc1 ZINC001260046019 1045370696 /nfs/dbraw/zinc/37/06/96/1045370696.db2.gz YRLSUJPZTCSKNB-UHFFFAOYSA-N -1 3 379.441 3.571 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CCCC1 ZINC001260981999 1045796715 /nfs/dbraw/zinc/79/67/15/1045796715.db2.gz BDUJRZQUKRHBKY-UHFFFAOYSA-N -1 3 381.501 3.838 20 30 GHEDHM CC(C)C(=O)Nc1ccc(Cl)c(C([O-])=C(C#N)c2ncc(Cl)n2C)c1 ZINC001263616169 1046998621 /nfs/dbraw/zinc/99/86/21/1046998621.db2.gz PNEZNGYHGPFEPC-GFCCVEGCSA-N -1 3 379.247 3.811 20 30 GHEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001303872731 1047525116 /nfs/dbraw/zinc/52/51/16/1047525116.db2.gz XXZFMQCZTNPYJR-UHFFFAOYSA-N -1 3 379.847 3.804 20 30 GHEDHM CCCCCCN([O-])C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001306896729 1048949787 /nfs/dbraw/zinc/94/97/87/1048949787.db2.gz KMQBMPLPPCOCKZ-UHFFFAOYSA-N -1 3 388.262 3.592 20 30 GHEDHM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC001309768943 1050964720 /nfs/dbraw/zinc/96/47/20/1050964720.db2.gz VLJTXZXVFVMBAX-UHFFFAOYSA-N -1 3 397.294 3.690 20 30 GHEDHM CN(C)Cc1cc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)no1 ZINC001334723843 1051968490 /nfs/dbraw/zinc/96/84/90/1051968490.db2.gz HJBMQFNLRWTYON-UHFFFAOYSA-N -1 3 378.457 3.687 20 30 GHEDHM COC[C@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccsc1 ZINC001337156523 1052410818 /nfs/dbraw/zinc/41/08/18/1052410818.db2.gz XTTQDMLARUBUQC-LBPRGKRZSA-N -1 3 389.502 3.507 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2sccc2[C@@H]1CC ZINC001342523032 1053216203 /nfs/dbraw/zinc/21/62/03/1053216203.db2.gz OYIVGQCZNXNHME-INIZCTEOSA-N -1 3 396.520 3.901 20 30 GHEDHM N#CC(=C([O-])c1nc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccncn1 ZINC001342580040 1053250964 /nfs/dbraw/zinc/25/09/64/1053250964.db2.gz HMIWMGVXICYWGQ-INIZCTEOSA-N -1 3 375.407 3.696 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCO2)c1[O-] ZINC001343340140 1053713788 /nfs/dbraw/zinc/71/37/88/1053713788.db2.gz GJWQDFMSGLPBCZ-WMZOPIPTSA-N -1 3 395.507 3.544 20 30 GHEDHM Cn1ccnc1C(C#N)=C([O-])c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC001343842411 1054061824 /nfs/dbraw/zinc/06/18/24/1054061824.db2.gz MEDRQWXDGUKXPL-AWEZNQCLSA-N -1 3 377.448 3.912 20 30 GHEDHM CC(C)(C)c1ccc(N2CCC(/N=C3/[N-]S(=O)(=O)c4ccccc43)CC2)cc1 ZINC001317965549 1054331784 /nfs/dbraw/zinc/33/17/84/1054331784.db2.gz DTIPJSXNNHPGPZ-UHFFFAOYSA-N -1 3 397.544 3.692 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001355958679 1057333784 /nfs/dbraw/zinc/33/37/84/1057333784.db2.gz RKERFCYZLRBSFT-QGZVFWFLSA-N -1 3 390.491 3.628 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccncc3)s2)cc1 ZINC001356041824 1057366899 /nfs/dbraw/zinc/36/68/99/1057366899.db2.gz GPLDEGFLPZSUSH-INIZCTEOSA-N -1 3 376.441 3.729 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001340267844 1059804146 /nfs/dbraw/zinc/80/41/46/1059804146.db2.gz IWKINCGZXRJRQM-CABCVRRESA-N -1 3 397.504 3.594 20 30 GHEDHM Cc1csc([N-]C(=O)c2nn(C)c(C(F)(F)F)c2Br)c1C#N ZINC001340739062 1060086246 /nfs/dbraw/zinc/08/62/46/1060086246.db2.gz LJSCOWAXDRSPIM-UHFFFAOYSA-N -1 3 393.188 3.695 20 30 GHEDHM O=C(c1nc[nH]c1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC001457999364 1063497274 /nfs/dbraw/zinc/49/72/74/1063497274.db2.gz WTFAKWSSBUOQNX-UHFFFAOYSA-N -1 3 390.226 3.979 20 30 GHEDHM CC(C)(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000847623643 1065778962 /nfs/dbraw/zinc/77/89/62/1065778962.db2.gz CWQRHIDDYLVULM-LLVKDONJSA-N -1 3 379.247 3.906 20 30 GHEDHM O=C([N-]Cc1nc(C(F)F)no1)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001469258114 1068067797 /nfs/dbraw/zinc/06/77/97/1068067797.db2.gz WZJMIXXIJUDKIE-WTKPLQERSA-N -1 3 383.223 3.792 20 30 GHEDHM O=C(c1ccccc1[S@@](=O)C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC001472620181 1073580948 /nfs/dbraw/zinc/58/09/48/1073580948.db2.gz RTQAVOXIVYJQOT-XMMPIXPASA-N -1 3 377.771 3.999 20 30 GHEDHM CS(=O)(=O)CC[C@H](C(=O)N([O-])Cc1cccc2ccccc21)c1ccccc1 ZINC001472622395 1073581759 /nfs/dbraw/zinc/58/17/59/1073581759.db2.gz KBVWZPQLIUVQIY-NRFANRHFSA-N -1 3 397.496 3.776 20 30 GHEDHM Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)N([O-])Cc4ccc(F)cc4)c3)cc21 ZINC001472622359 1073582051 /nfs/dbraw/zinc/58/20/51/1073582051.db2.gz JXXKFORJGFXNML-UHFFFAOYSA-N -1 3 392.390 3.512 20 30 GHEDHM N#Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC001475489586 1074893154 /nfs/dbraw/zinc/89/31/54/1074893154.db2.gz VIIFBIMRDDYWKW-UHFFFAOYSA-N -1 3 388.798 3.751 20 30 GHEDHM C[C@@H](CC#N)OC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735977662 598857879 /nfs/dbraw/zinc/85/78/79/598857879.db2.gz WJSZDRHIRADFIU-ZDUSSCGKSA-N -1 3 379.445 3.618 20 30 GHEDHM C[C@@H](CC#N)OC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735977662 598857881 /nfs/dbraw/zinc/85/78/81/598857881.db2.gz WJSZDRHIRADFIU-ZDUSSCGKSA-N -1 3 379.445 3.618 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000735391343 598925455 /nfs/dbraw/zinc/92/54/55/598925455.db2.gz QDKHBVRGBJWLPX-UHFFFAOYSA-N -1 3 395.422 3.679 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000735391343 598925456 /nfs/dbraw/zinc/92/54/56/598925456.db2.gz QDKHBVRGBJWLPX-UHFFFAOYSA-N -1 3 395.422 3.679 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1-c1nnn[n-]1 ZINC000737718874 598928888 /nfs/dbraw/zinc/92/88/88/598928888.db2.gz NPYVONFLMHGUJG-UHFFFAOYSA-N -1 3 378.395 3.562 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1-c1nn[n-]n1 ZINC000737718874 598928889 /nfs/dbraw/zinc/92/88/89/598928889.db2.gz NPYVONFLMHGUJG-UHFFFAOYSA-N -1 3 378.395 3.562 20 30 GHEDHM N#Cc1ccccc1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737727763 598980450 /nfs/dbraw/zinc/98/04/50/598980450.db2.gz RYNQUCNAOFNJEK-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CCc1ccccc1F ZINC000819744030 599145241 /nfs/dbraw/zinc/14/52/41/599145241.db2.gz UGFQAVJDLDXHGF-INIZCTEOSA-N -1 3 393.466 3.789 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)CCc1ccccc1F ZINC000819744030 599145243 /nfs/dbraw/zinc/14/52/43/599145243.db2.gz UGFQAVJDLDXHGF-INIZCTEOSA-N -1 3 393.466 3.789 20 30 GHEDHM COc1ccc(C=C2COc3ccc(C(C)C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737081072 599154790 /nfs/dbraw/zinc/15/47/90/599154790.db2.gz BGGGDSHJYLRSGF-OVCLIPMQSA-N -1 3 376.416 3.657 20 30 GHEDHM COc1ccc(C=C2COc3ccc(C(C)C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737081072 599154793 /nfs/dbraw/zinc/15/47/93/599154793.db2.gz BGGGDSHJYLRSGF-OVCLIPMQSA-N -1 3 376.416 3.657 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737716532 599195356 /nfs/dbraw/zinc/19/53/56/599195356.db2.gz RKSQJAHVFYSGNB-QUCCMNQESA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737716532 599195359 /nfs/dbraw/zinc/19/53/59/599195359.db2.gz RKSQJAHVFYSGNB-QUCCMNQESA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737716534 599195568 /nfs/dbraw/zinc/19/55/68/599195568.db2.gz RKSQJAHVFYSGNB-UYAOXDASSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737716534 599195569 /nfs/dbraw/zinc/19/55/69/599195569.db2.gz RKSQJAHVFYSGNB-UYAOXDASSA-N -1 3 380.411 3.634 20 30 GHEDHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737317563 599199505 /nfs/dbraw/zinc/19/95/05/599199505.db2.gz MYMMWEYWHVVFBZ-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737317563 599199507 /nfs/dbraw/zinc/19/95/07/599199507.db2.gz MYMMWEYWHVVFBZ-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737316953 599199621 /nfs/dbraw/zinc/19/96/21/599199621.db2.gz IONUSDNJLVIRKJ-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737316953 599199623 /nfs/dbraw/zinc/19/96/23/599199623.db2.gz IONUSDNJLVIRKJ-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM N#CCCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737688577 599217489 /nfs/dbraw/zinc/21/74/89/599217489.db2.gz VPZUFFJLSIOARY-UHFFFAOYSA-N -1 3 383.795 3.773 20 30 GHEDHM N#CCCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737688577 599217492 /nfs/dbraw/zinc/21/74/92/599217492.db2.gz VPZUFFJLSIOARY-UHFFFAOYSA-N -1 3 383.795 3.773 20 30 GHEDHM CC(C)(C)C=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735595579 599218199 /nfs/dbraw/zinc/21/81/99/599218199.db2.gz GSWPMIBAJNIRDI-VFNNOXKTSA-N -1 3 378.461 3.769 20 30 GHEDHM CC(C)(C)C=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735595579 599218202 /nfs/dbraw/zinc/21/82/02/599218202.db2.gz GSWPMIBAJNIRDI-VFNNOXKTSA-N -1 3 378.461 3.769 20 30 GHEDHM N#CCOc1ccc(Cl)cc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000737697443 599220856 /nfs/dbraw/zinc/22/08/56/599220856.db2.gz GLNHENNHUUFMAS-UHFFFAOYSA-N -1 3 376.203 3.655 20 30 GHEDHM N#CCOc1ccc(Cl)cc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000737697443 599220858 /nfs/dbraw/zinc/22/08/58/599220858.db2.gz GLNHENNHUUFMAS-UHFFFAOYSA-N -1 3 376.203 3.655 20 30 GHEDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)n2c3ccccc3nc2c1C#N ZINC000737279910 598310225 /nfs/dbraw/zinc/31/02/25/598310225.db2.gz GJALKEPQZFOZAY-UHFFFAOYSA-N -1 3 398.405 3.599 20 30 GHEDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)n2c3ccccc3nc2c1C#N ZINC000737279910 598310227 /nfs/dbraw/zinc/31/02/27/598310227.db2.gz GJALKEPQZFOZAY-UHFFFAOYSA-N -1 3 398.405 3.599 20 30 GHEDHM CCCCCCCCCN(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736448588 598326366 /nfs/dbraw/zinc/32/63/66/598326366.db2.gz NOERHZPVYIMBLD-UHFFFAOYSA-N -1 3 376.480 3.898 20 30 GHEDHM CCCCCCCCCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736448588 598326367 /nfs/dbraw/zinc/32/63/67/598326367.db2.gz NOERHZPVYIMBLD-UHFFFAOYSA-N -1 3 376.480 3.898 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000737676099 598383800 /nfs/dbraw/zinc/38/38/00/598383800.db2.gz UURPUFDZPFTPQI-WHLNPGIBSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000737676099 598383802 /nfs/dbraw/zinc/38/38/02/598383802.db2.gz UURPUFDZPFTPQI-WHLNPGIBSA-N -1 3 399.241 3.568 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402106 598444486 /nfs/dbraw/zinc/44/44/86/598444486.db2.gz IDNHDNCLHGHJNV-UHFFFAOYSA-N -1 3 395.488 3.694 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402106 598444487 /nfs/dbraw/zinc/44/44/87/598444487.db2.gz IDNHDNCLHGHJNV-UHFFFAOYSA-N -1 3 395.488 3.694 20 30 GHEDHM C=C1CCN(C(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402490 598512627 /nfs/dbraw/zinc/51/26/27/598512627.db2.gz CEQRCSASGNIWBH-UHFFFAOYSA-N -1 3 391.500 3.951 20 30 GHEDHM C=C1CCN(C(=O)c2ccccc2SCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402490 598512629 /nfs/dbraw/zinc/51/26/29/598512629.db2.gz CEQRCSASGNIWBH-UHFFFAOYSA-N -1 3 391.500 3.951 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735975046 598557796 /nfs/dbraw/zinc/55/77/96/598557796.db2.gz LXSRBPMGHKWCJH-CQSZACIVSA-N -1 3 380.477 3.752 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735972993 598564654 /nfs/dbraw/zinc/56/46/54/598564654.db2.gz AYDHMSYBCCTQPN-CYBMUJFWSA-N -1 3 393.476 3.583 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735972993 598564656 /nfs/dbraw/zinc/56/46/56/598564656.db2.gz AYDHMSYBCCTQPN-CYBMUJFWSA-N -1 3 393.476 3.583 20 30 GHEDHM CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736741839 599567294 /nfs/dbraw/zinc/56/72/94/599567294.db2.gz UGCSISLWLBUECP-UHFFFAOYSA-N -1 3 395.426 3.759 20 30 GHEDHM CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736741839 599567296 /nfs/dbraw/zinc/56/72/96/599567296.db2.gz UGCSISLWLBUECP-UHFFFAOYSA-N -1 3 395.426 3.759 20 30 GHEDHM N#CCC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826381424 607395026 /nfs/dbraw/zinc/39/50/26/607395026.db2.gz LJFWYEPGPFAMTQ-OAHLLOKOSA-N -1 3 381.827 3.687 20 30 GHEDHM N#CCC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826381424 607395028 /nfs/dbraw/zinc/39/50/28/607395028.db2.gz LJFWYEPGPFAMTQ-OAHLLOKOSA-N -1 3 381.827 3.687 20 30 GHEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000736359479 599884436 /nfs/dbraw/zinc/88/44/36/599884436.db2.gz DSCQJOXZGUIPNA-BXKDBHETSA-N -1 3 385.367 3.784 20 30 GHEDHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000737949881 600591084 /nfs/dbraw/zinc/59/10/84/600591084.db2.gz PFYKLSSDJGGIOZ-APPDUMDISA-N -1 3 389.249 3.806 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cncc3ccccc23)ccc1-c1nnn[n-]1 ZINC000822723599 607465219 /nfs/dbraw/zinc/46/52/19/607465219.db2.gz HISWNKWLDCISJK-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2cncc3ccccc23)ccc1-c1nn[n-]n1 ZINC000822723599 607465220 /nfs/dbraw/zinc/46/52/20/607465220.db2.gz HISWNKWLDCISJK-UHFFFAOYSA-N -1 3 383.337 3.880 20 30 GHEDHM COc1ccc(CNc2ccccc2Oc2ncccc2C#N)cc1-c1nnn[n-]1 ZINC000826203868 607549154 /nfs/dbraw/zinc/54/91/54/607549154.db2.gz JOIWPJGBFZAFJC-UHFFFAOYSA-N -1 3 399.414 3.546 20 30 GHEDHM COc1ccc(CNc2ccccc2Oc2ncccc2C#N)cc1-c1nn[n-]n1 ZINC000826203868 607549155 /nfs/dbraw/zinc/54/91/55/607549155.db2.gz JOIWPJGBFZAFJC-UHFFFAOYSA-N -1 3 399.414 3.546 20 30 GHEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000736360635 604374885 /nfs/dbraw/zinc/37/48/85/604374885.db2.gz QXAVXXUCVVFBTP-OTYXRUKQSA-N -1 3 379.388 3.557 20 30 GHEDHM C=CCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000819733964 606266004 /nfs/dbraw/zinc/26/60/04/606266004.db2.gz GFYISAXNVRKCEK-UHFFFAOYSA-N -1 3 379.420 3.962 20 30 GHEDHM C=CCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000819733964 606266006 /nfs/dbraw/zinc/26/60/06/606266006.db2.gz GFYISAXNVRKCEK-UHFFFAOYSA-N -1 3 379.420 3.962 20 30 GHEDHM N#Cc1ccsc1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822842473 606361624 /nfs/dbraw/zinc/36/16/24/606361624.db2.gz JYYVUAKYDKUPHI-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM N#Cc1ccsc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822842473 606361626 /nfs/dbraw/zinc/36/16/26/606361626.db2.gz JYYVUAKYDKUPHI-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccncc3)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505147 606600596 /nfs/dbraw/zinc/60/05/96/606600596.db2.gz XXDMJSHWHKALLT-UVTDQMKNSA-N -1 3 386.440 3.598 20 30 GHEDHM O=C1C(=Cc2cnc(-c3ccncc3)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505147 606600597 /nfs/dbraw/zinc/60/05/97/606600597.db2.gz XXDMJSHWHKALLT-UVTDQMKNSA-N -1 3 386.440 3.598 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(-c2ccccc2)o1 ZINC000822934679 606777925 /nfs/dbraw/zinc/77/79/25/606777925.db2.gz BOJLLJZVNORBJM-BQYQJAHWSA-N -1 3 382.383 3.671 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(-c2ccccc2)o1 ZINC000822934679 606777929 /nfs/dbraw/zinc/77/79/29/606777929.db2.gz BOJLLJZVNORBJM-BQYQJAHWSA-N -1 3 382.383 3.671 20 30 GHEDHM C=CCc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc(OC)c1OC ZINC000819759020 607189669 /nfs/dbraw/zinc/18/96/69/607189669.db2.gz LEURDZLLBFZOFM-UHFFFAOYSA-N -1 3 399.838 3.518 20 30 GHEDHM C=CCc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc(OC)c1OC ZINC000819759020 607189670 /nfs/dbraw/zinc/18/96/70/607189670.db2.gz LEURDZLLBFZOFM-UHFFFAOYSA-N -1 3 399.838 3.518 20 30 GHEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820121999 607200673 /nfs/dbraw/zinc/20/06/73/607200673.db2.gz XEECGGWRXPSWFX-UHFFFAOYSA-N -1 3 395.854 3.834 20 30 GHEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820121999 607200674 /nfs/dbraw/zinc/20/06/74/607200674.db2.gz XEECGGWRXPSWFX-UHFFFAOYSA-N -1 3 395.854 3.834 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)OCC ZINC000823874032 607893762 /nfs/dbraw/zinc/89/37/62/607893762.db2.gz RFBODKCGVKOALU-LJQANCHMSA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)OCC ZINC000823874032 607893763 /nfs/dbraw/zinc/89/37/63/607893763.db2.gz RFBODKCGVKOALU-LJQANCHMSA-N -1 3 393.447 3.969 20 30 GHEDHM C#CC[C@@H](NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823837665 607940454 /nfs/dbraw/zinc/94/04/54/607940454.db2.gz FIICKYDZLUKKNR-HXUWFJFHSA-N -1 3 388.475 3.553 20 30 GHEDHM C#CC[C@@H](NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837665 607940455 /nfs/dbraw/zinc/94/04/55/607940455.db2.gz FIICKYDZLUKKNR-HXUWFJFHSA-N -1 3 388.475 3.553 20 30 GHEDHM C[C@@H](CC#N)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824385011 608075328 /nfs/dbraw/zinc/07/53/28/608075328.db2.gz JWSGPKYFGKKTMC-NSHDSACASA-N -1 3 383.795 3.771 20 30 GHEDHM C[C@@H](CC#N)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824385011 608075329 /nfs/dbraw/zinc/07/53/29/608075329.db2.gz JWSGPKYFGKKTMC-NSHDSACASA-N -1 3 383.795 3.771 20 30 GHEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824385199 608259425 /nfs/dbraw/zinc/25/94/25/608259425.db2.gz NYUBWQKDXROZBR-LBPRGKRZSA-N -1 3 380.839 3.599 20 30 GHEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824385199 608259427 /nfs/dbraw/zinc/25/94/27/608259427.db2.gz NYUBWQKDXROZBR-LBPRGKRZSA-N -1 3 380.839 3.599 20 30 GHEDHM N#Cc1cc2ccccc2nc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826384370 608442428 /nfs/dbraw/zinc/44/24/28/608442428.db2.gz SCRIJNFHCWNMAB-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1cc2ccccc2nc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826384370 608442429 /nfs/dbraw/zinc/44/24/29/608442429.db2.gz SCRIJNFHCWNMAB-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM Cc1nc(C(C)C)sc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823958236 608537903 /nfs/dbraw/zinc/53/79/03/608537903.db2.gz GJWJSYFTYQZSSE-UHFFFAOYSA-N -1 3 376.877 3.640 20 30 GHEDHM Cc1nc(C(C)C)sc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823958236 608537904 /nfs/dbraw/zinc/53/79/04/608537904.db2.gz GJWJSYFTYQZSSE-UHFFFAOYSA-N -1 3 376.877 3.640 20 30 GHEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(Cl)ccc1OC ZINC000825029371 608538671 /nfs/dbraw/zinc/53/86/71/608538671.db2.gz QPHASAAPFICYTD-UHFFFAOYSA-N -1 3 392.250 3.803 20 30 GHEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(Cl)ccc1OC ZINC000825029371 608538672 /nfs/dbraw/zinc/53/86/72/608538672.db2.gz QPHASAAPFICYTD-UHFFFAOYSA-N -1 3 392.250 3.803 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000826400734 608874713 /nfs/dbraw/zinc/87/47/13/608874713.db2.gz GPAIYKMIJCLTSL-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000826400734 608874715 /nfs/dbraw/zinc/87/47/15/608874715.db2.gz GPAIYKMIJCLTSL-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000826213869 608879183 /nfs/dbraw/zinc/87/91/83/608879183.db2.gz POQHKIDHZZMAIH-QPJJXVBHSA-N -1 3 378.363 3.965 20 30 GHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000826213869 608879185 /nfs/dbraw/zinc/87/91/85/608879185.db2.gz POQHKIDHZZMAIH-QPJJXVBHSA-N -1 3 378.363 3.965 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000826401430 608881512 /nfs/dbraw/zinc/88/15/12/608881512.db2.gz YJPJETDKXKBPIA-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000826401430 608881513 /nfs/dbraw/zinc/88/15/13/608881513.db2.gz YJPJETDKXKBPIA-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM COc1cc(Br)ccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826176751 609368576 /nfs/dbraw/zinc/36/85/76/609368576.db2.gz BTMOZHONPRPDNI-VURMDHGXSA-N -1 3 385.221 3.534 20 30 GHEDHM COc1cc(Br)ccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826176751 609368579 /nfs/dbraw/zinc/36/85/79/609368579.db2.gz BTMOZHONPRPDNI-VURMDHGXSA-N -1 3 385.221 3.534 20 30 GHEDHM C=C(C)CN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000823874075 609380417 /nfs/dbraw/zinc/38/04/17/609380417.db2.gz SBNUXUVLCFNKLH-UHFFFAOYSA-N -1 3 396.426 3.625 20 30 GHEDHM C=C(C)CN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000823874075 609380418 /nfs/dbraw/zinc/38/04/18/609380418.db2.gz SBNUXUVLCFNKLH-UHFFFAOYSA-N -1 3 396.426 3.625 20 30 GHEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1Br ZINC000005165138 834504064 /nfs/dbraw/zinc/50/40/64/834504064.db2.gz CDISILYNOYBMBU-UHFFFAOYSA-N -1 3 388.265 3.506 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000187023577 834976852 /nfs/dbraw/zinc/97/68/52/834976852.db2.gz YCEVBKSJFPAMFX-OAQYLSRUSA-N -1 3 377.488 3.723 20 30 GHEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)O[C@@H](C)C#N)ccc2C)c(C)c1 ZINC000023417329 837010841 /nfs/dbraw/zinc/01/08/41/837010841.db2.gz AAGYZNQESSSTCB-INIZCTEOSA-N -1 3 386.473 3.790 20 30 GHEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000177601539 837990636 /nfs/dbraw/zinc/99/06/36/837990636.db2.gz ZZWILAWHRHFULG-ZDUSSCGKSA-N -1 3 389.770 3.911 20 30 GHEDHM Cc1c(C(=O)OCC#N)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000014061517 838592264 /nfs/dbraw/zinc/59/22/64/838592264.db2.gz KQTGWTLYCSROMD-UHFFFAOYSA-N -1 3 399.497 3.883 20 30 GHEDHM N#CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000182481813 838727762 /nfs/dbraw/zinc/72/77/62/838727762.db2.gz DJTUZIWRBWMBCQ-NRFANRHFSA-N -1 3 391.471 3.548 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000255215309 839814771 /nfs/dbraw/zinc/81/47/71/839814771.db2.gz IWQDYINLNGCTQR-HHGUGQKFSA-N -1 3 380.673 3.901 20 30 GHEDHM CC(=O)c1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1[O-] ZINC000580730411 840071506 /nfs/dbraw/zinc/07/15/06/840071506.db2.gz AILBVXUEIDEMSZ-UHFFFAOYSA-N -1 3 376.368 3.891 20 30 GHEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCCc2cccnc21 ZINC000548148547 840510929 /nfs/dbraw/zinc/51/09/29/840510929.db2.gz GSTCHBGNZOHHDN-HXUWFJFHSA-N -1 3 392.503 3.920 20 30 GHEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000600180436 861200141 /nfs/dbraw/zinc/20/01/41/861200141.db2.gz DRDDJXLAIKBERS-UHFFFAOYSA-N -1 3 388.471 3.966 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])C=CSCc2ccco2)cc1 ZINC000759833558 841915558 /nfs/dbraw/zinc/91/55/58/841915558.db2.gz IZZPWLGUZHTKHM-FPISAVPCSA-N -1 3 398.440 3.551 20 30 GHEDHM Cc1nn(C)c(C)c1[C@@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)C(F)(F)F ZINC000429584365 843977600 /nfs/dbraw/zinc/97/76/00/843977600.db2.gz DTZAAGHTCNINPP-CYBMUJFWSA-N -1 3 383.267 3.627 20 30 GHEDHM N#CCSCCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000614467011 844918723 /nfs/dbraw/zinc/91/87/23/844918723.db2.gz FPXQFLBSHSBOCT-UHFFFAOYSA-N -1 3 391.909 3.913 20 30 GHEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)s2)cc1 ZINC000121763637 846210998 /nfs/dbraw/zinc/21/09/98/846210998.db2.gz FCWBQPDHXVHYSM-OAHLLOKOSA-N -1 3 397.500 3.709 20 30 GHEDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1C#N ZINC000367018468 846403540 /nfs/dbraw/zinc/40/35/40/846403540.db2.gz ZEQHMFSFIPOBLI-UHFFFAOYSA-N -1 3 397.862 3.717 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486826916 850147243 /nfs/dbraw/zinc/14/72/43/850147243.db2.gz PUFLHBJLKXFPRO-ZETCQYMHSA-N -1 3 395.815 3.726 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486838875 850163464 /nfs/dbraw/zinc/16/34/64/850163464.db2.gz IRPQJPOHBYXHPS-SSDOTTSWSA-N -1 3 395.815 3.726 20 30 GHEDHM CCc1ccc([O-])c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000473559569 850183692 /nfs/dbraw/zinc/18/36/92/850183692.db2.gz GGQYWDTXCMKBKD-LJQANCHMSA-N -1 3 383.879 3.631 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4nc(C5CC5)no4)cc3)nc1-2 ZINC000435459196 850539245 /nfs/dbraw/zinc/53/92/45/850539245.db2.gz MOPZAVHLQVZOOX-HNNXBMFYSA-N -1 3 384.399 3.684 20 30 GHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2(c3cccc(C#N)c3)CC2)[nH][n-]1 ZINC000435470924 850549944 /nfs/dbraw/zinc/54/99/44/850549944.db2.gz QOINFCQREUYHTO-UHFFFAOYSA-N -1 3 392.846 3.703 20 30 GHEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000550110981 851634298 /nfs/dbraw/zinc/63/42/98/851634298.db2.gz WOKNAESFPDTXPT-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000732524944 862335682 /nfs/dbraw/zinc/33/56/82/862335682.db2.gz UJGFYTNEHYGHRT-UHFFFAOYSA-N -1 3 391.424 3.845 20 30 GHEDHM N#Cc1ccc(NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C(F)(F)F ZINC000436945625 852528488 /nfs/dbraw/zinc/52/84/88/852528488.db2.gz UMZWPQXUPWSWBH-UHFFFAOYSA-N -1 3 389.377 3.999 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c([O-])c1 ZINC000436971913 852555702 /nfs/dbraw/zinc/55/57/02/852555702.db2.gz MEYGDRYVBTWZSV-OAQYLSRUSA-N -1 3 393.487 3.594 20 30 GHEDHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000481880862 862469175 /nfs/dbraw/zinc/46/91/75/862469175.db2.gz FQEYLWMFLIHERJ-UHFFFAOYSA-N -1 3 384.288 3.727 20 30 GHEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3cccc(Cl)c3)c2)nc2ccccc21 ZINC000517305866 853641616 /nfs/dbraw/zinc/64/16/16/853641616.db2.gz HZKJALVPBHLQNM-INIZCTEOSA-N -1 3 375.819 3.902 20 30 GHEDHM C#CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCCC1 ZINC000732959132 862624909 /nfs/dbraw/zinc/62/49/09/862624909.db2.gz RCIICTOVJDABPS-UHFFFAOYSA-N -1 3 387.277 3.699 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499432481 856285109 /nfs/dbraw/zinc/28/51/09/856285109.db2.gz CUCUSVCTOYOKGQ-UHFFFAOYSA-N -1 3 383.496 3.823 20 30 GHEDHM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172591075 856490113 /nfs/dbraw/zinc/49/01/13/856490113.db2.gz ZDWJKTHAHNNCFS-UHFFFAOYSA-N -1 3 380.429 3.558 20 30 GHEDHM C#CCOc1cc(F)ccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000766070309 856803411 /nfs/dbraw/zinc/80/34/11/856803411.db2.gz CGZJFHBBEHGRGJ-UHFFFAOYSA-N -1 3 393.212 3.628 20 30 GHEDHM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 ZINC000129783368 857542587 /nfs/dbraw/zinc/54/25/87/857542587.db2.gz WKEOLGFVWLKEEF-JTQLQIEISA-N -1 3 379.247 3.975 20 30 GHEDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)c(C#N)c3)ccc2O1 ZINC000442216381 857630191 /nfs/dbraw/zinc/63/01/91/857630191.db2.gz SCVZVFBJBLJHSW-JTQLQIEISA-N -1 3 398.362 3.581 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019683352 857752737 /nfs/dbraw/zinc/75/27/37/857752737.db2.gz JPZWCNALKKXMSL-UHFFFAOYSA-N -1 3 396.447 3.697 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(C)c1F ZINC000543021958 857914142 /nfs/dbraw/zinc/91/41/42/857914142.db2.gz FITCCZXAJRDZIT-UHFFFAOYSA-N -1 3 378.425 3.602 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000046799628 858496250 /nfs/dbraw/zinc/49/62/50/858496250.db2.gz ZTRXYCBAXZZOST-LJQANCHMSA-N -1 3 383.879 3.813 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCCCCC#N ZINC000761186598 858995869 /nfs/dbraw/zinc/99/58/69/858995869.db2.gz SBTZVTGQTSSGQE-UHFFFAOYSA-N -1 3 390.436 3.786 20 30 GHEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(O)cc1[O-] ZINC000194645710 859536933 /nfs/dbraw/zinc/53/69/33/859536933.db2.gz HUJALPIOXNSTAN-UHFFFAOYSA-N -1 3 380.213 3.828 20 30 GHEDHM COc1cc(C(C)=NNc2ncnc3sc(C)c(C)c32)cc([N+](=O)[O-])c1[O-] ZINC000764664987 859557726 /nfs/dbraw/zinc/55/77/26/859557726.db2.gz GOKAJHUTPGWWFV-UHFFFAOYSA-N -1 3 387.421 3.767 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(Cc1ccccc1)C(C)C ZINC000601837636 859563978 /nfs/dbraw/zinc/56/39/78/859563978.db2.gz QEHAGKCBOHXROC-QHCPKHFHSA-N -1 3 379.504 3.982 20 30 GHEDHM C=CCCC[C@H](C)OC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000765490962 859999496 /nfs/dbraw/zinc/99/94/96/859999496.db2.gz BORVOJQEFVBKPO-JTQLQIEISA-N -1 3 380.293 3.803 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC000598578445 860424484 /nfs/dbraw/zinc/42/44/84/860424484.db2.gz QOFCJXYUKKOETP-QHCPKHFHSA-N -1 3 377.488 3.692 20 30 GHEDHM COc1cccc(N2CC[C@H](/N=C\c3cc(Br)ccc3[O-])C2)c1 ZINC000728174231 860449807 /nfs/dbraw/zinc/44/98/07/860449807.db2.gz MSBMEKICFMYINP-PFHZTYADSA-N -1 3 375.266 3.861 20 30 GHEDHM N#CCCN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000176839620 861055750 /nfs/dbraw/zinc/05/57/50/861055750.db2.gz GRLRIEPPPMFGGX-UHFFFAOYSA-N -1 3 380.429 3.753 20 30 GHEDHM COc1ccc2ccc([O-])c(CN3CCN(Cc4ccccc4)[C@H](C#N)C3)c2c1 ZINC000733994716 863908264 /nfs/dbraw/zinc/90/82/64/863908264.db2.gz UEDFJBQJSJAADP-HXUWFJFHSA-N -1 3 387.483 3.764 20 30 GHEDHM C=CCCCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000735531298 864840643 /nfs/dbraw/zinc/84/06/43/864840643.db2.gz BPDZGHOKCIDMME-UHFFFAOYSA-N -1 3 378.277 3.557 20 30 GHEDHM Cc1cc2c(c(Br)c1)NC(=O)C2=N[N-]c1ncccc1C(F)(F)F ZINC000735612936 864880790 /nfs/dbraw/zinc/88/07/90/864880790.db2.gz RZYDKDKNGOLCAW-UHFFFAOYSA-N -1 3 399.170 3.940 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccccc3Br)CC2)c1[O-] ZINC000741165317 866278345 /nfs/dbraw/zinc/27/83/45/866278345.db2.gz KLBCQAULDUTROI-AWQFTUOYSA-N -1 3 375.266 3.501 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000920323880 882043819 /nfs/dbraw/zinc/04/38/19/882043819.db2.gz KORAQQBANYBJFU-CQSZACIVSA-N -1 3 382.782 3.626 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456842988 867234741 /nfs/dbraw/zinc/23/47/41/867234741.db2.gz RNWWKUABLIDTPN-IBGZPJMESA-N -1 3 385.414 3.850 20 30 GHEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000479158250 867255649 /nfs/dbraw/zinc/25/56/49/867255649.db2.gz PCAUFTKVSBKQAA-IINYFYTJSA-N -1 3 391.718 3.853 20 30 GHEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccc(-c2c(F)cccc2F)o1 ZINC000743448351 868196633 /nfs/dbraw/zinc/19/66/33/868196633.db2.gz KXGQKCQDLRIKRV-UHFFFAOYSA-N -1 3 390.411 3.721 20 30 GHEDHM CC(C)(C)c1ccc(Oc2ccc(C=NN3CC(=O)[N-]C3=O)cc2[N+](=O)[O-])cc1 ZINC000744810822 869080378 /nfs/dbraw/zinc/08/03/78/869080378.db2.gz ZBXOILVVIJIBOT-UHFFFAOYSA-N -1 3 396.403 3.570 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2cc(C(=O)OC)co2)cc(Br)c1[O-] ZINC000766492378 870817794 /nfs/dbraw/zinc/81/77/94/870817794.db2.gz WYIGNCBGQOCTMR-PLNGDYQASA-N -1 3 395.205 3.829 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)sc1Br ZINC000618715798 871890030 /nfs/dbraw/zinc/89/00/30/871890030.db2.gz JUXPDMKJLXVBPN-ZDUSSCGKSA-N -1 3 397.319 3.657 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2ccc(OC)cc2)c(C)c1[O-] ZINC001195705449 872596952 /nfs/dbraw/zinc/59/69/52/872596952.db2.gz XOPINRDMSKORLT-UHFFFAOYSA-N -1 3 385.445 3.567 20 30 GHEDHM Fc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC000767754311 872811245 /nfs/dbraw/zinc/81/12/45/872811245.db2.gz DZHPXLKSLTXREI-HNNXBMFYSA-N -1 3 390.827 3.754 20 30 GHEDHM N#Cc1cc(NC(=O)c2cnc(Br)c(C(F)(F)F)c2)ccc1[O-] ZINC001196290391 873020107 /nfs/dbraw/zinc/02/01/07/873020107.db2.gz PNGCFRSOEXMABG-UHFFFAOYSA-N -1 3 386.127 3.692 20 30 GHEDHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1Cl ZINC001197040245 873533079 /nfs/dbraw/zinc/53/30/79/873533079.db2.gz DRLILKJMPPKDOW-UHFFFAOYSA-N -1 3 399.255 3.761 20 30 GHEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c(F)c1 ZINC001197311735 873699273 /nfs/dbraw/zinc/69/92/73/873699273.db2.gz FZXRWVUAMFOUQB-UHFFFAOYSA-N -1 3 399.241 3.659 20 30 GHEDHM N#Cc1cccc(NC(=S)Nc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)c1 ZINC001197717398 873971512 /nfs/dbraw/zinc/97/15/12/873971512.db2.gz ZFYLPISDLCWMGD-UHFFFAOYSA-N -1 3 399.431 3.848 20 30 GHEDHM O=C(Nc1ccccc1Oc1ccc(Cl)cc1)N[C@H]1CCCN([O-])C1=O ZINC001198889328 874702176 /nfs/dbraw/zinc/70/21/76/874702176.db2.gz XUFQNYSPKODFEB-HNNXBMFYSA-N -1 3 375.812 3.634 20 30 GHEDHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000775931698 874790039 /nfs/dbraw/zinc/79/00/39/874790039.db2.gz ABYKMZLWPXLGBD-LBPRGKRZSA-N -1 3 390.798 3.677 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1ccncc1OCC1CCOCC1 ZINC001199120205 874809304 /nfs/dbraw/zinc/80/93/04/874809304.db2.gz LINQXAJQVVWCDR-UHFFFAOYSA-N -1 3 377.400 3.757 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1C ZINC000771260016 875146250 /nfs/dbraw/zinc/14/62/50/875146250.db2.gz DAWVPWWXWZWRHU-ZDUSSCGKSA-N -1 3 388.855 3.704 20 30 GHEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000771935367 875558836 /nfs/dbraw/zinc/55/88/36/875558836.db2.gz PORZKUWWIGBEBU-SFHVURJKSA-N -1 3 386.293 3.537 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1C#N ZINC001201322574 875633277 /nfs/dbraw/zinc/63/32/77/875633277.db2.gz PBEOHXMZYPMJSB-UHFFFAOYSA-N -1 3 390.436 3.762 20 30 GHEDHM CCCCCCCCCCCN1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001201631666 875774313 /nfs/dbraw/zinc/77/43/13/875774313.db2.gz WWXFGMWACXXEIW-UHFFFAOYSA-N -1 3 376.607 3.803 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-][C@@H](Cc1ccccn1)C(=O)OCC ZINC001201837337 875898322 /nfs/dbraw/zinc/89/83/22/875898322.db2.gz UGQDWZAAJIERIR-IBGZPJMESA-N -1 3 398.569 3.616 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(-c2cccc(F)c2)on1 ZINC000786778631 876932363 /nfs/dbraw/zinc/93/23/63/876932363.db2.gz WMVDEEBYCIGGKM-UHFFFAOYSA-N -1 3 395.390 3.746 20 30 GHEDHM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cc1 ZINC000477247627 877291547 /nfs/dbraw/zinc/29/15/47/877291547.db2.gz IZZNEXFNTXXVOK-UHFFFAOYSA-N -1 3 394.408 3.880 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1c(Cl)nc2ccccn21 ZINC000130205291 877733254 /nfs/dbraw/zinc/73/32/54/877733254.db2.gz VGBOMIJKPANVDS-SNVBAGLBSA-N -1 3 391.189 3.741 20 30 GHEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1 ZINC000616882734 879154569 /nfs/dbraw/zinc/15/45/69/879154569.db2.gz MGYVRTKRLIXLNP-QGZVFWFLSA-N -1 3 398.426 3.697 20 30 GHEDHM CC[C@H]([N-]C(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)F ZINC000452267215 879230505 /nfs/dbraw/zinc/23/05/05/879230505.db2.gz UPGKVELKSUTKSO-CABZTGNLSA-N -1 3 378.263 3.582 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000130255834 879936813 /nfs/dbraw/zinc/93/68/13/879936813.db2.gz NTTFDWMPOHSKES-AWEZNQCLSA-N -1 3 382.782 3.626 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCc2nc(-c3ccccc3)sc21 ZINC000747049357 880794683 /nfs/dbraw/zinc/79/46/83/880794683.db2.gz NGKWEEYXXLXUTR-UHFFFAOYSA-N -1 3 397.525 3.970 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CC23CCC(F)(F)CC3)c(C)c1[O-] ZINC001183581730 912661493 /nfs/dbraw/zinc/66/14/93/912661493.db2.gz LPTBUQSXPHCPLR-CQSZACIVSA-N -1 3 392.402 3.903 20 30 GHEDHM CCc1cc(C(=O)OC)c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC001130165969 883795036 /nfs/dbraw/zinc/79/50/36/883795036.db2.gz VKHRFMVMVFAZNW-UHFFFAOYSA-N -1 3 381.413 3.876 20 30 GHEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-n2ncc3ccccc32)cc1 ZINC000475804162 883998370 /nfs/dbraw/zinc/99/83/70/883998370.db2.gz GMAXZMFMJIFKBN-UHFFFAOYSA-N -1 3 388.452 3.892 20 30 GHEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000032164015 884617650 /nfs/dbraw/zinc/61/76/50/884617650.db2.gz URRSTWSKBCRSDP-UHFFFAOYSA-N -1 3 375.432 3.605 20 30 GHEDHM C#CCNC(=O)c1sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC000026261674 886243297 /nfs/dbraw/zinc/24/32/97/886243297.db2.gz VLEOBDZZMHEQLC-UHFFFAOYSA-N -1 3 397.525 3.565 20 30 GHEDHM CC[C@@H](C)n1ncc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C1CC1 ZINC000536507955 886595033 /nfs/dbraw/zinc/59/50/33/886595033.db2.gz CKDHHDZWOGNVSX-GFCCVEGCSA-N -1 3 381.480 3.892 20 30 GHEDHM O=C(CCC(=O)N1CCCC2(CCN(Cc3ccccc3)CC2)C1)C1=CC=C[CH]1 ZINC001184244540 913096502 /nfs/dbraw/zinc/09/65/02/913096502.db2.gz VSFYIQUMLJJSQH-UHFFFAOYSA-N -1 3 391.535 3.941 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCCCOc2ccccc2)c(C)c1[O-] ZINC001184366691 913197147 /nfs/dbraw/zinc/19/71/47/913197147.db2.gz ZXGUKGRNUQGQAM-UHFFFAOYSA-N -1 3 396.443 3.937 20 30 GHEDHM C=CCC1(CNC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCC1 ZINC000454319307 888789521 /nfs/dbraw/zinc/78/95/21/888789521.db2.gz JGBZZEDNIBVQGE-UHFFFAOYSA-N -1 3 395.525 3.715 20 30 GHEDHM CCCCCCCCCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000916194036 888813521 /nfs/dbraw/zinc/81/35/21/888813521.db2.gz FCNQJTMBHZXUHL-UHFFFAOYSA-N -1 3 375.513 3.610 20 30 GHEDHM N#CCc1ccsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000866765224 889031146 /nfs/dbraw/zinc/03/11/46/889031146.db2.gz WBEOJXGEAHTJJN-MRXNPFEDSA-N -1 3 389.908 3.568 20 30 GHEDHM COc1ccc(C=NN[C@@H](C)COc2ccccc2)c(Br)c1[O-] ZINC000811665720 889853158 /nfs/dbraw/zinc/85/31/58/889853158.db2.gz SRHTYAGZUANQST-LBPRGKRZSA-N -1 3 379.254 3.554 20 30 GHEDHM C#C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1 ZINC000811961312 890164705 /nfs/dbraw/zinc/16/47/05/890164705.db2.gz PGAPZBNJVKENFB-HNNXBMFYSA-N -1 3 393.668 3.982 20 30 GHEDHM N#Cc1c(Cl)cc(C(=O)[N-]c2csc(Br)n2)nc1Cl ZINC001184796043 913440192 /nfs/dbraw/zinc/44/01/92/913440192.db2.gz KIRZYKAATRJOHF-UHFFFAOYSA-N -1 3 378.038 3.731 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000916927754 890417255 /nfs/dbraw/zinc/41/72/55/890417255.db2.gz CSAHNWRVCIZNKF-GFCCVEGCSA-N -1 3 378.171 3.863 20 30 GHEDHM C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016243 891342104 /nfs/dbraw/zinc/34/21/04/891342104.db2.gz GERLFANVUGSUSW-FAQVEIGNSA-N -1 3 398.409 3.863 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c1[O-] ZINC000917558070 892165681 /nfs/dbraw/zinc/16/56/81/892165681.db2.gz FHXANTYXRKKFOR-WYMPLXKRSA-N -1 3 393.418 3.598 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc(OCc3ccccn3)c2)c1[O-] ZINC000917558931 892166856 /nfs/dbraw/zinc/16/68/56/892166856.db2.gz CVSNDBPTOUVLIJ-WWPWHYENSA-N -1 3 377.444 3.742 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000814054051 892221434 /nfs/dbraw/zinc/22/14/34/892221434.db2.gz YHZJQVOHZOVMPZ-XLIONFOSSA-N -1 3 380.444 3.672 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(Br)cc(N(C)C)c3)nc1-2 ZINC000497935145 892772874 /nfs/dbraw/zinc/77/28/74/892772874.db2.gz DOJQEQPKRZEDHM-AWEZNQCLSA-N -1 3 398.264 3.585 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCc4sccc4C3)cc2)cc1 ZINC000125610892 892831486 /nfs/dbraw/zinc/83/14/86/892831486.db2.gz MCLIFBSWTBKWMX-UHFFFAOYSA-N -1 3 395.509 3.983 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(C)(C)CC2CCOCC2)c(C)c1[O-] ZINC001185321295 913778565 /nfs/dbraw/zinc/77/85/65/913778565.db2.gz XNCJWUKXRYXPPC-UHFFFAOYSA-N -1 3 388.464 3.530 20 30 GHEDHM N#C[C@H]1N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCC[C@@]12CCCCO2 ZINC000556092618 893703308 /nfs/dbraw/zinc/70/33/08/893703308.db2.gz IOTHPXFJZUQFQC-IERDGZPVSA-N -1 3 378.432 3.509 20 30 GHEDHM CC[C@H](C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000778298017 894146898 /nfs/dbraw/zinc/14/68/98/894146898.db2.gz OECOCTPABKJBAZ-GWCFXTLKSA-N -1 3 376.819 3.916 20 30 GHEDHM CC[C@@H](C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000778297349 894149767 /nfs/dbraw/zinc/14/97/67/894149767.db2.gz HUPKHLIJXWBEQD-BXUZGUMPSA-N -1 3 388.855 3.786 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nsc2ccc(C)cc21 ZINC000815908526 894284057 /nfs/dbraw/zinc/28/40/57/894284057.db2.gz DJGUXILWAPBBFP-AWEZNQCLSA-N -1 3 379.441 3.965 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000816755063 895051401 /nfs/dbraw/zinc/05/14/01/895051401.db2.gz SBGQOTPGINDIAW-MRXNPFEDSA-N -1 3 394.349 3.608 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cccc(C2CC2)c1 ZINC000817324190 895509649 /nfs/dbraw/zinc/50/96/49/895509649.db2.gz VBITVOFYZMWVLT-GOSISDBHSA-N -1 3 378.457 3.839 20 30 GHEDHM CCOC(=O)c1ccc(C#N)c(SCc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000818134286 896066057 /nfs/dbraw/zinc/06/60/57/896066057.db2.gz BZDZWNDSRPZISI-UHFFFAOYSA-N -1 3 396.424 3.543 20 30 GHEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(NC)ccc2Cl)C1=O ZINC000819809083 896997257 /nfs/dbraw/zinc/99/72/57/896997257.db2.gz NNMVRDYECWAOLH-IBGZPJMESA-N -1 3 394.903 3.698 20 30 GHEDHM C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824522079 899656600 /nfs/dbraw/zinc/65/66/00/899656600.db2.gz PUGQCONLNOUSBB-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824522079 899656605 /nfs/dbraw/zinc/65/66/05/899656605.db2.gz PUGQCONLNOUSBB-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@@H](Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662019 899749881 /nfs/dbraw/zinc/74/98/81/899749881.db2.gz AGTMZSQXZSPYFB-GFCCVEGCSA-N -1 3 390.838 3.751 20 30 GHEDHM C[C@@H](Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662019 899749891 /nfs/dbraw/zinc/74/98/91/899749891.db2.gz AGTMZSQXZSPYFB-GFCCVEGCSA-N -1 3 390.838 3.751 20 30 GHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400781 899777442 /nfs/dbraw/zinc/77/74/42/899777442.db2.gz IAMQMBREROWANU-WDZFZDKYSA-N -1 3 377.423 3.892 20 30 GHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400781 899777453 /nfs/dbraw/zinc/77/74/53/899777453.db2.gz IAMQMBREROWANU-WDZFZDKYSA-N -1 3 377.423 3.892 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2ccc(OC)cc2C)c(C)c1[O-] ZINC001202727979 900037915 /nfs/dbraw/zinc/03/79/15/900037915.db2.gz UHVWPSOKEDQKFN-UHFFFAOYSA-N -1 3 383.404 3.710 20 30 GHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000576521991 902074177 /nfs/dbraw/zinc/07/41/77/902074177.db2.gz WMGMDULOGQRMEA-UHFFFAOYSA-N -1 3 397.928 3.648 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000845842494 902458967 /nfs/dbraw/zinc/45/89/67/902458967.db2.gz UHHRKVHZUIQMED-CEXWTWQISA-N -1 3 387.435 3.571 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nccc2nc(-c3c(Cl)cccc3Cl)[nH]c21 ZINC001171365571 904354308 /nfs/dbraw/zinc/35/43/08/904354308.db2.gz DORUELHZAWTYAF-SDBXPKJASA-N -1 3 392.246 3.580 20 30 GHEDHM CCc1nc(COc2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)no1 ZINC000190888427 906393779 /nfs/dbraw/zinc/39/37/79/906393779.db2.gz MKOQRHCIPDHIDJ-MRXNPFEDSA-N -1 3 399.410 3.644 20 30 GHEDHM CO[C@@H](c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)c1ccccc1Cl ZINC000274076766 911212821 /nfs/dbraw/zinc/21/28/21/911212821.db2.gz QZQNMAMGLYHYNY-GOSISDBHSA-N -1 3 398.850 3.833 20 30 GHEDHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(C#Cc3ccccn3)c1)c2=O ZINC001182229745 911286311 /nfs/dbraw/zinc/28/63/11/911286311.db2.gz YSDPMEBLULAOEL-UHFFFAOYSA-N -1 3 395.418 3.584 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)cc(C(F)(F)F)c1 ZINC001189453270 916658020 /nfs/dbraw/zinc/65/80/20/916658020.db2.gz IKRFLVUJGGRMJM-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1csc(N2CCCCC2)n1 ZINC001190658219 917449796 /nfs/dbraw/zinc/44/97/96/917449796.db2.gz FFSLZPGHDXDOSO-UHFFFAOYSA-N -1 3 390.472 3.714 20 30 GHEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(Cl)nc2NC(=O)OC(C)(C)C)CC1 ZINC001190776464 917557558 /nfs/dbraw/zinc/55/75/58/917557558.db2.gz IFOGYUAVWPGDAL-UHFFFAOYSA-N -1 3 387.889 3.932 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3nsnc3cc2Cl)c1 ZINC001190981914 917685031 /nfs/dbraw/zinc/68/50/31/917685031.db2.gz UINYCQLYERVUBC-UHFFFAOYSA-N -1 3 385.257 3.671 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCSc1ccc(Cl)cc1 ZINC000007074258 918450222 /nfs/dbraw/zinc/45/02/22/918450222.db2.gz XJANJRHMZUNKMN-UHFFFAOYSA-N -1 3 390.892 3.785 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC000297658217 919547524 /nfs/dbraw/zinc/54/75/24/919547524.db2.gz CGRWAIBAQOCRAG-UWVGGRQHSA-N -1 3 396.472 3.706 20 30 GHEDHM O=C(c1cn(Cc2ccccc2)nn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096141 919839523 /nfs/dbraw/zinc/83/95/23/919839523.db2.gz TVPUWCVIOJLMFQ-UHFFFAOYSA-N -1 3 377.231 3.665 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000365395563 920735221 /nfs/dbraw/zinc/73/52/21/920735221.db2.gz WCSYHLIADAVYLR-IBGZPJMESA-N -1 3 381.501 3.525 20 30 GHEDHM N#Cc1c([N-]C(=O)c2ncc(Br)cn2)sc2c1CCCCC2 ZINC000901266094 920954900 /nfs/dbraw/zinc/95/49/00/920954900.db2.gz LEIYXIQSCWTMOT-UHFFFAOYSA-N -1 3 377.267 3.693 20 30 GHEDHM CSCC[C@H](NC(=O)c1ccco1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901367401 921043055 /nfs/dbraw/zinc/04/30/55/921043055.db2.gz DDPRGDCCLOTMHL-SFHVURJKSA-N -1 3 398.484 3.702 20 30 GHEDHM CCc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1-c1ccc(OC(C)C)cc1 ZINC000901372428 921048125 /nfs/dbraw/zinc/04/81/25/921048125.db2.gz YXWTZPQHRVUSGB-UHFFFAOYSA-N -1 3 398.438 3.788 20 30 GHEDHM O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901374503 921050509 /nfs/dbraw/zinc/05/05/09/921050509.db2.gz LDACYBPYAODBBO-UHFFFAOYSA-N -1 3 399.443 3.831 20 30 GHEDHM O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N([O-])Cc1ccc(F)cc1 ZINC000901375772 921052998 /nfs/dbraw/zinc/05/29/98/921052998.db2.gz MNBZHAZPEKRUDG-AWEZNQCLSA-N -1 3 397.372 3.874 20 30 GHEDHM COc1cccc(C2=CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)c1 ZINC000368822443 922897961 /nfs/dbraw/zinc/89/79/61/922897961.db2.gz HELCCNNMBRDTRW-UHFFFAOYSA-N -1 3 391.471 3.533 20 30 GHEDHM N#CCSc1ccccc1NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748478128 923664581 /nfs/dbraw/zinc/66/45/81/923664581.db2.gz VNFYYHXHVQDKJE-UHFFFAOYSA-N -1 3 394.811 3.596 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(C2CCCCC2)n1 ZINC000796637053 926380530 /nfs/dbraw/zinc/38/05/30/926380530.db2.gz SFUIOBULSFQRDO-MRXNPFEDSA-N -1 3 380.448 3.748 20 30 GHEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001276164661 926397813 /nfs/dbraw/zinc/39/78/13/926397813.db2.gz FRJWODRTTSVLCV-OAHLLOKOSA-N -1 3 396.318 3.721 20 30 GHEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001276165465 926428421 /nfs/dbraw/zinc/42/84/21/926428421.db2.gz AIDPGZOCQXDPFT-OAHLLOKOSA-N -1 3 383.319 3.993 20 30 GHEDHM CCN1CCN(C(=O)Cc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)CC1 ZINC000750817498 927870795 /nfs/dbraw/zinc/87/07/95/927870795.db2.gz HASVFNBHLWJKCH-UHFFFAOYSA-N -1 3 385.895 3.503 20 30 GHEDHM C=C1CC(C)(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)C1 ZINC001573296044 947037002 /nfs/dbraw/zinc/03/70/02/947037002.db2.gz JYMRCTAYFKZPEF-UHFFFAOYSA-N -1 3 393.422 3.880 20 30 GHEDHM C=C1CC(C)(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)C1 ZINC001573296044 947037015 /nfs/dbraw/zinc/03/70/15/947037015.db2.gz JYMRCTAYFKZPEF-UHFFFAOYSA-N -1 3 393.422 3.880 20 30 GHEDHM C=CCCC[C@@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccccc1 ZINC001573334448 947454330 /nfs/dbraw/zinc/45/43/30/947454330.db2.gz CZJZBVNCZDDIQO-HXUWFJFHSA-N -1 3 388.475 3.990 20 30 GHEDHM C=CCCC[C@@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccccc1 ZINC001573334448 947454336 /nfs/dbraw/zinc/45/43/36/947454336.db2.gz CZJZBVNCZDDIQO-HXUWFJFHSA-N -1 3 388.475 3.990 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001573335479 947480575 /nfs/dbraw/zinc/48/05/75/947480575.db2.gz PFSPZJDXCJORNW-HOTGVXAUSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001573335479 947480581 /nfs/dbraw/zinc/48/05/81/947480581.db2.gz PFSPZJDXCJORNW-HOTGVXAUSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC=C(C)CC1 ZINC001573335854 947490659 /nfs/dbraw/zinc/49/06/59/947490659.db2.gz VVDPFSSRRWWWFN-UHFFFAOYSA-N -1 3 390.495 3.638 20 30 GHEDHM C=CCCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC=C(C)CC1 ZINC001573335854 947490663 /nfs/dbraw/zinc/49/06/63/947490663.db2.gz VVDPFSSRRWWWFN-UHFFFAOYSA-N -1 3 390.495 3.638 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(Cl)cncc1Cl ZINC001573341684 947532316 /nfs/dbraw/zinc/53/23/16/947532316.db2.gz OVGSKFXFPUBVCB-UHFFFAOYSA-N -1 3 375.263 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(Cl)cncc1Cl ZINC001573341684 947532328 /nfs/dbraw/zinc/53/23/28/947532328.db2.gz OVGSKFXFPUBVCB-UHFFFAOYSA-N -1 3 375.263 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001573341982 947536298 /nfs/dbraw/zinc/53/62/98/947536298.db2.gz RXXSKSXPEYHLGU-UHFFFAOYSA-N -1 3 389.503 3.922 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001573341982 947536304 /nfs/dbraw/zinc/53/63/04/947536304.db2.gz RXXSKSXPEYHLGU-UHFFFAOYSA-N -1 3 389.503 3.922 20 30 GHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC001593190934 994129560 /nfs/dbraw/zinc/12/95/60/994129560.db2.gz ZCRVHIVQACKCLX-QVKFZJNVSA-N -1 3 377.444 3.552 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(F)cc1Br ZINC000319086728 1032554163 /nfs/dbraw/zinc/55/41/63/1032554163.db2.gz MFTMJBHYPWGDJK-UHFFFAOYSA-N -1 3 383.242 3.764 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(Br)c1OC ZINC000560230248 1017577904 /nfs/dbraw/zinc/57/79/04/1017577904.db2.gz CKPBYQNCDPESPN-SNVBAGLBSA-N -1 3 381.251 3.721 20 30 GHEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001228133970 1032802668 /nfs/dbraw/zinc/80/26/68/1032802668.db2.gz KSYUDEJFMQJPKH-RDTXWAMCSA-N -1 3 388.464 3.685 20 30 GHEDHM N#Cc1cccc(OCc2cccc(C(=O)NCc3c([O-])cccc3F)c2)c1 ZINC001156170207 1032911165 /nfs/dbraw/zinc/91/11/65/1032911165.db2.gz IVFOAWCXXFYUJS-UHFFFAOYSA-N -1 3 376.387 3.912 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000836070380 1022609012 /nfs/dbraw/zinc/60/90/12/1022609012.db2.gz PORQEFUUJFUUCI-QZTJIDSGSA-N -1 3 386.492 3.878 20 30 GHEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3ccc([O-])c(F)c3F)CC2)C1 ZINC001140889482 1022805817 /nfs/dbraw/zinc/80/58/17/1022805817.db2.gz HIZFLUONCWZHSA-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM [O-]c1ccc(F)cc1C=NN1C(=S)N=NC1c1ccc(OC(F)F)cc1 ZINC000755552768 1023292307 /nfs/dbraw/zinc/29/23/07/1023292307.db2.gz LBTWBCOIHCRFPC-UHFFFAOYSA-N -1 3 380.351 3.562 20 30 GHEDHM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)cc1CN1CCCC1 ZINC000756899387 1023851860 /nfs/dbraw/zinc/85/18/60/1023851860.db2.gz ZAMNTUAADQQTQR-UHFFFAOYSA-N -1 3 397.475 3.834 20 30 GHEDHM COc1cnccc1[C@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])C1CC1 ZINC001163397965 1026179148 /nfs/dbraw/zinc/17/91/48/1026179148.db2.gz UJESZGLPVOSCPB-XBUYPFFFSA-N -1 3 379.873 3.627 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(Nc3ccc(C(N)=O)cc3[O-])c2)cc1 ZINC001210812682 1027661635 /nfs/dbraw/zinc/66/16/35/1027661635.db2.gz OAIIIPNETAPGEC-UHFFFAOYSA-N -1 3 389.411 3.694 20 30 GHEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC001211076159 1027776421 /nfs/dbraw/zinc/77/64/21/1027776421.db2.gz SJYAXDGVYOSDAT-CYBMUJFWSA-N -1 3 388.798 3.797 20 30 GHEDHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc2ccccc2s1 ZINC001213247549 1028068288 /nfs/dbraw/zinc/06/82/88/1028068288.db2.gz WZCOGKRFYIVMKI-UHFFFAOYSA-N -1 3 375.450 3.521 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2F)cc1Cl ZINC001213613543 1028294155 /nfs/dbraw/zinc/29/41/55/1028294155.db2.gz MGOBKHXTMQEDKU-UHFFFAOYSA-N -1 3 392.761 3.560 20 30 GHEDHM CCC(CC)C(=O)N1CCC(=NOCc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000842020837 1029032693 /nfs/dbraw/zinc/03/26/93/1029032693.db2.gz GKVUJUUJCAYDID-UHFFFAOYSA-N -1 3 396.491 3.780 20 30 GHEDHM C=CCOc1ccc(-c2noc(-c3n[n-]c4cccc(C(=O)OC)c43)n2)c(F)c1 ZINC001217512465 1030454183 /nfs/dbraw/zinc/45/41/83/1030454183.db2.gz NWCGEIUTJRONIM-UHFFFAOYSA-N -1 3 394.362 3.770 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1ccc2cc(F)ccc2n1 ZINC001153897975 1031797327 /nfs/dbraw/zinc/79/73/27/1031797327.db2.gz NKVQEDGPBMEKNH-UHFFFAOYSA-N -1 3 393.296 3.838 20 30 GHEDHM C=CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC001157222866 1033479206 /nfs/dbraw/zinc/47/92/06/1033479206.db2.gz QANKOWZFGZQBIY-RYRKJORJSA-N -1 3 381.476 3.617 20 30 GHEDHM COc1cc([O-])cc(O[C@@H]2CCc3nccn3C2)c1C(=O)/C=C/c1ccccc1 ZINC001229529705 1033541337 /nfs/dbraw/zinc/54/13/37/1033541337.db2.gz ZSOUBCXXRLXBOF-PDFOZTTASA-N -1 3 390.439 3.887 20 30 GHEDHM O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N([O-])Cc1cccc2ccccc21 ZINC001161842695 1035313684 /nfs/dbraw/zinc/31/36/84/1035313684.db2.gz MELVHIOMZHSOLY-KRWDZBQOSA-N -1 3 378.403 3.750 20 30 GHEDHM Cc1ccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC001242180283 1035853288 /nfs/dbraw/zinc/85/32/88/1035853288.db2.gz NEOYVANDOQFANG-UHFFFAOYSA-N -1 3 386.477 3.594 20 30 GHEDHM Cc1ccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC001242180283 1035853295 /nfs/dbraw/zinc/85/32/95/1035853295.db2.gz NEOYVANDOQFANG-UHFFFAOYSA-N -1 3 386.477 3.594 20 30 GHEDHM Cc1cc(Br)ccc1N1CCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233387425 1039210777 /nfs/dbraw/zinc/21/07/77/1039210777.db2.gz ISRPCBITLDHXQX-UHFFFAOYSA-N -1 3 386.293 3.657 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2[O-])C[C@H]1C(F)(F)F ZINC001233387409 1039211356 /nfs/dbraw/zinc/21/13/56/1039211356.db2.gz ICHSAGVZARSQCG-CABCVRRESA-N -1 3 399.413 3.541 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc(C(F)(F)F)c1 ZINC001259370762 1045107873 /nfs/dbraw/zinc/10/78/73/1045107873.db2.gz UIUCQZFYUBYHML-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCC(F)(F)CC3)cc2)ccc1F ZINC001259418918 1045138158 /nfs/dbraw/zinc/13/81/58/1045138158.db2.gz YAZYJSIZOKWECB-UHFFFAOYSA-N -1 3 395.406 3.734 20 30 GHEDHM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1F)c1cc(F)c(F)c(F)c1 ZINC001259500803 1045205745 /nfs/dbraw/zinc/20/57/45/1045205745.db2.gz GYSIHNKQSSOEQI-UHFFFAOYSA-N -1 3 389.248 3.942 20 30 GHEDHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1F ZINC001260463033 1045503670 /nfs/dbraw/zinc/50/36/70/1045503670.db2.gz ZGTOZIOKKMGESJ-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM N#Cc1cc(Br)cc([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC001260695444 1045613327 /nfs/dbraw/zinc/61/33/27/1045613327.db2.gz WDRJYWWMNPRIFY-UHFFFAOYSA-N -1 3 385.670 3.916 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1F ZINC001260854598 1045713981 /nfs/dbraw/zinc/71/39/81/1045713981.db2.gz BXERJVBGELBQFV-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001260944537 1045781946 /nfs/dbraw/zinc/78/19/46/1045781946.db2.gz HUIQTWKXSZZFIR-BDAKNGLRSA-N -1 3 379.297 3.893 20 30 GHEDHM O=S(=O)([N-]Cc1ccc(F)c(F)c1F)c1ccc(F)cc1C(F)(F)F ZINC001261011087 1045828959 /nfs/dbraw/zinc/82/89/59/1045828959.db2.gz GUKPEGDPZJRFIV-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC4(CCCCO4)CC3)n2C)c1[O-] ZINC001262918136 1046420731 /nfs/dbraw/zinc/42/07/31/1046420731.db2.gz IBSBRDGFRYAOAS-UHFFFAOYSA-N -1 3 382.508 3.846 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001301265898 1046438161 /nfs/dbraw/zinc/43/81/61/1046438161.db2.gz LTOAEQLXLRPFJI-OAHLLOKOSA-N -1 3 385.197 3.807 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cnn1CCC(C)C ZINC001263332659 1046718402 /nfs/dbraw/zinc/71/84/02/1046718402.db2.gz VQDHDMVEIGWECR-IBGZPJMESA-N -1 3 375.476 3.973 20 30 GHEDHM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3n[nH]c(C4CC4)c3C#N)on2)c1 ZINC001302306275 1046905246 /nfs/dbraw/zinc/90/52/46/1046905246.db2.gz GJNGZRBVSFPOCT-UHFFFAOYSA-N -1 3 383.795 3.728 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001306896885 1048949766 /nfs/dbraw/zinc/94/97/66/1048949766.db2.gz PZCDWBJJHDDHRT-KRWDZBQOSA-N -1 3 393.553 3.736 20 30 GHEDHM CC(C)(C)OC(=O)N1[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC[C@H]1C1CC1 ZINC001306898655 1048950531 /nfs/dbraw/zinc/95/05/31/1048950531.db2.gz MDIPIQKRWGHLLX-DLBZAZTESA-N -1 3 378.444 3.722 20 30 GHEDHM C=CCCC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001309807500 1050983314 /nfs/dbraw/zinc/98/33/14/1050983314.db2.gz RCMYZPLBIODJAC-KRWDZBQOSA-N -1 3 390.461 3.979 20 30 GHEDHM C=CC(C)(C)CCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC001310175594 1051207607 /nfs/dbraw/zinc/20/76/07/1051207607.db2.gz BCCVYGIITCNTGH-UHFFFAOYSA-N -1 3 383.514 3.571 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001336662686 1052299415 /nfs/dbraw/zinc/29/94/15/1052299415.db2.gz FDNYQGSDSJIDHV-NSHDSACASA-N -1 3 375.831 3.878 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001342854419 1053390832 /nfs/dbraw/zinc/39/08/32/1053390832.db2.gz VBCRIBSLIDPSOO-UHFFFAOYSA-N -1 3 387.484 3.533 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2cc(C([O-])=C(C#N)c3ccccn3)sc2C1 ZINC001343496429 1053813503 /nfs/dbraw/zinc/81/35/03/1053813503.db2.gz ZTRDQJCKOBQLIM-CQSZACIVSA-N -1 3 383.473 3.926 20 30 GHEDHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1nccn1Cc1ccccc1 ZINC001343842445 1054060993 /nfs/dbraw/zinc/06/09/93/1054060993.db2.gz MNUIKTMMHULCFC-MRXNPFEDSA-N -1 3 387.365 3.570 20 30 GHEDHM CC(C)(C)OC(=O)NC(=CNNc1ccc(CC(=O)[O-])cc1)CC(F)(F)F ZINC000848415119 1057074340 /nfs/dbraw/zinc/07/43/40/1057074340.db2.gz WRAMFDWEWFBUOF-CYBMUJFWSA-N -1 3 389.374 3.557 20 30 GHEDHM N#Cc1ccc(C2([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)CCC2)cc1 ZINC000848502259 1057135997 /nfs/dbraw/zinc/13/59/97/1057135997.db2.gz KBKFJOKHDCNDJO-UHFFFAOYSA-N -1 3 382.272 3.618 20 30 GHEDHM C[C@@H]1CCc2nc([N-]C(=O)c3cnc(Br)s3)c(C#N)cc2C1 ZINC001338376123 1058535036 /nfs/dbraw/zinc/53/50/36/1058535036.db2.gz KKNKGWXCOZPDNE-MRVPVSSYSA-N -1 3 377.267 3.549 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(C)(C#N)CC1 ZINC001340755775 1060099347 /nfs/dbraw/zinc/09/93/47/1060099347.db2.gz GCNYGPNCWFNPHH-UHFFFAOYSA-N -1 3 385.899 3.738 20 30 GHEDHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1c[nH]c(C(F)(F)F)c1 ZINC001347280124 1062266034 /nfs/dbraw/zinc/26/60/34/1062266034.db2.gz BMGXHLMIGAKBTD-NSHDSACASA-N -1 3 390.280 3.755 20 30 GHEDHM CCCCCCCC[C@@H](C)C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001348430986 1063071949 /nfs/dbraw/zinc/07/19/49/1063071949.db2.gz YWUYZUPSUNWTSY-MRXNPFEDSA-N -1 3 376.545 3.962 20 30 GHEDHM Cn1ncc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1Br ZINC001457993094 1063493237 /nfs/dbraw/zinc/49/32/37/1063493237.db2.gz GUKNHDZQQGIWMR-UHFFFAOYSA-N -1 3 379.041 3.521 20 30 GHEDHM O=C(c1cc(Br)cn2ccnc12)N([O-])Cc1ccccc1Cl ZINC001457994154 1063494234 /nfs/dbraw/zinc/49/42/34/1063494234.db2.gz PPPIYMOLLPDAQD-UHFFFAOYSA-N -1 3 380.629 3.782 20 30 GHEDHM O=C(c1cnnn1-c1c(Cl)cccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC001458025648 1063511882 /nfs/dbraw/zinc/51/18/82/1063511882.db2.gz KDIDKNLNWYYFKH-UHFFFAOYSA-N -1 3 381.194 3.745 20 30 GHEDHM C=CCC1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCCC1 ZINC001460026755 1064356015 /nfs/dbraw/zinc/35/60/15/1064356015.db2.gz LLXCHCICLIETLR-UHFFFAOYSA-N -1 3 396.528 3.769 20 30 GHEDHM C#CCC1([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCC1 ZINC001464610646 1065109110 /nfs/dbraw/zinc/10/91/10/1065109110.db2.gz PUIJIURPYDHSCR-UHFFFAOYSA-N -1 3 396.228 3.692 20 30 GHEDHM C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001465535560 1065697157 /nfs/dbraw/zinc/69/71/57/1065697157.db2.gz NXHJCYJDKLLDJH-YFKPBYRVSA-N -1 3 385.243 3.864 20 30 GHEDHM O=C(CCn1c(=O)oc2cc(Cl)ccc21)N([O-])Cc1ccccc1Cl ZINC001472618800 1073579373 /nfs/dbraw/zinc/57/93/73/1073579373.db2.gz ITISJWCNRKEIBM-UHFFFAOYSA-N -1 3 381.215 3.709 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C2SCCS2)c1 ZINC000015820172 221345449 /nfs/dbraw/zinc/34/54/49/221345449.db2.gz OHNFEZAISREWKN-UHFFFAOYSA-N -1 3 399.541 3.913 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737710494 598921937 /nfs/dbraw/zinc/92/19/37/598921937.db2.gz YKTWJCDKGTUWTE-UHFFFAOYSA-N -1 3 394.438 3.776 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737710494 598921940 /nfs/dbraw/zinc/92/19/40/598921940.db2.gz YKTWJCDKGTUWTE-UHFFFAOYSA-N -1 3 394.438 3.776 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000737718768 598926618 /nfs/dbraw/zinc/92/66/18/598926618.db2.gz MVBOLXWNJSFUFJ-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)cc1 ZINC000737718768 598926619 /nfs/dbraw/zinc/92/66/19/598926619.db2.gz MVBOLXWNJSFUFJ-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716935 598927431 /nfs/dbraw/zinc/92/74/31/598927431.db2.gz XGAUZONWAVSNMI-GXTWGEPZSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716935 598927433 /nfs/dbraw/zinc/92/74/33/598927433.db2.gz XGAUZONWAVSNMI-GXTWGEPZSA-N -1 3 399.241 3.787 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(F)c(Br)c1 ZINC000823504537 599115396 /nfs/dbraw/zinc/11/53/96/599115396.db2.gz RBSQJFOSARQBMB-GHXNOFRVSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(F)c(Br)c1 ZINC000823504537 599115398 /nfs/dbraw/zinc/11/53/98/599115398.db2.gz RBSQJFOSARQBMB-GHXNOFRVSA-N -1 3 399.223 3.981 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(Br)s2)cc1-c1nnn[n-]1 ZINC000737080644 599150678 /nfs/dbraw/zinc/15/06/78/599150678.db2.gz FMHBCVBAXKUJNC-RQOWECAXSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(Br)s2)cc1-c1nn[n-]n1 ZINC000737080644 599150681 /nfs/dbraw/zinc/15/06/81/599150681.db2.gz FMHBCVBAXKUJNC-RQOWECAXSA-N -1 3 391.250 3.595 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000735418997 599183714 /nfs/dbraw/zinc/18/37/14/599183714.db2.gz NYHSPYADWYCPDL-CQSZACIVSA-N -1 3 381.867 3.838 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000735418997 599183716 /nfs/dbraw/zinc/18/37/16/599183716.db2.gz NYHSPYADWYCPDL-CQSZACIVSA-N -1 3 381.867 3.838 20 30 GHEDHM CN(Cc1cccc(C#N)c1)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000736822673 599269324 /nfs/dbraw/zinc/26/93/24/599269324.db2.gz PEMGVDIDGVVYMJ-UHFFFAOYSA-N -1 3 375.823 3.576 20 30 GHEDHM CN(Cc1cccc(C#N)c1)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000736822673 599269325 /nfs/dbraw/zinc/26/93/25/599269325.db2.gz PEMGVDIDGVVYMJ-UHFFFAOYSA-N -1 3 375.823 3.576 20 30 GHEDHM FC(F)(F)c1cc(NN=C2CSCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737632652 598314691 /nfs/dbraw/zinc/31/46/91/598314691.db2.gz MBYZYVIUIINNPL-UHFFFAOYSA-N -1 3 390.394 3.949 20 30 GHEDHM FC(F)(F)c1cc(NN=C2CSCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737632652 598314693 /nfs/dbraw/zinc/31/46/93/598314693.db2.gz MBYZYVIUIINNPL-UHFFFAOYSA-N -1 3 390.394 3.949 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCCc2sccc21 ZINC000819743108 607350358 /nfs/dbraw/zinc/35/03/58/607350358.db2.gz CSGXRHYYNUNFQN-KRWDZBQOSA-N -1 3 379.489 3.563 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCCc2sccc21 ZINC000819743108 607350359 /nfs/dbraw/zinc/35/03/59/607350359.db2.gz CSGXRHYYNUNFQN-KRWDZBQOSA-N -1 3 379.489 3.563 20 30 GHEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H](Cc1ccccc1)c1ccccc1 ZINC000737705940 598569883 /nfs/dbraw/zinc/56/98/83/598569883.db2.gz RPKREGGILFAJQZ-GOSISDBHSA-N -1 3 399.483 3.792 20 30 GHEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H](Cc1ccccc1)c1ccccc1 ZINC000737705940 598569885 /nfs/dbraw/zinc/56/98/85/598569885.db2.gz RPKREGGILFAJQZ-GOSISDBHSA-N -1 3 399.483 3.792 20 30 GHEDHM FC(F)(F)c1cc(NN=C2CCCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737631018 598641768 /nfs/dbraw/zinc/64/17/68/598641768.db2.gz BDVPPLQOPTVIOJ-UHFFFAOYSA-N -1 3 388.353 3.874 20 30 GHEDHM N#Cc1cccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737723529 598821950 /nfs/dbraw/zinc/82/19/50/598821950.db2.gz VIMSUYPJJDNWGG-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737723529 598821951 /nfs/dbraw/zinc/82/19/51/598821951.db2.gz VIMSUYPJJDNWGG-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735504675 599329954 /nfs/dbraw/zinc/32/99/54/599329954.db2.gz NMPZPJIEYNVKJU-CQSZACIVSA-N -1 3 380.477 3.609 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735504675 599329956 /nfs/dbraw/zinc/32/99/56/599329956.db2.gz NMPZPJIEYNVKJU-CQSZACIVSA-N -1 3 380.477 3.609 20 30 GHEDHM Clc1ccc(OC[C@H]2CCCO2)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822578056 599335796 /nfs/dbraw/zinc/33/57/96/599335796.db2.gz BBHMCCBISRPJSD-QGZVFWFLSA-N -1 3 398.854 3.524 20 30 GHEDHM Clc1ccc(OC[C@H]2CCCO2)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822578056 599335799 /nfs/dbraw/zinc/33/57/99/599335799.db2.gz BBHMCCBISRPJSD-QGZVFWFLSA-N -1 3 398.854 3.524 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822241294 599348321 /nfs/dbraw/zinc/34/83/21/599348321.db2.gz QXRVJTFHXZSGHA-HNNXBMFYSA-N -1 3 392.488 3.603 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822241294 599348324 /nfs/dbraw/zinc/34/83/24/599348324.db2.gz QXRVJTFHXZSGHA-HNNXBMFYSA-N -1 3 392.488 3.603 20 30 GHEDHM C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820396549 599531398 /nfs/dbraw/zinc/53/13/98/599531398.db2.gz GIQPXVZXONPWKI-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820396549 599531400 /nfs/dbraw/zinc/53/14/00/599531400.db2.gz GIQPXVZXONPWKI-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM CCOc1cc(C(=O)C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)[O-] ZINC000737179677 600056028 /nfs/dbraw/zinc/05/60/28/600056028.db2.gz QBNJYVHJEUGKHC-ZDUSSCGKSA-N -1 3 396.424 3.648 20 30 GHEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000739105981 600566568 /nfs/dbraw/zinc/56/65/68/600566568.db2.gz PESMMHABENGWJN-LJQANCHMSA-N -1 3 382.847 3.932 20 30 GHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000827716713 601302880 /nfs/dbraw/zinc/30/28/80/601302880.db2.gz AJOZPTLIKLWMBM-SJKOYZFVSA-N -1 3 378.350 3.976 20 30 GHEDHM CCOc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000830044709 601311279 /nfs/dbraw/zinc/31/12/79/601311279.db2.gz QEFPOETXPALWCI-GOSISDBHSA-N -1 3 390.386 3.816 20 30 GHEDHM C=CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000823894718 607756507 /nfs/dbraw/zinc/75/65/07/607756507.db2.gz WQLTXIMTAVDANR-CYBMUJFWSA-N -1 3 390.369 3.651 20 30 GHEDHM C=CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000823894718 607756508 /nfs/dbraw/zinc/75/65/08/607756508.db2.gz WQLTXIMTAVDANR-CYBMUJFWSA-N -1 3 390.369 3.651 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CNc1cc(-c2nnn[n-]2)ccc1C ZINC000819758781 606453217 /nfs/dbraw/zinc/45/32/17/606453217.db2.gz HESDUTAEXVQQHE-UHFFFAOYSA-N -1 3 380.477 3.504 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CNc1cc(-c2nn[n-]n2)ccc1C ZINC000819758781 606453219 /nfs/dbraw/zinc/45/32/19/606453219.db2.gz HESDUTAEXVQQHE-UHFFFAOYSA-N -1 3 380.477 3.504 20 30 GHEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(C#N)cc2OC(F)F)n1 ZINC000822193325 606589110 /nfs/dbraw/zinc/58/91/10/606589110.db2.gz SPMKPGPSRSCPMJ-UHFFFAOYSA-N -1 3 388.403 3.644 20 30 GHEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(C#N)cc2OC(F)F)n1 ZINC000822193325 606589112 /nfs/dbraw/zinc/58/91/12/606589112.db2.gz SPMKPGPSRSCPMJ-UHFFFAOYSA-N -1 3 388.403 3.644 20 30 GHEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000822833308 606591376 /nfs/dbraw/zinc/59/13/76/606591376.db2.gz NVBFVCLTFCRTBI-UHFFFAOYSA-N -1 3 377.351 3.771 20 30 GHEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000822833308 606591378 /nfs/dbraw/zinc/59/13/78/606591378.db2.gz NVBFVCLTFCRTBI-UHFFFAOYSA-N -1 3 377.351 3.771 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000820556911 606628166 /nfs/dbraw/zinc/62/81/66/606628166.db2.gz WFTCQUJUOKZYDH-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1cccc(C#N)c1 ZINC000820556911 606628170 /nfs/dbraw/zinc/62/81/70/606628170.db2.gz WFTCQUJUOKZYDH-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820556882 606628348 /nfs/dbraw/zinc/62/83/48/606628348.db2.gz WALXBGKCBXUBCU-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820556882 606628350 /nfs/dbraw/zinc/62/83/50/606628350.db2.gz WALXBGKCBXUBCU-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000819743287 606629378 /nfs/dbraw/zinc/62/93/78/606629378.db2.gz GIRREGGNBXKGSH-LBPRGKRZSA-N -1 3 387.896 3.900 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000819743287 606629379 /nfs/dbraw/zinc/62/93/79/606629379.db2.gz GIRREGGNBXKGSH-LBPRGKRZSA-N -1 3 387.896 3.900 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc(Br)ccc1F ZINC000822923756 606837193 /nfs/dbraw/zinc/83/71/93/606837193.db2.gz TWXMPXOJENDKMZ-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc(Br)ccc1F ZINC000822923756 606837194 /nfs/dbraw/zinc/83/71/94/606837194.db2.gz TWXMPXOJENDKMZ-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000822766469 606966806 /nfs/dbraw/zinc/96/68/06/606966806.db2.gz KANFYBYMSRTHQA-NXEZZACHSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000822766469 606966808 /nfs/dbraw/zinc/96/68/08/606966808.db2.gz KANFYBYMSRTHQA-NXEZZACHSA-N -1 3 397.298 3.569 20 30 GHEDHM C=C[C@@H](CC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823882675 607970395 /nfs/dbraw/zinc/97/03/95/607970395.db2.gz BMLYOOSYJSAXLS-SFHVURJKSA-N -1 3 375.476 3.965 20 30 GHEDHM C=C[C@@H](CC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882675 607970396 /nfs/dbraw/zinc/97/03/96/607970396.db2.gz BMLYOOSYJSAXLS-SFHVURJKSA-N -1 3 375.476 3.965 20 30 GHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CC2 ZINC000824347665 608015225 /nfs/dbraw/zinc/01/52/25/608015225.db2.gz JOEKOSPHSCJAMV-SXGWCWSVSA-N -1 3 384.443 3.850 20 30 GHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CC2 ZINC000824347665 608015226 /nfs/dbraw/zinc/01/52/26/608015226.db2.gz JOEKOSPHSCJAMV-SXGWCWSVSA-N -1 3 384.443 3.850 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824722066 608185548 /nfs/dbraw/zinc/18/55/48/608185548.db2.gz GASLUNQJFOIEDU-SNVBAGLBSA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824722066 608185549 /nfs/dbraw/zinc/18/55/49/608185549.db2.gz GASLUNQJFOIEDU-SNVBAGLBSA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000824755160 608207113 /nfs/dbraw/zinc/20/71/13/608207113.db2.gz JUZVNCUEIMMECH-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1cccc(C#N)c1 ZINC000824755160 608207116 /nfs/dbraw/zinc/20/71/16/608207116.db2.gz JUZVNCUEIMMECH-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1cc(-c2nnn[n-]2)cs1)CC3 ZINC000826212595 608228673 /nfs/dbraw/zinc/22/86/73/608228673.db2.gz VKODQPQYUUEKAK-UXBLZVDNSA-N -1 3 377.429 3.631 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1cc(-c2nn[n-]n2)cs1)CC3 ZINC000826212595 608228674 /nfs/dbraw/zinc/22/86/74/608228674.db2.gz VKODQPQYUUEKAK-UXBLZVDNSA-N -1 3 377.429 3.631 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1F)CC3 ZINC000826212670 608229186 /nfs/dbraw/zinc/22/91/86/608229186.db2.gz XROIWCILMIBSRD-XYOKQWHBSA-N -1 3 389.390 3.708 20 30 GHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1F)CC3 ZINC000826212670 608229188 /nfs/dbraw/zinc/22/91/88/608229188.db2.gz XROIWCILMIBSRD-XYOKQWHBSA-N -1 3 389.390 3.708 20 30 GHEDHM Clc1ccc2c(c1)C(=NNc1cc(-c3nnn[n-]3)cc(Cl)n1)CCS2 ZINC000826352945 608536623 /nfs/dbraw/zinc/53/66/23/608536623.db2.gz UYVZNVUZEWXMPX-UHFFFAOYSA-N -1 3 392.275 3.881 20 30 GHEDHM Clc1ccc2c(c1)C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)CCS2 ZINC000826352945 608536624 /nfs/dbraw/zinc/53/66/24/608536624.db2.gz UYVZNVUZEWXMPX-UHFFFAOYSA-N -1 3 392.275 3.881 20 30 GHEDHM Cc1ccc(OC(F)F)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000823953680 608536708 /nfs/dbraw/zinc/53/67/08/608536708.db2.gz LRQHWPWYGGNXGQ-UHFFFAOYSA-N -1 3 393.785 3.661 20 30 GHEDHM Cc1ccc(OC(F)F)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000823953680 608536709 /nfs/dbraw/zinc/53/67/09/608536709.db2.gz LRQHWPWYGGNXGQ-UHFFFAOYSA-N -1 3 393.785 3.661 20 30 GHEDHM N#Cc1ccc(OC2CCC(Nc3ccc(Cl)cc3-c3nnn[n-]3)CC2)nc1 ZINC000826385883 608557601 /nfs/dbraw/zinc/55/76/01/608557601.db2.gz GFAXKTAPUSHFJD-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1ccc(OC2CCC(Nc3ccc(Cl)cc3-c3nn[n-]n3)CC2)nc1 ZINC000826385883 608557602 /nfs/dbraw/zinc/55/76/02/608557602.db2.gz GFAXKTAPUSHFJD-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(-c2cccs2)n1 ZINC000826359348 608754508 /nfs/dbraw/zinc/75/45/08/608754508.db2.gz DGAMSXGCSVDEPI-RAXLEYEMSA-N -1 3 388.456 3.541 20 30 GHEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(-c2cccs2)n1 ZINC000826359348 608754510 /nfs/dbraw/zinc/75/45/10/608754510.db2.gz DGAMSXGCSVDEPI-RAXLEYEMSA-N -1 3 388.456 3.541 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2ccc(Br)cc21 ZINC000826475371 608755654 /nfs/dbraw/zinc/75/56/54/608755654.db2.gz DDNFRGGMTUMGRC-BJMVGYQFSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2ccc(Br)cc21 ZINC000826475371 608755657 /nfs/dbraw/zinc/75/56/57/608755657.db2.gz DDNFRGGMTUMGRC-BJMVGYQFSA-N -1 3 387.262 3.903 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC(F)F ZINC000826190829 609271736 /nfs/dbraw/zinc/27/17/36/609271736.db2.gz OMAZCESULBEZBL-QHHAFSJGSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC(F)F ZINC000826190829 609271737 /nfs/dbraw/zinc/27/17/37/609271737.db2.gz OMAZCESULBEZBL-QHHAFSJGSA-N -1 3 390.321 3.512 20 30 GHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825415441 609271857 /nfs/dbraw/zinc/27/18/57/609271857.db2.gz AAGVYESRGGUPTI-UXBLZVDNSA-N -1 3 383.402 3.887 20 30 GHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825415441 609271859 /nfs/dbraw/zinc/27/18/59/609271859.db2.gz AAGVYESRGGUPTI-UXBLZVDNSA-N -1 3 383.402 3.887 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824113747 609308652 /nfs/dbraw/zinc/30/86/52/609308652.db2.gz BIMIBNPAURCWOQ-ZHACJKMWSA-N -1 3 376.416 3.718 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824113747 609308654 /nfs/dbraw/zinc/30/86/54/609308654.db2.gz BIMIBNPAURCWOQ-ZHACJKMWSA-N -1 3 376.416 3.718 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826289930 609309099 /nfs/dbraw/zinc/30/90/99/609309099.db2.gz RWILRJUGTNNIGI-POHAHGRESA-N -1 3 388.406 3.704 20 30 GHEDHM CC(C)Oc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1-c1nnn[n-]1 ZINC000824329891 609492204 /nfs/dbraw/zinc/49/22/04/609492204.db2.gz XMTLOXATRCINNG-AWEZNQCLSA-N -1 3 378.436 3.557 20 30 GHEDHM CC(C)Oc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1-c1nn[n-]n1 ZINC000824329891 609492205 /nfs/dbraw/zinc/49/22/05/609492205.db2.gz XMTLOXATRCINNG-AWEZNQCLSA-N -1 3 378.436 3.557 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000107515178 834731784 /nfs/dbraw/zinc/73/17/84/834731784.db2.gz RLIGXDOJOYBNPK-UHFFFAOYSA-N -1 3 392.362 3.564 20 30 GHEDHM C=CC[C@H]1CCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000890553215 834897053 /nfs/dbraw/zinc/89/70/53/834897053.db2.gz XNEKCGZZBWCPRV-JTQLQIEISA-N -1 3 381.657 3.735 20 30 GHEDHM C=CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000683174406 834919099 /nfs/dbraw/zinc/91/90/99/834919099.db2.gz OCVADNZWIGVDLT-QGZVFWFLSA-N -1 3 376.250 3.929 20 30 GHEDHM N#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC000468397249 835014740 /nfs/dbraw/zinc/01/47/40/835014740.db2.gz JXJMWTAUXRKHLI-MRXNPFEDSA-N -1 3 391.240 3.998 20 30 GHEDHM N#CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000431631210 835919475 /nfs/dbraw/zinc/91/94/75/835919475.db2.gz QGWQGEQQKCCTJI-HNNXBMFYSA-N -1 3 393.852 3.962 20 30 GHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnc(C(=O)OC(C)(C)C)cn3)sc2C1 ZINC000548959635 836762394 /nfs/dbraw/zinc/76/23/94/836762394.db2.gz ZMNZBHKTKWCZCN-NSHDSACASA-N -1 3 398.488 3.742 20 30 GHEDHM Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(Br)c1 ZINC000051266441 837942294 /nfs/dbraw/zinc/94/22/94/837942294.db2.gz CGKNJBQGPQRNJH-ZETCQYMHSA-N -1 3 393.163 3.950 20 30 GHEDHM Cc1ccc(O[C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(Br)c1 ZINC000051266441 837942305 /nfs/dbraw/zinc/94/23/05/837942305.db2.gz CGKNJBQGPQRNJH-ZETCQYMHSA-N -1 3 393.163 3.950 20 30 GHEDHM O=C1CCCN1Cc1ccccc1C/N=C\c1cc(Br)ccc1[O-] ZINC000255116470 837967981 /nfs/dbraw/zinc/96/79/81/837967981.db2.gz KHZINIJYPLSOKS-MTJSOVHGSA-N -1 3 387.277 3.896 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C(F)(F)F)cs1 ZINC000435424104 844340705 /nfs/dbraw/zinc/34/07/05/844340705.db2.gz UDIZHNSQLJFMKI-QMMMGPOBSA-N -1 3 381.426 3.525 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066802320 838547134 /nfs/dbraw/zinc/54/71/34/838547134.db2.gz SITNYOLPAVCLAD-ZDUSSCGKSA-N -1 3 394.500 3.829 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(Br)cc1 ZINC000041481852 838628029 /nfs/dbraw/zinc/62/80/29/838628029.db2.gz RRHRGVIFTPSHPR-OAHLLOKOSA-N -1 3 381.233 3.828 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCc3ccccc3)c2)c1 ZINC000121279922 840811809 /nfs/dbraw/zinc/81/18/09/840811809.db2.gz ZQDCMUFUXBTZIG-FQEVSTJZSA-N -1 3 385.423 3.930 20 30 GHEDHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000417633434 841072523 /nfs/dbraw/zinc/07/25/23/841072523.db2.gz BFMKKBMFAIRSMN-ZUZCIYMTSA-N -1 3 379.279 3.934 20 30 GHEDHM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3cccc(C)c3)cs2)n1C ZINC000136592881 841684473 /nfs/dbraw/zinc/68/44/73/841684473.db2.gz NQBLGVKXFCZQRK-OAHLLOKOSA-N -1 3 378.457 3.727 20 30 GHEDHM Cc1cc(Br)cc2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)oc21 ZINC000123468551 841775831 /nfs/dbraw/zinc/77/58/31/841775831.db2.gz VXXIDTKIISWYQQ-ZDUSSCGKSA-N -1 3 398.216 3.860 20 30 GHEDHM Cc1ccc([C@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c(C)c1 ZINC000279703269 843244289 /nfs/dbraw/zinc/24/42/89/843244289.db2.gz PAECNEXTRKYMSK-SFHVURJKSA-N -1 3 377.488 3.841 20 30 GHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)sc2C1 ZINC000603941383 861427695 /nfs/dbraw/zinc/42/76/95/861427695.db2.gz LXXNBWKQKFMSEJ-SECBINFHSA-N -1 3 385.401 3.634 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(-c2ccccc2)o1 ZINC000512704628 845077264 /nfs/dbraw/zinc/07/72/64/845077264.db2.gz SBUJNYAHXJZPMD-UHFFFAOYSA-N -1 3 375.428 3.785 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2F)oc1C ZINC000121747185 846015332 /nfs/dbraw/zinc/01/53/32/846015332.db2.gz WKAFBUZILAKVLN-CQSZACIVSA-N -1 3 393.374 3.759 20 30 GHEDHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183017205 846215095 /nfs/dbraw/zinc/21/50/95/846215095.db2.gz XIUAXDQBPZFCBU-UHFFFAOYSA-N -1 3 384.244 3.624 20 30 GHEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000908635491 850231657 /nfs/dbraw/zinc/23/16/57/850231657.db2.gz MCGPKOZNBFCYAY-LBPRGKRZSA-N -1 3 379.482 3.630 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000151028570 852952420 /nfs/dbraw/zinc/95/24/20/852952420.db2.gz YLVDOTOZXOOAJA-UHFFFAOYSA-N -1 3 383.835 3.674 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3occc3C(C)C)no2)ccc1F ZINC000426193819 852994498 /nfs/dbraw/zinc/99/44/98/852994498.db2.gz WRTUKBABSYXRFB-UHFFFAOYSA-N -1 3 391.424 3.723 20 30 GHEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000732707600 862453704 /nfs/dbraw/zinc/45/37/04/862453704.db2.gz AVASFUSRTJWXDJ-OAHLLOKOSA-N -1 3 378.819 3.795 20 30 GHEDHM Cn1nccc1[C@H]1[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CCC(=O)N1C1CC1 ZINC000328947655 854613083 /nfs/dbraw/zinc/61/30/83/854613083.db2.gz KGHNPPQEPNFFSE-FZKQIMNGSA-N -1 3 388.855 3.509 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=Cc1cnc(C)s1 ZINC000732900009 862595892 /nfs/dbraw/zinc/59/58/92/862595892.db2.gz FAUCBGSAKSJZTO-ZFDPJTLLSA-N -1 3 389.864 3.783 20 30 GHEDHM C=CC(C)(C)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000458991612 855086632 /nfs/dbraw/zinc/08/66/32/855086632.db2.gz UJMJSIPWHJJQDS-UHFFFAOYSA-N -1 3 379.888 3.618 20 30 GHEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)cc1 ZINC000520607269 855771638 /nfs/dbraw/zinc/77/16/38/855771638.db2.gz FBNCYKIPJQBUOS-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1Cl ZINC000110590480 856610323 /nfs/dbraw/zinc/61/03/23/856610323.db2.gz YUWUPUQAIDOKHA-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#CCC[C@@H](NC(=O)N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1 ZINC000482232518 862832855 /nfs/dbraw/zinc/83/28/55/862832855.db2.gz OHQPLINOAGCDFS-MRXNPFEDSA-N -1 3 398.264 3.685 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000485945026 857236616 /nfs/dbraw/zinc/23/66/16/857236616.db2.gz ZEOGIYFXNHMZFP-CYBMUJFWSA-N -1 3 388.798 3.836 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)ccc1F ZINC001128211941 857263606 /nfs/dbraw/zinc/26/36/06/857263606.db2.gz VEBOFVKFXIRQPW-WBVHZDCISA-N -1 3 396.528 3.625 20 30 GHEDHM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1Cl ZINC000574280647 857493491 /nfs/dbraw/zinc/49/34/91/857493491.db2.gz KOTOZLVAKDQJQA-UHFFFAOYSA-N -1 3 399.944 3.940 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000389572813 857630927 /nfs/dbraw/zinc/63/09/27/857630927.db2.gz WPEUUQYNVCBWEI-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n1 ZINC000605362527 863009419 /nfs/dbraw/zinc/00/94/19/863009419.db2.gz IHMAHZZHZMUECR-HNNXBMFYSA-N -1 3 385.427 3.864 20 30 GHEDHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)CC(F)(F)F ZINC000595418866 858525525 /nfs/dbraw/zinc/52/55/25/858525525.db2.gz UHDNIYKETMUBKM-UHFFFAOYSA-N -1 3 399.232 3.578 20 30 GHEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCCN1c1ccccc1F ZINC000761183332 858925504 /nfs/dbraw/zinc/92/55/04/858925504.db2.gz YPLUTGFNIFUOEZ-UGVMZYNRSA-N -1 3 391.240 3.908 20 30 GHEDHM O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000068541625 859077956 /nfs/dbraw/zinc/07/79/56/859077956.db2.gz FOXMRKGKUQLWDZ-UHFFFAOYSA-N -1 3 385.346 3.841 20 30 GHEDHM O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000068541625 859077962 /nfs/dbraw/zinc/07/79/62/859077962.db2.gz FOXMRKGKUQLWDZ-UHFFFAOYSA-N -1 3 385.346 3.841 20 30 GHEDHM C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000198840259 859454693 /nfs/dbraw/zinc/45/46/93/859454693.db2.gz ZCVVKTJRDLOBKU-UHFFFAOYSA-N -1 3 394.427 3.860 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc(NC(C)=O)c1OC ZINC000474447213 860119022 /nfs/dbraw/zinc/11/90/22/860119022.db2.gz PWCXWVBUSWOFKU-ZDUSSCGKSA-N -1 3 387.461 3.732 20 30 GHEDHM N#Cc1ccc(C2CCN(Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CC2)cc1 ZINC000904262822 860281898 /nfs/dbraw/zinc/28/18/98/860281898.db2.gz LRTBCBWDVPRRKP-UHFFFAOYSA-N -1 3 393.487 3.832 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C(=O)OCc3ccccc3)c2)c1[O-] ZINC000729937439 860467884 /nfs/dbraw/zinc/46/78/84/860467884.db2.gz RRGYGSLYNHFADY-UHFFFAOYSA-N -1 3 376.412 3.696 20 30 GHEDHM N#Cc1cc(F)c(NCc2cc(=O)[n-]c(C3CCC3)n2)cc1Br ZINC000603414765 860691508 /nfs/dbraw/zinc/69/15/08/860691508.db2.gz CXXBBZYAKYUCNO-UHFFFAOYSA-N -1 3 377.217 3.835 20 30 GHEDHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000606714610 863796577 /nfs/dbraw/zinc/79/65/77/863796577.db2.gz NDVWSILESINSJY-UWVGGRQHSA-N -1 3 388.283 3.804 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(-c2c(F)cccc2F)o1 ZINC000734365816 864178645 /nfs/dbraw/zinc/17/86/45/864178645.db2.gz UIDWEVPMNJXDBD-UHFFFAOYSA-N -1 3 376.384 3.678 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Cl)ccc1OCC#N ZINC000735341096 864757873 /nfs/dbraw/zinc/75/78/73/864757873.db2.gz YVXGNEVHYLOOTH-UHFFFAOYSA-N -1 3 399.834 3.508 20 30 GHEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2)nc2ccccc21 ZINC000622650274 865123191 /nfs/dbraw/zinc/12/31/91/865123191.db2.gz IOSMMXKZQNZWDM-CQSZACIVSA-N -1 3 375.819 3.902 20 30 GHEDHM CCCCCCCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736447689 865209431 /nfs/dbraw/zinc/20/94/31/865209431.db2.gz GORHPVIFLLZBHD-UHFFFAOYSA-N -1 3 377.514 3.733 20 30 GHEDHM CCCCCCCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736447689 865209448 /nfs/dbraw/zinc/20/94/48/865209448.db2.gz GORHPVIFLLZBHD-UHFFFAOYSA-N -1 3 377.514 3.733 20 30 GHEDHM CC(C)(C#N)CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000785422634 865830428 /nfs/dbraw/zinc/83/04/28/865830428.db2.gz NSQWXFJIAHACKL-UHFFFAOYSA-N -1 3 390.436 3.723 20 30 GHEDHM CC1(C)CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)[C@@H]1C#N ZINC000444401652 866066954 /nfs/dbraw/zinc/06/69/54/866066954.db2.gz AEPWKSIWZNECNP-CQSZACIVSA-N -1 3 393.365 3.581 20 30 GHEDHM C[C@]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)(C1CC1)C(F)(F)F ZINC000479166022 867268749 /nfs/dbraw/zinc/26/87/49/867268749.db2.gz YKCKLPCYYOMTJP-LBPRGKRZSA-N -1 3 386.317 3.586 20 30 GHEDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C#Cc4ccccn4)c3)ccc2O1 ZINC000479294111 867530322 /nfs/dbraw/zinc/53/03/22/867530322.db2.gz YHIIZECGCSJESO-MRXNPFEDSA-N -1 3 390.464 3.606 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c(C)c1 ZINC000479322212 867564436 /nfs/dbraw/zinc/56/44/36/867564436.db2.gz XITBFWYYQHLYIQ-UHFFFAOYSA-N -1 3 378.453 3.599 20 30 GHEDHM Cc1c(C(=O)[N-]c2sccc2C#N)sc2nc3n(c(=O)c12)CCCCC3 ZINC000021345345 867690583 /nfs/dbraw/zinc/69/05/83/867690583.db2.gz AQJMHOVFNLKRJB-UHFFFAOYSA-N -1 3 384.486 3.678 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccccc3)n2C)n1 ZINC000744070844 868567172 /nfs/dbraw/zinc/56/71/72/868567172.db2.gz BPMBMLGSPVMWAU-CQSZACIVSA-N -1 3 379.441 3.815 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3coc4ccccc34)no2)ccc1F ZINC000445553203 868656834 /nfs/dbraw/zinc/65/68/34/868656834.db2.gz LXQAZWCPZHVBFS-UHFFFAOYSA-N -1 3 399.403 3.753 20 30 GHEDHM CC#CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000744460487 868836903 /nfs/dbraw/zinc/83/69/03/868836903.db2.gz UCFLDSFIRUSGAX-NSHDSACASA-N -1 3 392.304 3.640 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(CCC(C)C)n1 ZINC000744590068 868941492 /nfs/dbraw/zinc/94/14/92/868941492.db2.gz QBLMTPSOAOOIKV-UHFFFAOYSA-N -1 3 387.505 3.997 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(-c2ccccc2F)o1 ZINC000744590338 868941666 /nfs/dbraw/zinc/94/16/66/868941666.db2.gz SPWUSBSTBCSPOX-UHFFFAOYSA-N -1 3 395.390 3.746 20 30 GHEDHM COc1ccc([O-])c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000537639431 882383600 /nfs/dbraw/zinc/38/36/00/882383600.db2.gz KKMBDEACIIPLDK-UHFFFAOYSA-N -1 3 387.395 3.777 20 30 GHEDHM C=CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000617611967 870573384 /nfs/dbraw/zinc/57/33/84/870573384.db2.gz ZKHGWVGSIUGSHG-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(OC3CCC3)c2)c(C)c1[O-] ZINC001193186222 870957675 /nfs/dbraw/zinc/95/76/75/870957675.db2.gz NJPKTVUOJPBSSV-UHFFFAOYSA-N -1 3 394.427 3.933 20 30 GHEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccnc1OCc1ccccc1 ZINC001194601588 871827945 /nfs/dbraw/zinc/82/79/45/871827945.db2.gz HMMWYTBAIOWLKW-UHFFFAOYSA-N -1 3 393.424 3.633 20 30 GHEDHM N#Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)[n-]c3=O)CC2)cc1Cl ZINC001195135173 872192479 /nfs/dbraw/zinc/19/24/79/872192479.db2.gz PYVZNCHLTGDXPV-UHFFFAOYSA-N -1 3 392.242 3.649 20 30 GHEDHM CC(C)COc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1Cl ZINC000182876017 872887528 /nfs/dbraw/zinc/88/75/28/872887528.db2.gz SZCVDHGCETWEHG-AWEZNQCLSA-N -1 3 387.871 3.578 20 30 GHEDHM C#C[C@H](CC)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000768057409 873039032 /nfs/dbraw/zinc/03/90/32/873039032.db2.gz WTKLGGASIWSXLN-CQSZACIVSA-N -1 3 375.421 3.504 20 30 GHEDHM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1cc(C(F)(F)F)ccn1 ZINC000464466427 873906473 /nfs/dbraw/zinc/90/64/73/873906473.db2.gz IIYXAVWNTXCASH-NSHDSACASA-N -1 3 377.347 3.635 20 30 GHEDHM CC(=O)c1ccc(NC(=O)c2cccnc2C(=O)[N-]c2ccsc2C#N)cc1 ZINC001197898241 874096554 /nfs/dbraw/zinc/09/65/54/874096554.db2.gz KHBCDBNVAUQPRO-UHFFFAOYSA-N -1 3 390.424 3.722 20 30 GHEDHM N#Cc1ccsc1N1CC[C@H](OC(=O)c2cc3sccc3c([O-])c2)C1=O ZINC000786139387 876467828 /nfs/dbraw/zinc/46/78/28/876467828.db2.gz GADNJCWJIAVXHD-AWEZNQCLSA-N -1 3 384.438 3.502 20 30 GHEDHM COc1cc(Br)ccc1[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000787142914 877192040 /nfs/dbraw/zinc/19/20/40/877192040.db2.gz YHCCSVQNIRUXMG-AUXCUJNGSA-N -1 3 379.254 3.539 20 30 GHEDHM Cc1nn(-c2ccccc2)c(COC(=O)CCCc2ccc([O-])c(F)c2)c1C#N ZINC000787851277 877671539 /nfs/dbraw/zinc/67/15/39/877671539.db2.gz WATFISFNCWOPJW-UHFFFAOYSA-N -1 3 393.418 3.963 20 30 GHEDHM N#Cc1c(F)cccc1N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788279572 877990980 /nfs/dbraw/zinc/99/09/80/877990980.db2.gz HCGNQAAMYXJQLF-UHFFFAOYSA-N -1 3 381.432 3.580 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cnc1Br ZINC000788347891 878009698 /nfs/dbraw/zinc/00/96/98/878009698.db2.gz HUMBJRQEGCWKLF-ZDUSSCGKSA-N -1 3 382.217 3.891 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccccc1N1CCCCC1 ZINC000127969987 878104876 /nfs/dbraw/zinc/10/48/76/878104876.db2.gz DKSLAFLIZBPQGY-UHFFFAOYSA-N -1 3 393.487 3.530 20 30 GHEDHM Cn1ncc2c1nc(N=NCc1ccc(-c3ccc(Cl)cc3)cc1)[n-]c2=O ZINC000789018098 878541898 /nfs/dbraw/zinc/54/18/98/878541898.db2.gz OHOBLHDMTWISHM-UHFFFAOYSA-N -1 3 378.823 3.835 20 30 GHEDHM COc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1OCCCC#N ZINC000551055187 883193633 /nfs/dbraw/zinc/19/36/33/883193633.db2.gz ISNQCFCEUJYOBQ-QFIPXVFZSA-N -1 3 398.434 3.533 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc2oc(=O)[nH]c2c1 ZINC000805855435 884149504 /nfs/dbraw/zinc/14/95/04/884149504.db2.gz IYWCKKXLTLXIKX-JTQLQIEISA-N -1 3 390.182 3.801 20 30 GHEDHM CCOc1cc(CN2CCN(c3ccc(C#N)cc3F)CC2)cc(Cl)c1[O-] ZINC000556271548 884303969 /nfs/dbraw/zinc/30/39/69/884303969.db2.gz YTHRQHSXLICJTB-UHFFFAOYSA-N -1 3 389.858 3.777 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)CCCCC1 ZINC000476330450 884403217 /nfs/dbraw/zinc/40/32/17/884403217.db2.gz KWBGOANXBXOULY-ZDUSSCGKSA-N -1 3 389.304 3.820 20 30 GHEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)o1 ZINC000051266567 884696978 /nfs/dbraw/zinc/69/69/78/884696978.db2.gz SJMGNVCSVXIXRA-UHFFFAOYSA-N -1 3 377.282 3.503 20 30 GHEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)o1 ZINC000051266567 884696983 /nfs/dbraw/zinc/69/69/83/884696983.db2.gz SJMGNVCSVXIXRA-UHFFFAOYSA-N -1 3 377.282 3.503 20 30 GHEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)o1 ZINC000051266567 884696989 /nfs/dbraw/zinc/69/69/89/884696989.db2.gz SJMGNVCSVXIXRA-UHFFFAOYSA-N -1 3 377.282 3.503 20 30 GHEDHM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1nc3ccccc3n1C(F)F)OC2=O ZINC000860478302 884720563 /nfs/dbraw/zinc/72/05/63/884720563.db2.gz VBJNXTRFKCTREP-WWGWPZPMSA-N -1 3 387.386 3.730 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C(=O)c1ccccc1)C(C)C ZINC000919010108 884750564 /nfs/dbraw/zinc/75/05/64/884750564.db2.gz QQZMEPADGKTLQO-NRFANRHFSA-N -1 3 380.444 3.659 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000119568786 886757975 /nfs/dbraw/zinc/75/79/75/886757975.db2.gz ULPBGKDJXBJILU-UHFFFAOYSA-N -1 3 380.248 3.659 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000119568786 886757984 /nfs/dbraw/zinc/75/79/84/886757984.db2.gz ULPBGKDJXBJILU-UHFFFAOYSA-N -1 3 380.248 3.659 20 30 GHEDHM COCC[C@H](CN=Nc1nc2ccccc2[n-]c1=S)NC(=O)OC(C)(C)C ZINC000863125371 886882864 /nfs/dbraw/zinc/88/28/64/886882864.db2.gz USNDIKBMRATHMC-GFCCVEGCSA-N -1 3 391.497 3.620 20 30 GHEDHM O=C(c1cc(=O)[nH]cc1Br)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184246824 913098332 /nfs/dbraw/zinc/09/83/32/913098332.db2.gz PEUKTOMAKFTJIE-UHFFFAOYSA-N -1 3 392.036 3.888 20 30 GHEDHM O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001184293583 913143329 /nfs/dbraw/zinc/14/33/29/913143329.db2.gz ZLIVOBONFVIQQR-OAQYLSRUSA-N -1 3 396.487 3.886 20 30 GHEDHM O=C(OCc1ccccc1)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC001184347769 913160579 /nfs/dbraw/zinc/16/05/79/913160579.db2.gz CUWKQPIBTXTEMA-UHFFFAOYSA-N -1 3 386.423 3.592 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccc(Br)s3)CCC2)c1[O-] ZINC000794678961 887751576 /nfs/dbraw/zinc/75/15/76/887751576.db2.gz CURVOSQKMXOGMR-UFWORHAWSA-N -1 3 395.322 3.953 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000796087381 913257231 /nfs/dbraw/zinc/25/72/31/913257231.db2.gz OWIUFLZACXECNT-ZDUSSCGKSA-N -1 3 392.761 3.546 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(COCC(F)(F)C(F)F)c2)c1[O-] ZINC000915981882 888597809 /nfs/dbraw/zinc/59/78/09/888597809.db2.gz YPVPHDPSBJGCBT-UHFFFAOYSA-N -1 3 386.345 3.756 20 30 GHEDHM CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794934567 888950664 /nfs/dbraw/zinc/95/06/64/888950664.db2.gz UJMFNUMRSCGOQA-LUAWRHEFSA-N -1 3 389.398 3.814 20 30 GHEDHM O=C1/C(=C/c2c(F)ccc([O-])c2F)COC/C1=C\c1c(F)ccc(O)c1F ZINC000794942873 888992631 /nfs/dbraw/zinc/99/26/31/888992631.db2.gz RKXZNCXMIYRPEF-NXZHAISVSA-N -1 3 380.293 3.721 20 30 GHEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cccc2ncccc21 ZINC000811183997 889270491 /nfs/dbraw/zinc/27/04/91/889270491.db2.gz DWYAYMBSMCITRI-FQEVSTJZSA-N -1 3 389.411 3.632 20 30 GHEDHM C#CCN1CC[C@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)CC2)C1=O ZINC001275321655 913336297 /nfs/dbraw/zinc/33/62/97/913336297.db2.gz FWQOTWNHAPJIBE-LJQANCHMSA-N -1 3 381.303 3.537 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cnn(CC2CC2)c1 ZINC000870135554 890226190 /nfs/dbraw/zinc/22/61/90/890226190.db2.gz AHFQTIVIYNFRPI-HNNXBMFYSA-N -1 3 390.415 3.569 20 30 GHEDHM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000916907732 890404105 /nfs/dbraw/zinc/40/41/05/890404105.db2.gz WXDSXLJWTADECS-LLVKDONJSA-N -1 3 389.820 3.931 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000916912270 890413090 /nfs/dbraw/zinc/41/30/90/890413090.db2.gz ZTHNXLKIMAIFFJ-LLVKDONJSA-N -1 3 397.740 3.637 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000916912279 890414350 /nfs/dbraw/zinc/41/43/50/890414350.db2.gz ZTHNXLKIMAIFFJ-NSHDSACASA-N -1 3 397.740 3.637 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc3ccccc3o2)cc1 ZINC000916940029 890531271 /nfs/dbraw/zinc/53/12/71/890531271.db2.gz QSAJUDYGCHZFTE-MRXNPFEDSA-N -1 3 376.368 3.571 20 30 GHEDHM C=C(Cl)C[C@@H](N)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000871781242 891008976 /nfs/dbraw/zinc/00/89/76/891008976.db2.gz OBXGWYZQAGGGAB-SNVBAGLBSA-N -1 3 388.649 3.746 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC001184925995 913539748 /nfs/dbraw/zinc/53/97/48/913539748.db2.gz VDCSGLFQKBPPBF-UHFFFAOYSA-N -1 3 397.438 3.978 20 30 GHEDHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000288203432 913690675 /nfs/dbraw/zinc/69/06/75/913690675.db2.gz CQWVTKRNGQOMAB-FQEVSTJZSA-N -1 3 381.476 3.827 20 30 GHEDHM [O-]c1c(O)cc(CN=Nc2nnc(-c3ccccc3)s2)cc1Br ZINC000814947551 893296173 /nfs/dbraw/zinc/29/61/73/893296173.db2.gz XVIUXWRKSBTNQU-UHFFFAOYSA-N -1 3 391.250 3.825 20 30 GHEDHM N#CC(=C([O-])c1ccc(Cn2cncn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000041522670 896367647 /nfs/dbraw/zinc/36/76/47/896367647.db2.gz QBOUBWWZRNZTNI-GOSISDBHSA-N -1 3 385.452 3.940 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cl)ccc1Sc1ccccc1 ZINC000820482136 897351793 /nfs/dbraw/zinc/35/17/93/897351793.db2.gz DSCICIGSKFBNSS-HNNXBMFYSA-N -1 3 376.865 3.601 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000102739137 898028064 /nfs/dbraw/zinc/02/80/64/898028064.db2.gz JXYXCBDUECQHPM-UHFFFAOYSA-N -1 3 381.329 3.593 20 30 GHEDHM CCN(CC)S(=O)(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000005402513 898421353 /nfs/dbraw/zinc/42/13/53/898421353.db2.gz FQAAQVPJZANQAO-DEDYPNTBSA-N -1 3 380.897 3.695 20 30 GHEDHM C=CCCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000800153440 898673729 /nfs/dbraw/zinc/67/37/29/898673729.db2.gz KJEIDKFNKCZTKS-UHFFFAOYSA-N -1 3 390.480 3.883 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2cc(F)ccc2F)c(C)c1[O-] ZINC001202659906 898917739 /nfs/dbraw/zinc/91/77/39/898917739.db2.gz YTXXQWCKHFHXPT-UHFFFAOYSA-N -1 3 375.331 3.671 20 30 GHEDHM C=CCCOCCCCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823899625 899290150 /nfs/dbraw/zinc/29/01/50/899290150.db2.gz ZRRYBUKHPJUGPU-UHFFFAOYSA-N -1 3 377.876 3.636 20 30 GHEDHM C=CCCOCCCCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823899625 899290166 /nfs/dbraw/zinc/29/01/66/899290166.db2.gz ZRRYBUKHPJUGPU-UHFFFAOYSA-N -1 3 377.876 3.636 20 30 GHEDHM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823903545 899293247 /nfs/dbraw/zinc/29/32/47/899293247.db2.gz CPPBBBWYDNYYFA-UHFFFAOYSA-N -1 3 396.451 3.510 20 30 GHEDHM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823903545 899293262 /nfs/dbraw/zinc/29/32/62/899293262.db2.gz CPPBBBWYDNYYFA-UHFFFAOYSA-N -1 3 396.451 3.510 20 30 GHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000120881854 899902788 /nfs/dbraw/zinc/90/27/88/899902788.db2.gz GVIZDGDSGAPSFY-UHFFFAOYSA-N -1 3 389.880 3.578 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@@H](C#N)c2ccccc2)CC1 ZINC001186417529 914542339 /nfs/dbraw/zinc/54/23/39/914542339.db2.gz VOIQKVXFSMRONS-INIZCTEOSA-N -1 3 393.434 3.650 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCCOc1ccc2c(c1)OCO2 ZINC000845840534 902456357 /nfs/dbraw/zinc/45/63/57/902456357.db2.gz DKFDNBHIQSXNNH-SFHVURJKSA-N -1 3 391.423 3.584 20 30 GHEDHM COc1ccc(C(=O)CCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1F ZINC000845841830 902460970 /nfs/dbraw/zinc/46/09/70/902460970.db2.gz QRFVHDJYHNUFOO-QGZVFWFLSA-N -1 3 393.414 3.807 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nc(-c2cccs2)no1 ZINC000845843477 902461170 /nfs/dbraw/zinc/46/11/70/902461170.db2.gz XXWYYBOWDGOQIA-HNNXBMFYSA-N -1 3 391.452 3.740 20 30 GHEDHM N#Cc1cc(NC(=O)CC[C@](F)(Cl)C(F)(F)Br)ccc1[O-] ZINC001146413167 903531420 /nfs/dbraw/zinc/53/14/20/903531420.db2.gz JLPAFAYMVIIBSW-LLVKDONJSA-N -1 3 385.567 3.875 20 30 GHEDHM CN(C(=O)C1CC1)c1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000048829345 904200295 /nfs/dbraw/zinc/20/02/95/904200295.db2.gz SSIASHHYQODYLH-OAHLLOKOSA-N -1 3 387.361 3.963 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000174694889 905325035 /nfs/dbraw/zinc/32/50/35/905325035.db2.gz KXTMZYVGSSCXRW-ZUOKHONESA-N -1 3 381.451 3.545 20 30 GHEDHM N#CC(=C([O-])c1cccc(NC(=O)c2cccnc2)c1)c1cnc2ccccc2n1 ZINC000190901941 906405318 /nfs/dbraw/zinc/40/53/18/906405318.db2.gz NYUPSXXHXPYRPM-SFHVURJKSA-N -1 3 393.406 3.767 20 30 GHEDHM N#CC(=C([O-])c1ccccc1COC1CCOCC1)c1cnc2ccccc2n1 ZINC000190946510 906467917 /nfs/dbraw/zinc/46/79/17/906467917.db2.gz OUZJGHXJILQEDP-LJQANCHMSA-N -1 3 387.439 3.815 20 30 GHEDHM C=CCOc1c(Cl)cc(CNCc2ccccc2CC(=O)[O-])cc1OC ZINC000630450965 907286247 /nfs/dbraw/zinc/28/62/47/907286247.db2.gz MBLNNDGKJHKBID-UHFFFAOYSA-N -1 3 375.852 3.830 20 30 GHEDHM Cn1cc([C@H]([N-]C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)C(F)(F)F)cn1 ZINC000801699425 921397966 /nfs/dbraw/zinc/39/79/66/921397966.db2.gz ALCJDGWSRSZLPZ-NEPJUHHUSA-N -1 3 383.267 3.869 20 30 GHEDHM C[C@@]1(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)Cc2ccccc2C(=O)O1 ZINC000193769749 908695385 /nfs/dbraw/zinc/69/53/85/908695385.db2.gz AMJMYICBCZLTSU-SZNDQCEHSA-N -1 3 395.365 3.779 20 30 GHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nc1 ZINC000774050330 911285182 /nfs/dbraw/zinc/28/51/82/911285182.db2.gz FQVHUVFKFLJRBK-ZDUSSCGKSA-N -1 3 375.787 3.622 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2c[nH]c3cccc(C#N)c23)c([O-])c1 ZINC001182583465 911887473 /nfs/dbraw/zinc/88/74/73/911887473.db2.gz ZKZHSDWIURPFPQ-UHFFFAOYSA-N -1 3 391.427 3.882 20 30 GHEDHM N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001186990495 914960848 /nfs/dbraw/zinc/96/08/48/914960848.db2.gz ALQXYDYSNWPZEH-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001186990495 914960855 /nfs/dbraw/zinc/96/08/55/914960855.db2.gz ALQXYDYSNWPZEH-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2SC[C@@H](O)C(F)(F)F)ccc1[O-] ZINC001187803058 915523456 /nfs/dbraw/zinc/52/34/56/915523456.db2.gz LRIMNJJQXWSRFI-OAHLLOKOSA-N -1 3 382.363 3.531 20 30 GHEDHM CCS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c(Cl)c1Cl ZINC001187886170 915606542 /nfs/dbraw/zinc/60/65/42/915606542.db2.gz XIZYFZWFPMUQMQ-UHFFFAOYSA-N -1 3 399.255 3.617 20 30 GHEDHM Cc1cccc(C#N)c1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC001188657329 916082569 /nfs/dbraw/zinc/08/25/69/916082569.db2.gz XVUDLGSWJJZMPZ-INIZCTEOSA-N -1 3 382.407 3.709 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000294078066 916570766 /nfs/dbraw/zinc/57/07/66/916570766.db2.gz NDVSRSZPVBHSOG-QGZVFWFLSA-N -1 3 399.878 3.542 20 30 GHEDHM N#Cc1cc(Br)cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189688336 916808294 /nfs/dbraw/zinc/80/82/94/916808294.db2.gz DOLGMNMIHZLAOY-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cc1F ZINC001189982058 917041471 /nfs/dbraw/zinc/04/14/71/917041471.db2.gz GJPMPDUHXJNZAG-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000295502291 917330367 /nfs/dbraw/zinc/33/03/67/917330367.db2.gz TXSCUVLRSHMYHJ-UHFFFAOYSA-N -1 3 387.842 3.586 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC001190611116 917447934 /nfs/dbraw/zinc/44/79/34/917447934.db2.gz JZUGREGHGUUUII-HXUWFJFHSA-N -1 3 380.444 3.960 20 30 GHEDHM O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N([O-])Cc1cccc2ccccc21 ZINC000901370599 921046455 /nfs/dbraw/zinc/04/64/55/921046455.db2.gz BCHKEGRAAJWXDC-UHFFFAOYSA-N -1 3 394.383 3.941 20 30 GHEDHM O=C(COCCc1ccc(Br)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901372497 921047954 /nfs/dbraw/zinc/04/79/54/921047954.db2.gz FGKQXFLIVSOYRV-UHFFFAOYSA-N -1 3 382.229 3.565 20 30 GHEDHM O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N([O-])Cc1ccc(F)cc1 ZINC000901373162 921049181 /nfs/dbraw/zinc/04/91/81/921049181.db2.gz TVCQATFVRNLHAK-IXDOHACOSA-N -1 3 376.225 3.892 20 30 GHEDHM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1nc2ccccc2n1C(F)F ZINC000682498729 926139906 /nfs/dbraw/zinc/13/99/06/926139906.db2.gz RCMFTNKHNMMVJS-SNVBAGLBSA-N -1 3 383.280 3.680 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nccn12 ZINC000780309672 927865787 /nfs/dbraw/zinc/86/57/87/927865787.db2.gz ODPMISJMVAWKER-LBPRGKRZSA-N -1 3 393.255 3.972 20 30 GHEDHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3cccc(F)c3C#N)oc21 ZINC000750980951 927965099 /nfs/dbraw/zinc/96/50/99/927965099.db2.gz XPMCJDBMQFSHCV-GFCCVEGCSA-N -1 3 388.420 3.882 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CCCCC2)c1C ZINC000781447206 930850036 /nfs/dbraw/zinc/85/00/36/930850036.db2.gz DXIQHJULYHBNPT-MRXNPFEDSA-N -1 3 380.448 3.667 20 30 GHEDHM C=CCc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc(OC)c1OC ZINC000782215983 931124299 /nfs/dbraw/zinc/12/42/99/931124299.db2.gz YJUSZCABQJFAGQ-UHFFFAOYSA-N -1 3 396.399 3.545 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000797571510 932331533 /nfs/dbraw/zinc/33/15/33/932331533.db2.gz SJEUJSHCJNKUOO-AWEZNQCLSA-N -1 3 387.480 3.906 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSc1cc(F)ccc1F ZINC000797942570 932465677 /nfs/dbraw/zinc/46/56/77/932465677.db2.gz GDTDJUCPWZSKNN-YXVBKTCISA-N -1 3 388.395 3.927 20 30 GHEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cc(F)ccc1OC ZINC000928785436 933104222 /nfs/dbraw/zinc/10/42/22/933104222.db2.gz XZVQDFJDSWFPKI-GOSISDBHSA-N -1 3 385.439 3.624 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1OCC(F)(F)F ZINC001116189438 933395043 /nfs/dbraw/zinc/39/50/43/933395043.db2.gz ONMOQBSIQLZPEC-UHFFFAOYSA-N -1 3 384.379 3.803 20 30 GHEDHM C#CCCCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC001573282935 946702112 /nfs/dbraw/zinc/70/21/12/946702112.db2.gz OTNJOWGNBLXGEP-UHFFFAOYSA-N -1 3 376.464 3.796 20 30 GHEDHM C#CCCCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC001573282935 946702118 /nfs/dbraw/zinc/70/21/18/946702118.db2.gz OTNJOWGNBLXGEP-UHFFFAOYSA-N -1 3 376.464 3.796 20 30 GHEDHM C=C(C)COc1cc(CNc2cc(-c3nnn[n-]3)ccc2OCC)ccc1OC ZINC001573294185 946980825 /nfs/dbraw/zinc/98/08/25/946980825.db2.gz XPVPIEKHYFFYDF-UHFFFAOYSA-N -1 3 395.463 3.841 20 30 GHEDHM C=C(C)COc1cc(CNc2cc(-c3nn[n-]n3)ccc2OCC)ccc1OC ZINC001573294185 946980830 /nfs/dbraw/zinc/98/08/30/946980830.db2.gz XPVPIEKHYFFYDF-UHFFFAOYSA-N -1 3 395.463 3.841 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2ccccc2cc1F ZINC001573342138 947538336 /nfs/dbraw/zinc/53/83/36/947538336.db2.gz UJWNVJQKKOXBFS-UHFFFAOYSA-N -1 3 387.418 3.987 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2ccccc2cc1F ZINC001573342138 947538343 /nfs/dbraw/zinc/53/83/43/947538343.db2.gz UJWNVJQKKOXBFS-UHFFFAOYSA-N -1 3 387.418 3.987 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001595009125 982932666 /nfs/dbraw/zinc/93/26/66/982932666.db2.gz FKRQCSSGESCBSI-PXAZEXFGSA-N -1 3 382.391 3.999 20 30 GHEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000468000758 1015124421 /nfs/dbraw/zinc/12/44/21/1015124421.db2.gz SLTKWSHODPZQDY-UHFFFAOYSA-N -1 3 378.222 3.980 20 30 GHEDHM Cc1ccc2nc(COc3cccc(C([O-])=C(C#N)c4ccncn4)c3)cn2c1 ZINC000545446155 1015877892 /nfs/dbraw/zinc/87/78/92/1015877892.db2.gz XUPOQDGYEJOBRW-IBGZPJMESA-N -1 3 383.411 3.502 20 30 GHEDHM C=CCc1c([O-])ccc(C(C)=O)c1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001227120098 1032277871 /nfs/dbraw/zinc/27/78/71/1032277871.db2.gz DJTZYVGFKBWIKO-FQEVSTJZSA-N -1 3 395.499 3.993 20 30 GHEDHM [O-]N=C(N[C@@H](F)Oc1cccc(Cl)n1)c1ccc(OC(F)(F)F)cc1 ZINC001155909351 1032784211 /nfs/dbraw/zinc/78/42/11/1032784211.db2.gz NGEXUARKHMFROV-CYBMUJFWSA-N -1 3 379.697 3.691 20 30 GHEDHM C=CCOCc1nn(CC2CC2)c2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140338456 1021445373 /nfs/dbraw/zinc/44/53/73/1021445373.db2.gz JMXFETRWUQFYSE-UHFFFAOYSA-N -1 3 387.911 3.913 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC(F)F)c2)cc1 ZINC000835060396 1021833093 /nfs/dbraw/zinc/83/30/93/1021833093.db2.gz AAKAXYSETLHIBT-MRXNPFEDSA-N -1 3 387.386 3.987 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228626531 1033016971 /nfs/dbraw/zinc/01/69/71/1033016971.db2.gz AQGJPUJDCFEUEZ-MRXNPFEDSA-N -1 3 387.432 3.751 20 30 GHEDHM C=C(C)CN1CC2(CCC1=O)CCN(Cc1cc(Cl)nc(Cl)c1[O-])CC2 ZINC001277333734 1033126292 /nfs/dbraw/zinc/12/62/92/1033126292.db2.gz SRFCTWMVRHQDSJ-UHFFFAOYSA-N -1 3 398.334 3.875 20 30 GHEDHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001141435282 1025045707 /nfs/dbraw/zinc/04/57/07/1025045707.db2.gz IMEHPTNIEZUJQD-NSHDSACASA-N -1 3 375.222 3.741 20 30 GHEDHM O=S(=O)(c1ccccc1C/N=C\c1cc(Cl)ccc1[O-])N1CCCCC1 ZINC000839388359 1025868628 /nfs/dbraw/zinc/86/86/28/1025868628.db2.gz ZGSICPZWUYZGOJ-STZFKDTASA-N -1 3 392.908 3.839 20 30 GHEDHM CCOc1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc(SC)n1 ZINC001163765350 1026308512 /nfs/dbraw/zinc/30/85/12/1026308512.db2.gz QNCDBHIHMDRCFX-UHFFFAOYSA-N -1 3 388.371 3.744 20 30 GHEDHM Cc1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc(-c2cccnc2)n1 ZINC001163765844 1026309142 /nfs/dbraw/zinc/30/91/42/1026309142.db2.gz LITIWGUKGSGEEY-UHFFFAOYSA-N -1 3 389.337 3.994 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(Sc3ccncc3)CC2)n1 ZINC001166987446 1027177044 /nfs/dbraw/zinc/17/70/44/1027177044.db2.gz LBRDZTJZYRESDL-VXLYETTFSA-N -1 3 395.941 3.816 20 30 GHEDHM Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N(O)c1cccc(Cl)c1[O-] ZINC001210220543 1027389762 /nfs/dbraw/zinc/38/97/62/1027389762.db2.gz ZIAPOVUFVFIXOE-UHFFFAOYSA-N -1 3 398.181 3.777 20 30 GHEDHM N#Cc1ccc(NC(=O)c2nc3cc(Br)ccc3[n-]2)c2cccnc12 ZINC001151826317 1031020976 /nfs/dbraw/zinc/02/09/76/1031020976.db2.gz DPHVUGBRXHNUAM-UHFFFAOYSA-N -1 3 392.216 3.998 20 30 GHEDHM N#Cc1ccc(NC(=O)c2nc3ccc(Br)cc3[n-]2)c2cccnc12 ZINC001151826317 1031020989 /nfs/dbraw/zinc/02/09/89/1031020989.db2.gz DPHVUGBRXHNUAM-UHFFFAOYSA-N -1 3 392.216 3.998 20 30 GHEDHM Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC001207755650 1034559347 /nfs/dbraw/zinc/55/93/47/1034559347.db2.gz ATUDJKLRFQXFEH-AWEZNQCLSA-N -1 3 391.374 3.567 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(-c2ccccc2)c(-c2ccccc2)cc1C#N ZINC001160179100 1034891227 /nfs/dbraw/zinc/89/12/27/1034891227.db2.gz VOKSINAPIXIDIW-YWZLYKJASA-N -1 3 384.439 3.935 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](c2ccccc2)C2(O)CCC2)n1 ZINC001160536340 1034997703 /nfs/dbraw/zinc/99/77/03/1034997703.db2.gz NYZNNLCMOVTVGL-UZPSYVQNSA-N -1 3 378.885 3.728 20 30 GHEDHM CCCCN([O-])C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001161831517 1035311389 /nfs/dbraw/zinc/31/13/89/1035311389.db2.gz CEFXCROOPGVPQH-KRWDZBQOSA-N -1 3 375.469 3.622 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(-c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC001242770546 1035956080 /nfs/dbraw/zinc/95/60/80/1035956080.db2.gz AILSESGIXPUYTP-UHFFFAOYSA-N -1 3 383.411 3.993 20 30 GHEDHM COc1ccc(COc2cc(C#N)cc(-c3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC001242770546 1035956084 /nfs/dbraw/zinc/95/60/84/1035956084.db2.gz AILSESGIXPUYTP-UHFFFAOYSA-N -1 3 383.411 3.993 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3cc([O-])c(F)c(F)c3)C2)CC1 ZINC001232969296 1038742654 /nfs/dbraw/zinc/74/26/54/1038742654.db2.gz NZZNEVWDSWSEQP-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM CCOC[C@@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001233384874 1039212093 /nfs/dbraw/zinc/21/20/93/1039212093.db2.gz LUKCECUEXBOBLF-NRFANRHFSA-N -1 3 394.519 3.786 20 30 GHEDHM CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1[O-] ZINC001233388224 1039212253 /nfs/dbraw/zinc/21/22/53/1039212253.db2.gz QRYLETRBDRAENT-FQEVSTJZSA-N -1 3 393.487 3.715 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001233804476 1039629105 /nfs/dbraw/zinc/62/91/05/1039629105.db2.gz ZVXVVFJCSJIXLB-XDOHQWGYSA-N -1 3 376.453 3.670 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001233803277 1039629216 /nfs/dbraw/zinc/62/92/16/1039629216.db2.gz MQVXGZVBTCTAHU-DOUQRPAJSA-N -1 3 395.411 3.771 20 30 GHEDHM N#Cc1ccc2nc(=O)[n-]c(O[C@H]3CCN(Cc4ccc(Cl)cc4)C3)c2c1 ZINC001234530617 1040103764 /nfs/dbraw/zinc/10/37/64/1040103764.db2.gz KASSPKPWCJGAJL-INIZCTEOSA-N -1 3 380.835 3.514 20 30 GHEDHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H](C)C#C[Si](C)(C)C ZINC001234609739 1040166896 /nfs/dbraw/zinc/16/68/96/1040166896.db2.gz SBQMKTDBKSUNCK-NSHDSACASA-N -1 3 385.330 3.980 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234687771 1040218811 /nfs/dbraw/zinc/21/88/11/1040218811.db2.gz BCGQDSSVEICHQG-INIZCTEOSA-N -1 3 383.448 3.794 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792267 1040322792 /nfs/dbraw/zinc/32/27/92/1040322792.db2.gz XXZNKEUEYZWDCQ-QGZVFWFLSA-N -1 3 391.464 3.856 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2Br)c(Cl)c1 ZINC001259108244 1044965498 /nfs/dbraw/zinc/96/54/98/1044965498.db2.gz PKBIYVBUBBZIKQ-UHFFFAOYSA-N -1 3 377.672 3.836 20 30 GHEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCC(C)CC3)cc2)cc1 ZINC001259712723 1045272623 /nfs/dbraw/zinc/27/26/23/1045272623.db2.gz PNHYYRVVXRCIFY-UHFFFAOYSA-N -1 3 397.500 3.733 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001263293002 1046689361 /nfs/dbraw/zinc/68/93/61/1046689361.db2.gz ZJBZOXGZXZWGSN-AWEZNQCLSA-N -1 3 398.344 3.852 20 30 GHEDHM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)OCC ZINC001288355142 1049059226 /nfs/dbraw/zinc/05/92/26/1049059226.db2.gz XPCDWYCJMVZDQV-CYBMUJFWSA-N -1 3 390.224 3.555 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H](COCC)C1 ZINC001342280126 1053069746 /nfs/dbraw/zinc/06/97/46/1053069746.db2.gz ITAUUEDENKOOMQ-AWEZNQCLSA-N -1 3 399.520 3.699 20 30 GHEDHM CC(C)CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccn1 ZINC001317771719 1054253014 /nfs/dbraw/zinc/25/30/14/1054253014.db2.gz VFSCAPUHIAYCTM-UHFFFAOYSA-N -1 3 382.489 3.852 20 30 GHEDHM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001321162725 1056128777 /nfs/dbraw/zinc/12/87/77/1056128777.db2.gz LWVPAFOAVMQZEA-MRXNPFEDSA-N -1 3 383.517 3.914 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2cc(F)cc(F)c2)c(C)c1[O-] ZINC001200669188 1056668713 /nfs/dbraw/zinc/66/87/13/1056668713.db2.gz IJKDEHYBIHGGOC-UHFFFAOYSA-N -1 3 391.399 3.836 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001458010740 1063506137 /nfs/dbraw/zinc/50/61/37/1063506137.db2.gz KRQQBTKCQVTDHH-FGTMMUONSA-N -1 3 398.544 3.979 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)ccc1F ZINC001353260700 1065813563 /nfs/dbraw/zinc/81/35/63/1065813563.db2.gz FPZKHWOHAXHASH-RDJZCZTQSA-N -1 3 396.528 3.625 20 30 GHEDHM CCCCCCCCCNC(=S)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001200375918 1066021787 /nfs/dbraw/zinc/02/17/87/1066021787.db2.gz MGKSVJVMMWBWGP-UHFFFAOYSA-N -1 3 381.508 3.754 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)ccc1F ZINC001353589938 1066066359 /nfs/dbraw/zinc/06/63/59/1066066359.db2.gz PSAPNBTXVITIDW-SFHVURJKSA-N -1 3 398.544 3.871 20 30 GHEDHM C=CCOc1ccc(Br)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001468867500 1067912824 /nfs/dbraw/zinc/91/28/24/1067912824.db2.gz NJZJZYCWMZOAPB-UHFFFAOYSA-N -1 3 392.205 3.701 20 30 GHEDHM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N([O-])Cc1ccccc1Cl ZINC001472619818 1073580053 /nfs/dbraw/zinc/58/00/53/1073580053.db2.gz GTGSEUMGRVWHFB-SQWLQELKSA-N -1 3 380.872 3.561 20 30 GHEDHM CS(=O)(=O)CC[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)c1ccccc1 ZINC001472622396 1073582032 /nfs/dbraw/zinc/58/20/32/1073582032.db2.gz KBVWZPQLIUVQIY-OAQYLSRUSA-N -1 3 397.496 3.776 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001475366185 1074850940 /nfs/dbraw/zinc/85/09/40/1074850940.db2.gz SOAQBNFCDSTCSH-OAHLLOKOSA-N -1 3 378.837 3.518 20 30 GHEDHM O=C(Nc1cccc(CSC2CCCCC2)c1)N[C@@H]1CCCN([O-])C1=O ZINC001476162674 1075098101 /nfs/dbraw/zinc/09/81/01/1075098101.db2.gz UQXCGQUMSATHSD-QGZVFWFLSA-N -1 3 377.510 3.754 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000735419037 598830322 /nfs/dbraw/zinc/83/03/22/598830322.db2.gz PDZUXTIRAWNFEM-NRFANRHFSA-N -1 3 389.503 3.896 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000735419037 598830324 /nfs/dbraw/zinc/83/03/24/598830324.db2.gz PDZUXTIRAWNFEM-NRFANRHFSA-N -1 3 389.503 3.896 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccc1-c1nnn[n-]1 ZINC000737709764 598920117 /nfs/dbraw/zinc/92/01/17/598920117.db2.gz QHFTUSHBKGCUID-UHFFFAOYSA-N -1 3 380.411 3.587 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccc1-c1nn[n-]n1 ZINC000737709764 598920121 /nfs/dbraw/zinc/92/01/21/598920121.db2.gz QHFTUSHBKGCUID-UHFFFAOYSA-N -1 3 380.411 3.587 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1OCCS[C@@H](C)c1ccc(C#N)cc1 ZINC000737031596 599009993 /nfs/dbraw/zinc/00/99/93/599009993.db2.gz ASXGOURRFVLODK-ZDUSSCGKSA-N -1 3 381.461 3.620 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1OCCS[C@@H](C)c1ccc(C#N)cc1 ZINC000737031596 599009995 /nfs/dbraw/zinc/00/99/95/599009995.db2.gz ASXGOURRFVLODK-ZDUSSCGKSA-N -1 3 381.461 3.620 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(F)c(Br)c1 ZINC000823504538 599115357 /nfs/dbraw/zinc/11/53/57/599115357.db2.gz RBSQJFOSARQBMB-KPKJPENVSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(F)c(Br)c1 ZINC000823504538 599115359 /nfs/dbraw/zinc/11/53/59/599115359.db2.gz RBSQJFOSARQBMB-KPKJPENVSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(OCC(F)F)cc1 ZINC000823504947 599117051 /nfs/dbraw/zinc/11/70/51/599117051.db2.gz VXHWCBUEFMNNRA-ZROIWOOFSA-N -1 3 382.370 3.723 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(OCC(F)F)cc1 ZINC000823504947 599117053 /nfs/dbraw/zinc/11/70/53/599117053.db2.gz VXHWCBUEFMNNRA-ZROIWOOFSA-N -1 3 382.370 3.723 20 30 GHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2cc(C)ccc2C)c1C ZINC000735450871 599125559 /nfs/dbraw/zinc/12/55/59/599125559.db2.gz HNJTYSYAHFTBEP-UHFFFAOYSA-N -1 3 386.463 3.814 20 30 GHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2cc(C)ccc2C)c1C ZINC000735450871 599125562 /nfs/dbraw/zinc/12/55/62/599125562.db2.gz HNJTYSYAHFTBEP-UHFFFAOYSA-N -1 3 386.463 3.814 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2cc(C)ccc2C)c1C ZINC000735451072 599127635 /nfs/dbraw/zinc/12/76/35/599127635.db2.gz OAFNUXQQHWNRBK-UHFFFAOYSA-N -1 3 386.463 3.814 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(OC3CCCCC3)cc2)ccc1-c1nnn[n-]1 ZINC000737709297 599196234 /nfs/dbraw/zinc/19/62/34/599196234.db2.gz MOSAWTUVJZFMRY-UHFFFAOYSA-N -1 3 388.431 3.702 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(OC3CCCCC3)cc2)ccc1-c1nn[n-]n1 ZINC000737709297 599196236 /nfs/dbraw/zinc/19/62/36/599196236.db2.gz MOSAWTUVJZFMRY-UHFFFAOYSA-N -1 3 388.431 3.702 20 30 GHEDHM CCOc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736654981 598314068 /nfs/dbraw/zinc/31/40/68/598314068.db2.gz ZMBOXRZLNWPLAE-UHFFFAOYSA-N -1 3 376.342 3.730 20 30 GHEDHM CCOc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736654981 598314069 /nfs/dbraw/zinc/31/40/69/598314069.db2.gz ZMBOXRZLNWPLAE-UHFFFAOYSA-N -1 3 376.342 3.730 20 30 GHEDHM Clc1cc(Br)ccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000822568412 599338320 /nfs/dbraw/zinc/33/83/20/599338320.db2.gz PVAMUCWLVIIXBH-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)cc1Cl ZINC000737809373 599461921 /nfs/dbraw/zinc/46/19/21/599461921.db2.gz VNCLZOFSJLLXTB-HWKANZROSA-N -1 3 385.214 3.717 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)cc1Cl ZINC000737809373 599461924 /nfs/dbraw/zinc/46/19/24/599461924.db2.gz VNCLZOFSJLLXTB-HWKANZROSA-N -1 3 385.214 3.717 20 30 GHEDHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820396550 599531709 /nfs/dbraw/zinc/53/17/09/599531709.db2.gz GIQPXVZXONPWKI-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820396550 599531711 /nfs/dbraw/zinc/53/17/11/599531711.db2.gz GIQPXVZXONPWKI-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000819765375 599630682 /nfs/dbraw/zinc/63/06/82/599630682.db2.gz PDNBWUGVBISVPN-YRNVUSSQSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000819765375 599630683 /nfs/dbraw/zinc/63/06/83/599630683.db2.gz PDNBWUGVBISVPN-YRNVUSSQSA-N -1 3 398.348 3.799 20 30 GHEDHM C=CCOc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819759143 599631787 /nfs/dbraw/zinc/63/17/87/599631787.db2.gz OYRZCVGDZVOREZ-UHFFFAOYSA-N -1 3 389.337 3.703 20 30 GHEDHM C=CCOc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819759143 599631788 /nfs/dbraw/zinc/63/17/88/599631788.db2.gz OYRZCVGDZVOREZ-UHFFFAOYSA-N -1 3 389.337 3.703 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000819744095 599677727 /nfs/dbraw/zinc/67/77/27/599677727.db2.gz WDIVQDOMXLTNBV-ZHALLVOQSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000819744095 599677728 /nfs/dbraw/zinc/67/77/28/599677728.db2.gz WDIVQDOMXLTNBV-ZHALLVOQSA-N -1 3 380.496 3.533 20 30 GHEDHM N#Cc1ccc(CNCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(F)c1 ZINC000822826440 607483034 /nfs/dbraw/zinc/48/30/34/607483034.db2.gz YNXGJNOEJVGMLH-UHFFFAOYSA-N -1 3 390.447 3.896 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000823909623 607674029 /nfs/dbraw/zinc/67/40/29/607674029.db2.gz LEOVMUDYGYOXBD-DLBZAZTESA-N -1 3 379.489 3.555 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000823909623 607674031 /nfs/dbraw/zinc/67/40/31/607674031.db2.gz LEOVMUDYGYOXBD-DLBZAZTESA-N -1 3 379.489 3.555 20 30 GHEDHM Cn1cc(CN[C@@H]2CCc3cc(NC(=O)[O-])ccc32)c(-c2ccc(C#N)cc2)n1 ZINC000833946515 605984048 /nfs/dbraw/zinc/98/40/48/605984048.db2.gz KPVXAZWKMAAZQO-HXUWFJFHSA-N -1 3 387.443 3.826 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)Oc1ccccc1C ZINC000819743715 606125634 /nfs/dbraw/zinc/12/56/34/606125634.db2.gz OZMJIXPIYGRMCT-IBGZPJMESA-N -1 3 391.475 3.547 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)Oc1ccccc1C ZINC000819743715 606125635 /nfs/dbraw/zinc/12/56/35/606125635.db2.gz OZMJIXPIYGRMCT-IBGZPJMESA-N -1 3 391.475 3.547 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCCCC2)c(F)c1 ZINC000822923303 606389617 /nfs/dbraw/zinc/38/96/17/606389617.db2.gz POOSKIYVWHDJNZ-YVMONPNESA-N -1 3 383.452 3.954 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822837643 606557531 /nfs/dbraw/zinc/55/75/31/606557531.db2.gz PXNJEZCLMAKMAH-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822837643 606557533 /nfs/dbraw/zinc/55/75/33/606557533.db2.gz PXNJEZCLMAKMAH-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM C=CCC(CC=C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819733839 606951280 /nfs/dbraw/zinc/95/12/80/606951280.db2.gz CBEHWVOBIQRICJ-MRXNPFEDSA-N -1 3 390.472 3.935 20 30 GHEDHM C=CCC(CC=C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819733839 606951282 /nfs/dbraw/zinc/95/12/82/606951282.db2.gz CBEHWVOBIQRICJ-MRXNPFEDSA-N -1 3 390.472 3.935 20 30 GHEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ccc(F)c(C#N)c2)n1 ZINC000822192008 607006777 /nfs/dbraw/zinc/00/67/77/607006777.db2.gz WRHZRSSBJCHXLX-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM N#Cc1ccc(CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000822825717 607199383 /nfs/dbraw/zinc/19/93/83/607199383.db2.gz MOURAYMVCSTRPZ-UHFFFAOYSA-N -1 3 393.838 3.588 20 30 GHEDHM N#Cc1ccc(CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000822825717 607199384 /nfs/dbraw/zinc/19/93/84/607199384.db2.gz MOURAYMVCSTRPZ-UHFFFAOYSA-N -1 3 393.838 3.588 20 30 GHEDHM N#Cc1ccc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)cc1-c1nnn[n-]1 ZINC000826385663 607796258 /nfs/dbraw/zinc/79/62/58/607796258.db2.gz WBDHOPOCJHXROI-UHFFFAOYSA-N -1 3 394.394 3.819 20 30 GHEDHM N#Cc1ccc(NC(=O)Cc2cc3c(ccc4ccccc34)o2)cc1-c1nn[n-]n1 ZINC000826385663 607796259 /nfs/dbraw/zinc/79/62/59/607796259.db2.gz WBDHOPOCJHXROI-UHFFFAOYSA-N -1 3 394.394 3.819 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C#N ZINC000824721851 607806256 /nfs/dbraw/zinc/80/62/56/607806256.db2.gz FLFRFRJUAHOARE-CYBMUJFWSA-N -1 3 376.420 3.705 20 30 GHEDHM COc1cc(C#N)ccc1OCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826176828 607844762 /nfs/dbraw/zinc/84/47/62/607844762.db2.gz GCXZZEYEPXOHFP-UHFFFAOYSA-N -1 3 387.852 3.571 20 30 GHEDHM COc1cc(C#N)ccc1OCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826176828 607844763 /nfs/dbraw/zinc/84/47/63/607844763.db2.gz GCXZZEYEPXOHFP-UHFFFAOYSA-N -1 3 387.852 3.571 20 30 GHEDHM N#CCc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000826382473 607965941 /nfs/dbraw/zinc/96/59/41/607965941.db2.gz GJGGRXOKNYJHMD-UHFFFAOYSA-N -1 3 381.395 3.819 20 30 GHEDHM N#CCc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000826382473 607965942 /nfs/dbraw/zinc/96/59/42/607965942.db2.gz GJGGRXOKNYJHMD-UHFFFAOYSA-N -1 3 381.395 3.819 20 30 GHEDHM C[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824926058 608141760 /nfs/dbraw/zinc/14/17/60/608141760.db2.gz INXAPCLHMDFTLF-BYCMXARLSA-N -1 3 378.461 3.603 20 30 GHEDHM C[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824926058 608141761 /nfs/dbraw/zinc/14/17/61/608141761.db2.gz INXAPCLHMDFTLF-BYCMXARLSA-N -1 3 378.461 3.603 20 30 GHEDHM C=CCN(C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000823904059 608259482 /nfs/dbraw/zinc/25/94/82/608259482.db2.gz UDKMVJCNSJTHAP-UHFFFAOYSA-N -1 3 376.420 3.841 20 30 GHEDHM C=CCN(C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000823904059 608259484 /nfs/dbraw/zinc/25/94/84/608259484.db2.gz UDKMVJCNSJTHAP-UHFFFAOYSA-N -1 3 376.420 3.841 20 30 GHEDHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824928156 608307656 /nfs/dbraw/zinc/30/76/56/608307656.db2.gz RMERPTVPMXSKPI-YJBOKZPZSA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824928156 608307658 /nfs/dbraw/zinc/30/76/58/608307658.db2.gz RMERPTVPMXSKPI-YJBOKZPZSA-N -1 3 396.495 3.833 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1cccc(-c2nnn[n-]2)c1F ZINC000826382146 608405420 /nfs/dbraw/zinc/40/54/20/608405420.db2.gz QIKFWVROGUGSEU-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM N#CCOc1ccc(Cl)cc1CSCc1cccc(-c2nn[n-]n2)c1F ZINC000826382146 608405422 /nfs/dbraw/zinc/40/54/22/608405422.db2.gz QIKFWVROGUGSEU-UHFFFAOYSA-N -1 3 389.843 3.995 20 30 GHEDHM N#Cc1ccc(Cl)cc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826385685 608557366 /nfs/dbraw/zinc/55/73/66/608557366.db2.gz WZGDFXIDAKDIMA-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1ccc(Cl)cc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826385685 608557368 /nfs/dbraw/zinc/55/73/68/608557368.db2.gz WZGDFXIDAKDIMA-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)o1 ZINC000826384875 608612922 /nfs/dbraw/zinc/61/29/22/608612922.db2.gz NDYJOQZRBSEDRR-UHFFFAOYSA-N -1 3 388.406 3.673 20 30 GHEDHM N#Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)o1 ZINC000826384875 608612923 /nfs/dbraw/zinc/61/29/23/608612923.db2.gz NDYJOQZRBSEDRR-UHFFFAOYSA-N -1 3 388.406 3.673 20 30 GHEDHM CCc1c(C)sc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1-c1nnn[n-]1 ZINC000825687666 609183628 /nfs/dbraw/zinc/18/36/28/609183628.db2.gz LGJRIFTWOFBVAA-UHFFFAOYSA-N -1 3 378.461 3.607 20 30 GHEDHM CCc1c(C)sc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1-c1nn[n-]n1 ZINC000825687666 609183630 /nfs/dbraw/zinc/18/36/30/609183630.db2.gz LGJRIFTWOFBVAA-UHFFFAOYSA-N -1 3 378.461 3.607 20 30 GHEDHM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000824347863 609271158 /nfs/dbraw/zinc/27/11/58/609271158.db2.gz PVDLQSTUZDBVEK-YWEYNIOJSA-N -1 3 381.367 3.934 20 30 GHEDHM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000824347863 609271159 /nfs/dbraw/zinc/27/11/59/609271159.db2.gz PVDLQSTUZDBVEK-YWEYNIOJSA-N -1 3 381.367 3.934 20 30 GHEDHM CCCCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1Cl ZINC000825300677 609271394 /nfs/dbraw/zinc/27/13/94/609271394.db2.gz CMUQYCFXVZBSMQ-FPLPWBNLSA-N -1 3 388.834 3.860 20 30 GHEDHM CCCCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1Cl ZINC000825300677 609271396 /nfs/dbraw/zinc/27/13/96/609271396.db2.gz CMUQYCFXVZBSMQ-FPLPWBNLSA-N -1 3 388.834 3.860 20 30 GHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000826273482 609272533 /nfs/dbraw/zinc/27/25/33/609272533.db2.gz GHZVUSKNCHZPEJ-VQHVLOKHSA-N -1 3 375.363 3.865 20 30 GHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000826273482 609272535 /nfs/dbraw/zinc/27/25/35/609272535.db2.gz GHZVUSKNCHZPEJ-VQHVLOKHSA-N -1 3 375.363 3.865 20 30 GHEDHM CC(C)Oc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1-c1nnn[n-]1 ZINC000824329897 609492225 /nfs/dbraw/zinc/49/22/25/609492225.db2.gz XMTLOXATRCINNG-CQSZACIVSA-N -1 3 378.436 3.557 20 30 GHEDHM CC(C)Oc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1-c1nn[n-]n1 ZINC000824329897 609492227 /nfs/dbraw/zinc/49/22/27/609492227.db2.gz XMTLOXATRCINNG-CQSZACIVSA-N -1 3 378.436 3.557 20 30 GHEDHM COC(=O)COc1c(C)cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1C ZINC000176604989 837461668 /nfs/dbraw/zinc/46/16/68/837461668.db2.gz CHUMZNARFJIMLQ-OAHLLOKOSA-N -1 3 386.473 3.925 20 30 GHEDHM CCC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(C(F)(F)F)c1 ZINC000428236676 834866022 /nfs/dbraw/zinc/86/60/22/834866022.db2.gz IKDCHPHJADIRKT-CQSZACIVSA-N -1 3 383.395 3.792 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H](C)c2cccs2)CCCC1 ZINC000329868978 835157204 /nfs/dbraw/zinc/15/72/04/835157204.db2.gz YDMGZMZXSOLQLC-LLVKDONJSA-N -1 3 397.522 3.662 20 30 GHEDHM [O-]c1ccc(Br)cc1C=Nc1ccc(N2CCOCC2)c(F)c1 ZINC000255758465 835749072 /nfs/dbraw/zinc/74/90/72/835749072.db2.gz XEMOHTXIVVMCNS-UHFFFAOYSA-N -1 3 379.229 3.881 20 30 GHEDHM CC(C)Cn1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000892485056 836048508 /nfs/dbraw/zinc/04/85/08/836048508.db2.gz UFHFJBJOMWLZSZ-CQSZACIVSA-N -1 3 392.431 3.815 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000728232044 836522965 /nfs/dbraw/zinc/52/29/65/836522965.db2.gz RKBQLJSYDHBICQ-BJIFSAINSA-N -1 3 397.471 3.851 20 30 GHEDHM Cc1nc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)sc1SCC#N ZINC000610253920 836523946 /nfs/dbraw/zinc/52/39/46/836523946.db2.gz GQKWFPZCAROHPQ-UHFFFAOYSA-N -1 3 375.410 3.509 20 30 GHEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000189745822 838392909 /nfs/dbraw/zinc/39/29/09/838392909.db2.gz HDRQVJFRVYZWNK-UHFFFAOYSA-N -1 3 377.672 3.836 20 30 GHEDHM CCN(Cc1ccccc1)C(=O)C/N=C\c1cc(Br)ccc1[O-] ZINC000122260368 838546394 /nfs/dbraw/zinc/54/63/94/838546394.db2.gz UGSLOIHOZFDWAE-JAIQZWGSSA-N -1 3 375.266 3.622 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(Br)cc1 ZINC000041481850 838627308 /nfs/dbraw/zinc/62/73/08/838627308.db2.gz RRHRGVIFTPSHPR-HNNXBMFYSA-N -1 3 381.233 3.828 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C(=O)Nc3ccccc3)c2C)c1[O-] ZINC000748149492 838908166 /nfs/dbraw/zinc/90/81/66/838908166.db2.gz ZRKAOHXRJULUPF-UHFFFAOYSA-N -1 3 375.428 3.899 20 30 GHEDHM Cc1ccc([C@H](C/N=C\c2cc(Br)ccc2[O-])N2CCOCC2)o1 ZINC000255274766 840760851 /nfs/dbraw/zinc/76/08/51/840760851.db2.gz XPGGYWUWKYZHMI-VBNMEBLOSA-N -1 3 393.281 3.549 20 30 GHEDHM COc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OCCCC#N ZINC000417617774 841058702 /nfs/dbraw/zinc/05/87/02/841058702.db2.gz CMEONUCULBRNRJ-MOPGFXCFSA-N -1 3 380.444 3.781 20 30 GHEDHM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3cccc(C)c3)cs2)n1C ZINC000136592837 841678429 /nfs/dbraw/zinc/67/84/29/841678429.db2.gz NQBLGVKXFCZQRK-HNNXBMFYSA-N -1 3 378.457 3.727 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc(C)cs1 ZINC000157284098 841749398 /nfs/dbraw/zinc/74/93/98/841749398.db2.gz IMHFNXJMULKLAD-LBPRGKRZSA-N -1 3 389.424 3.772 20 30 GHEDHM CCCCN(Cc1ccccc1F)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000123683134 841821779 /nfs/dbraw/zinc/82/17/79/841821779.db2.gz LPCIKONYVINOQD-UHFFFAOYSA-N -1 3 383.467 3.764 20 30 GHEDHM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)o1 ZINC000157334476 841842411 /nfs/dbraw/zinc/84/24/11/841842411.db2.gz CLHZGFSAJBTPFU-UHFFFAOYSA-N -1 3 393.790 3.679 20 30 GHEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)CC#N)ccc2C)c(C)c1 ZINC000512013293 842130339 /nfs/dbraw/zinc/13/03/39/842130339.db2.gz ZVODOAKGYNOWBQ-QGZVFWFLSA-N -1 3 399.516 3.753 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1Br ZINC000432774604 843778111 /nfs/dbraw/zinc/77/81/11/843778111.db2.gz CXXWNMRVGXWMGS-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(F)(F)F ZINC000431183729 843835259 /nfs/dbraw/zinc/83/52/59/843835259.db2.gz QPFWHAIXFUEIBK-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OCc4cscn4)c3)nc1-2 ZINC000429584167 843977883 /nfs/dbraw/zinc/97/78/83/843977883.db2.gz MJIDMWIXMDHELR-INIZCTEOSA-N -1 3 389.440 3.792 20 30 GHEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433617106 845069542 /nfs/dbraw/zinc/06/95/42/845069542.db2.gz ONIPRKSKIXZNGC-UHFFFAOYSA-N -1 3 391.699 3.514 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421462103 846255732 /nfs/dbraw/zinc/25/57/32/846255732.db2.gz TZUFBLDWTUEMTM-LLVKDONJSA-N -1 3 380.516 3.656 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(-c2cccs2)o1 ZINC000731508186 861686497 /nfs/dbraw/zinc/68/64/97/861686497.db2.gz MZRIOHXUHIVOOK-UHFFFAOYSA-N -1 3 383.429 3.668 20 30 GHEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)CCCC2)n1 ZINC000183661591 846674486 /nfs/dbraw/zinc/67/44/86/846674486.db2.gz QXGZEPORXKEHKJ-UHFFFAOYSA-N -1 3 381.910 3.724 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2F)co1 ZINC000366456436 846737382 /nfs/dbraw/zinc/73/73/82/846737382.db2.gz GNOOTIHDKOBRBV-UHFFFAOYSA-N -1 3 380.379 3.641 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3F)oc2C)cc1 ZINC000121786298 846758604 /nfs/dbraw/zinc/75/86/04/846758604.db2.gz PZUXSZPCLVURKW-INIZCTEOSA-N -1 3 393.374 3.759 20 30 GHEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503779777 847940294 /nfs/dbraw/zinc/94/02/94/847940294.db2.gz XPGGTPLYWIAMOQ-SNVBAGLBSA-N -1 3 380.279 3.620 20 30 GHEDHM C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000135657960 848299481 /nfs/dbraw/zinc/29/94/81/848299481.db2.gz DHUMGGRWWVUAIK-UHFFFAOYSA-N -1 3 376.453 3.665 20 30 GHEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000517707890 852276215 /nfs/dbraw/zinc/27/62/15/852276215.db2.gz WOKZQOWYAHKEAO-UHFFFAOYSA-N -1 3 396.921 3.942 20 30 GHEDHM CCCCOc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)c([O-])c1 ZINC000436927066 852508106 /nfs/dbraw/zinc/50/81/06/852508106.db2.gz OBKXAQKEIYQUFK-UHFFFAOYSA-N -1 3 382.460 3.732 20 30 GHEDHM Cc1ncc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(=O)[n-]1 ZINC000544259737 852870160 /nfs/dbraw/zinc/87/01/60/852870160.db2.gz PDNDFGJVQQRHDE-UHFFFAOYSA-N -1 3 394.818 3.738 20 30 GHEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298597 853209243 /nfs/dbraw/zinc/20/92/43/853209243.db2.gz NQYIPKXXTCQZRY-RGVLZGJSSA-N -1 3 391.427 3.707 20 30 GHEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298597 853209247 /nfs/dbraw/zinc/20/92/47/853209247.db2.gz NQYIPKXXTCQZRY-RGVLZGJSSA-N -1 3 391.427 3.707 20 30 GHEDHM C[C@@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1=O ZINC000328972387 854637732 /nfs/dbraw/zinc/63/77/32/854637732.db2.gz VKKVVBVQELDOKD-TZMCWYRMSA-N -1 3 392.883 3.878 20 30 GHEDHM N#CC1(CC(=O)N=c2cc(-c3cc(Br)ccc3Cl)[n-][nH]2)CC1 ZINC000590296575 855351773 /nfs/dbraw/zinc/35/17/73/855351773.db2.gz AUBWAVATHDQIDE-UHFFFAOYSA-N -1 3 379.645 3.547 20 30 GHEDHM N#Cc1cc(Cl)c(C(=O)[N-]c2nnc(C3CCOCC3)s2)c(Cl)c1 ZINC000590522190 855479818 /nfs/dbraw/zinc/47/98/18/855479818.db2.gz JWEGOPJBWJBVOU-UHFFFAOYSA-N -1 3 383.260 3.863 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[n-]n1 ZINC000542834565 856074012 /nfs/dbraw/zinc/07/40/12/856074012.db2.gz RFMIDRMUCAKKFW-UHFFFAOYSA-N -1 3 390.399 3.811 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n[n-]1 ZINC000542834565 856074020 /nfs/dbraw/zinc/07/40/20/856074020.db2.gz RFMIDRMUCAKKFW-UHFFFAOYSA-N -1 3 390.399 3.811 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482169359 862769166 /nfs/dbraw/zinc/76/91/66/862769166.db2.gz MCZSGGFSVMLMSR-UHFFFAOYSA-N -1 3 391.294 3.800 20 30 GHEDHM COc1ccccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058804 856376987 /nfs/dbraw/zinc/37/69/87/856376987.db2.gz WQGUTJXHFSCURJ-UHFFFAOYSA-N -1 3 381.457 3.942 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccco3)sc2C)cc1 ZINC000131781330 856791498 /nfs/dbraw/zinc/79/14/98/856791498.db2.gz HOVJLHIERUUKET-CQSZACIVSA-N -1 3 381.413 3.681 20 30 GHEDHM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1F ZINC000174771392 857380901 /nfs/dbraw/zinc/38/09/01/857380901.db2.gz GNAYJVWSNNKKIE-INIZCTEOSA-N -1 3 390.436 3.800 20 30 GHEDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000521422345 857963746 /nfs/dbraw/zinc/96/37/46/857963746.db2.gz QYLNQMSYWDIUIE-ZWNOBZJWSA-N -1 3 384.379 3.772 20 30 GHEDHM N#CCCC1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1 ZINC000574574470 858092788 /nfs/dbraw/zinc/09/27/88/858092788.db2.gz FNPVUNSNSVBPNG-UHFFFAOYSA-N -1 3 393.365 3.583 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1-c1nnn[n-]1 ZINC000737703350 858730635 /nfs/dbraw/zinc/73/06/35/858730635.db2.gz BFDCLRNSSXNUEF-LSDHHAIUSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1-c1nn[n-]n1 ZINC000737703350 858730641 /nfs/dbraw/zinc/73/06/41/858730641.db2.gz BFDCLRNSSXNUEF-LSDHHAIUSA-N -1 3 399.241 3.787 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1-c1ccn(C)n1 ZINC000483235403 859231176 /nfs/dbraw/zinc/23/11/76/859231176.db2.gz SYNQIVZXWRLFRL-MRXNPFEDSA-N -1 3 383.411 3.529 20 30 GHEDHM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000483228055 859240784 /nfs/dbraw/zinc/24/07/84/859240784.db2.gz CCIOQABEOYZSLB-FQEVSTJZSA-N -1 3 386.411 3.642 20 30 GHEDHM C=CCCOCCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000611424042 859756424 /nfs/dbraw/zinc/75/64/24/859756424.db2.gz DMPHAQICXNVIDM-UHFFFAOYSA-N -1 3 389.233 3.698 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(C(=O)OCc3ccccc3)c2)c1[O-] ZINC000727265723 860020313 /nfs/dbraw/zinc/02/03/13/860020313.db2.gz WDJRQXSAYHBVGO-CFRMEGHHSA-N -1 3 390.439 3.564 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000094101526 860413319 /nfs/dbraw/zinc/41/33/19/860413319.db2.gz LXTNVQJWMGPLHW-QGZVFWFLSA-N -1 3 391.515 3.767 20 30 GHEDHM N#Cc1ccc(CN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C2CC2)cc1 ZINC000603041782 860453537 /nfs/dbraw/zinc/45/35/37/860453537.db2.gz RCGSGKPDVSBHFD-UHFFFAOYSA-N -1 3 397.788 3.589 20 30 GHEDHM Cc1nn(C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3nc4ccccc4n3C)c12 ZINC000193264158 863503489 /nfs/dbraw/zinc/50/34/89/863503489.db2.gz KLITUHOHSAFKCL-HNNXBMFYSA-N -1 3 384.443 3.531 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3)n2)c1 ZINC000127078770 863527600 /nfs/dbraw/zinc/52/76/00/863527600.db2.gz PJJBPEZCBPEQBG-INIZCTEOSA-N -1 3 377.425 3.780 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2SC)ccc1F ZINC000184609510 864759181 /nfs/dbraw/zinc/75/91/81/864759181.db2.gz ZFVYBCFSKRPLHV-UHFFFAOYSA-N -1 3 394.493 3.573 20 30 GHEDHM COc1ccc(-c2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3)s2)cc1 ZINC000173965934 865261861 /nfs/dbraw/zinc/26/18/61/865261861.db2.gz JYZPAKMLHRHRET-INIZCTEOSA-N -1 3 377.425 3.780 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(Br)c1 ZINC000173977012 865294054 /nfs/dbraw/zinc/29/40/54/865294054.db2.gz HDCDWUOAWBQORW-NSHDSACASA-N -1 3 391.196 3.558 20 30 GHEDHM N#CC(=C([O-])c1ccc(Br)c(OC(F)(F)F)c1)c1ccncn1 ZINC000555122116 865561276 /nfs/dbraw/zinc/56/12/76/865561276.db2.gz CXUXVTMGNIYIMA-SECBINFHSA-N -1 3 386.127 3.628 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1nccc2ccccc21 ZINC000740761432 865988298 /nfs/dbraw/zinc/98/82/98/865988298.db2.gz RZFRBUVJWOFDLL-GOSISDBHSA-N -1 3 389.440 3.510 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H](COCc2ccccc2)c2ccccc2)c1[O-] ZINC000740763489 866005889 /nfs/dbraw/zinc/00/58/89/866005889.db2.gz JTKAEHBHAICCMW-GHJVFANLSA-N -1 3 376.456 3.965 20 30 GHEDHM N#Cc1cnc2c(Br)cccc2c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000440650049 867718815 /nfs/dbraw/zinc/71/88/15/867718815.db2.gz MFGQKUKWNQRKOT-UHFFFAOYSA-N -1 3 397.158 3.618 20 30 GHEDHM N#Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)ccc1Oc1ccccc1 ZINC000445928998 869167281 /nfs/dbraw/zinc/16/72/81/869167281.db2.gz WPKOEGBBLKWXPR-CQSZACIVSA-N -1 3 375.306 3.728 20 30 GHEDHM Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)s1 ZINC001192898199 870755598 /nfs/dbraw/zinc/75/55/98/870755598.db2.gz LLQVRPAQTQKBCG-UHFFFAOYSA-N -1 3 392.362 3.997 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)c2ccccc2Sc2ccccc2C#N)[n-]1 ZINC000617874082 870987152 /nfs/dbraw/zinc/98/71/52/870987152.db2.gz YDNYMCNMOQWZKB-UHFFFAOYSA-N -1 3 392.440 3.862 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)c2ccccc2Sc2ccccc2C#N)c[n-]1 ZINC000617874082 870987162 /nfs/dbraw/zinc/98/71/62/870987162.db2.gz YDNYMCNMOQWZKB-UHFFFAOYSA-N -1 3 392.440 3.862 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3cccc(C)c3C)nc(=O)c2c1C ZINC000069578841 871131567 /nfs/dbraw/zinc/13/15/67/871131567.db2.gz JZRUKKUZGSRTCW-UHFFFAOYSA-N -1 3 396.468 3.678 20 30 GHEDHM N#Cc1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(F)c1 ZINC000772841533 882512227 /nfs/dbraw/zinc/51/22/27/882512227.db2.gz GSIBVLSBMZKTBM-UHFFFAOYSA-N -1 3 394.431 3.944 20 30 GHEDHM C#CCCN(CC(F)(F)F)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000767221219 872332772 /nfs/dbraw/zinc/33/27/72/872332772.db2.gz RGOFXRHCWKXSEY-UHFFFAOYSA-N -1 3 378.354 3.577 20 30 GHEDHM Cc1csc(-c2cccc(OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)n1 ZINC000102154289 872647360 /nfs/dbraw/zinc/64/73/60/872647360.db2.gz MBIFDCDOQUSWML-UHFFFAOYSA-N -1 3 393.468 3.834 20 30 GHEDHM COc1cc(C(=O)/C=C/c2ccc(Br)cc2[N+](=O)[O-])ccc1[O-] ZINC000767718846 872783646 /nfs/dbraw/zinc/78/36/46/872783646.db2.gz XYSBVQAYXHXQPM-ZZXKWVIFSA-N -1 3 378.178 3.968 20 30 GHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001196679895 873280053 /nfs/dbraw/zinc/28/00/53/873280053.db2.gz PVYDSKOLHQHMCF-UHFFFAOYSA-N -1 3 375.881 3.608 20 30 GHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1c(F)cccc1C(F)(F)F ZINC001196701696 873310839 /nfs/dbraw/zinc/31/08/39/873310839.db2.gz HYLJMSOEXNKNJY-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)ccc1Br ZINC001197287414 873714507 /nfs/dbraw/zinc/71/45/07/873714507.db2.gz SCYWSQZXLFFWQJ-UHFFFAOYSA-N -1 3 392.278 3.784 20 30 GHEDHM Fc1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)ccc1Cl ZINC000921256299 882757106 /nfs/dbraw/zinc/75/71/06/882757106.db2.gz LVHAWWOOYYDPSP-OAHLLOKOSA-N -1 3 390.827 3.754 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cscc1Cl ZINC000771871280 875508398 /nfs/dbraw/zinc/50/83/98/875508398.db2.gz LNRVUYOSAGCUIX-ZDUSSCGKSA-N -1 3 378.866 3.676 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(F)cc2F)cc1C#N ZINC001201317603 875628498 /nfs/dbraw/zinc/62/84/98/875628498.db2.gz WMOOEGBPWLGNSI-UHFFFAOYSA-N -1 3 376.306 3.965 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-][C@H](Cc1ccccn1)C(=O)OCC ZINC001201837340 875898309 /nfs/dbraw/zinc/89/83/09/875898309.db2.gz UGQDWZAAJIERIR-LJQANCHMSA-N -1 3 398.569 3.616 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)ccc1C#N ZINC000443886890 876372768 /nfs/dbraw/zinc/37/27/68/876372768.db2.gz DYXGYXGNPDLRHI-OAHLLOKOSA-N -1 3 390.333 3.727 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000130298181 883022560 /nfs/dbraw/zinc/02/25/60/883022560.db2.gz ONRQKFZBGKAJBS-CYBMUJFWSA-N -1 3 387.779 3.526 20 30 GHEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000530134215 877184962 /nfs/dbraw/zinc/18/49/62/877184962.db2.gz OJDBIZGHRGBUJG-LJQANCHMSA-N -1 3 392.452 3.638 20 30 GHEDHM COc1ccc(/C=C2/CCc3cc(C#N)cnc3C2=O)c(Br)c1[O-] ZINC000788356516 878026665 /nfs/dbraw/zinc/02/66/65/878026665.db2.gz NFQCSWISMYIYQK-QPEQYQDCSA-N -1 3 385.217 3.642 20 30 GHEDHM CSc1nc(C2CC2)cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1C#N ZINC000538222082 879041529 /nfs/dbraw/zinc/04/15/29/879041529.db2.gz MTIKASBYTZUJPW-UHFFFAOYSA-N -1 3 389.484 3.925 20 30 GHEDHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c(F)c1F ZINC000461104625 879180711 /nfs/dbraw/zinc/18/07/11/879180711.db2.gz VDUIQXQWQHHXMS-UHFFFAOYSA-N -1 3 398.344 3.925 20 30 GHEDHM C#CCn1ccc(CN(CC)C(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000790117907 879451116 /nfs/dbraw/zinc/45/11/16/879451116.db2.gz ICYJVVMXYRACFN-UHFFFAOYSA-N -1 3 375.428 3.677 20 30 GHEDHM C=CC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000452773381 880015921 /nfs/dbraw/zinc/01/59/21/880015921.db2.gz BAURHCKPBINQIF-UHFFFAOYSA-N -1 3 390.480 3.877 20 30 GHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cccc(Br)c1 ZINC000106353706 885042104 /nfs/dbraw/zinc/04/21/04/885042104.db2.gz MJZVDCJXPDQHCW-OAHLLOKOSA-N -1 3 381.233 3.828 20 30 GHEDHM O=C1Nc2ccc(Br)cc2C1=N[N-]c1ncccc1C(F)(F)F ZINC000915051560 885584994 /nfs/dbraw/zinc/58/49/94/885584994.db2.gz ZRWGDEHWLZYRLC-UHFFFAOYSA-N -1 3 385.143 3.631 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C2CC3(C2)CC(F)(F)C3)c(C)c1[O-] ZINC001184203206 913069757 /nfs/dbraw/zinc/06/97/57/913069757.db2.gz ZEMBRXQQGNJPPU-UHFFFAOYSA-N -1 3 378.375 3.513 20 30 GHEDHM FC(F)c1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000794471417 886763912 /nfs/dbraw/zinc/76/39/12/886763912.db2.gz RRNHNJXRODWTNJ-OAHLLOKOSA-N -1 3 388.399 3.899 20 30 GHEDHM O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N([O-])Cc1ccccc1Cl ZINC001184284129 913133342 /nfs/dbraw/zinc/13/33/42/913133342.db2.gz ZHRPKSSOBFVVAO-HNNXBMFYSA-N -1 3 393.270 3.760 20 30 GHEDHM CCc1c(C(=O)N([O-])Cc2ccccc2Cl)nnn1Cc1ccc(F)cc1 ZINC001184283288 913133420 /nfs/dbraw/zinc/13/34/20/913133420.db2.gz FPMAPLSWRHRPBB-UHFFFAOYSA-N -1 3 388.830 3.713 20 30 GHEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc([C@@H](C)CCC)no1 ZINC000809359484 887328102 /nfs/dbraw/zinc/32/81/02/887328102.db2.gz PDKYHWZCYVMLOO-ZFWWWQNUSA-N -1 3 390.509 3.943 20 30 GHEDHM CC[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC[C@@H]1c1ccccc1 ZINC000173529493 887352448 /nfs/dbraw/zinc/35/24/48/887352448.db2.gz GQCOTLNJAFITPU-NQIIRXRSSA-N -1 3 391.515 3.838 20 30 GHEDHM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293201 913143623 /nfs/dbraw/zinc/14/36/23/913143623.db2.gz JGWCETLPWSPFNC-QGZVFWFLSA-N -1 3 378.538 3.565 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000794587593 887541311 /nfs/dbraw/zinc/54/13/11/887541311.db2.gz LWVPZAMWNYTFBU-UHFFFAOYSA-N -1 3 375.881 3.807 20 30 GHEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC001184341173 913158066 /nfs/dbraw/zinc/15/80/66/913158066.db2.gz VKEYSNIGDWUCAT-HNNXBMFYSA-N -1 3 383.469 3.765 20 30 GHEDHM COc1ccc(OC(F)F)c(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000763103521 887665329 /nfs/dbraw/zinc/66/53/29/887665329.db2.gz DHEMSNICOBOFCK-XQRVVYSFSA-N -1 3 380.343 3.916 20 30 GHEDHM CCC(CC)(C/N=C\c1c([O-])c(C)ncc1CO)c1ccc(OC)c(OC)c1 ZINC000763360384 888786054 /nfs/dbraw/zinc/78/60/54/888786054.db2.gz AANVSNCHHLSFBG-FMCGGJTJSA-N -1 3 386.492 3.782 20 30 GHEDHM C=CCOc1ccccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916320034 888920942 /nfs/dbraw/zinc/92/09/42/888920942.db2.gz WTFNVIHYIDQRRE-GOSISDBHSA-N -1 3 394.456 3.526 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000811187023 889271621 /nfs/dbraw/zinc/27/16/21/889271621.db2.gz HKBQOXMWJVERBA-LLVKDONJSA-N -1 3 383.791 3.809 20 30 GHEDHM COCc1sccc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000870136934 890226055 /nfs/dbraw/zinc/22/60/55/890226055.db2.gz OLNUAJUCKNGXQP-GFCCVEGCSA-N -1 3 392.864 3.826 20 30 GHEDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(C#N)cc(N(C)C)c3)nc(=O)c2c1C ZINC000814571623 892889081 /nfs/dbraw/zinc/88/90/81/892889081.db2.gz UDUNKOYKBCGEED-NSHDSACASA-N -1 3 396.472 3.869 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ncc(-c2ccccc2)o1 ZINC000163498225 895028805 /nfs/dbraw/zinc/02/88/05/895028805.db2.gz HTJYKGBUCJVUJB-CYBMUJFWSA-N -1 3 385.420 3.533 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2ccc3c(c2)CCC3)c(C)c1[O-] ZINC001185764087 914070049 /nfs/dbraw/zinc/07/00/49/914070049.db2.gz UNXMUCBTNGTFFB-UHFFFAOYSA-N -1 3 379.416 3.882 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)ccc1Sc1ccccc1 ZINC000820482138 897352108 /nfs/dbraw/zinc/35/21/08/897352108.db2.gz DSCICIGSKFBNSS-OAHLLOKOSA-N -1 3 376.865 3.601 20 30 GHEDHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)n1-c1ccc(C#N)cc1 ZINC000822110046 898225325 /nfs/dbraw/zinc/22/53/25/898225325.db2.gz UOJBMRLDVJSCTF-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)n1-c1ccc(C#N)cc1 ZINC000822110046 898225341 /nfs/dbraw/zinc/22/53/41/898225341.db2.gz UOJBMRLDVJSCTF-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc2ccccc21 ZINC000156167157 899461752 /nfs/dbraw/zinc/46/17/52/899461752.db2.gz GZOXGZDSIXHCJT-CYBMUJFWSA-N -1 3 381.413 3.659 20 30 GHEDHM C[C@@H](NC(=O)C1(C#N)CC(C)C1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824867267 899844941 /nfs/dbraw/zinc/84/49/41/899844941.db2.gz OVOBIXBXDXMKPL-HEOKHYPTSA-N -1 3 386.459 3.651 20 30 GHEDHM C[C@@H](NC(=O)C1(C#N)CC(C)C1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824867267 899844956 /nfs/dbraw/zinc/84/49/56/899844956.db2.gz OVOBIXBXDXMKPL-HEOKHYPTSA-N -1 3 386.459 3.651 20 30 GHEDHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000844655085 901113869 /nfs/dbraw/zinc/11/38/69/901113869.db2.gz PUTSVGYPTIQCHA-INIZCTEOSA-N -1 3 399.516 3.514 20 30 GHEDHM C#CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCCc2ccccc21 ZINC000887234446 901614485 /nfs/dbraw/zinc/61/44/85/901614485.db2.gz VPJOVMCXLOQCQN-JOCHJYFZSA-N -1 3 387.483 3.748 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CSc1ccc2c(c1)OCCO2 ZINC000845842873 902409880 /nfs/dbraw/zinc/40/98/80/902409880.db2.gz WAKJBECQHRDDMZ-KRWDZBQOSA-N -1 3 393.464 3.560 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])COCc1nc2ccccc2s1 ZINC000845836420 902447583 /nfs/dbraw/zinc/44/75/83/902447583.db2.gz JOBFNEMUFBUYIU-MRXNPFEDSA-N -1 3 390.464 3.823 20 30 GHEDHM N#CC(C(=O)COCc1nc2ccccc2s1)=C([O-])C1(c2ccccc2)CC1 ZINC000845836420 902447594 /nfs/dbraw/zinc/44/75/94/902447594.db2.gz JOBFNEMUFBUYIU-MRXNPFEDSA-N -1 3 390.464 3.823 20 30 GHEDHM N#CC(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)=C([O-])C1(c2ccccc2)CC1 ZINC000845842286 902459017 /nfs/dbraw/zinc/45/90/17/902459017.db2.gz SZIAGRRKUBHPFG-MRXNPFEDSA-N -1 3 395.842 3.663 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000845842286 902459026 /nfs/dbraw/zinc/45/90/26/902459026.db2.gz SZIAGRRKUBHPFG-MRXNPFEDSA-N -1 3 395.842 3.663 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nc3ccc(C)cc3s2)c(C)c1[O-] ZINC001147559889 903822114 /nfs/dbraw/zinc/82/21/14/903822114.db2.gz GXWDOSDTUWCYLZ-UHFFFAOYSA-N -1 3 395.440 3.919 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(Cl)ccc2F)c(C)c1[O-] ZINC001148428473 904063216 /nfs/dbraw/zinc/06/32/16/904063216.db2.gz WHZFTWYCQCBWPH-UHFFFAOYSA-N -1 3 376.771 3.794 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000282778184 904315355 /nfs/dbraw/zinc/31/53/55/904315355.db2.gz FOCYZTPAXFJEHA-ZDUSSCGKSA-N -1 3 398.488 3.936 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1Cc1ccccn1 ZINC000190955201 906477948 /nfs/dbraw/zinc/47/79/48/906477948.db2.gz GISIXMVFXMBXQI-IBGZPJMESA-N -1 3 381.439 3.982 20 30 GHEDHM N#CC(=C([O-])c1ccc(C2CCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000192195223 907532782 /nfs/dbraw/zinc/53/27/82/907532782.db2.gz HVMDFALLBFSTMT-SFHVURJKSA-N -1 3 384.443 3.955 20 30 GHEDHM CC(C)(C)COS(=O)(=O)c1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001176261064 908029150 /nfs/dbraw/zinc/02/91/50/908029150.db2.gz YSHYCGSFSGXYCY-UHFFFAOYSA-N -1 3 377.466 3.555 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000194484618 908887077 /nfs/dbraw/zinc/88/70/77/908887077.db2.gz GEILBUIHRKRBOX-MRXNPFEDSA-N -1 3 382.782 3.626 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccs4)[nH]c3c2)cc1 ZINC000195662834 909029874 /nfs/dbraw/zinc/02/98/74/909029874.db2.gz JKOCGDLJWZZEHB-UHFFFAOYSA-N -1 3 380.454 3.964 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ccc3c(c2)CCCC3)c(C)c1[O-] ZINC001180392024 910110686 /nfs/dbraw/zinc/11/06/86/910110686.db2.gz BHNJRESCNRYXHJ-UHFFFAOYSA-N -1 3 392.455 3.809 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773981136 911194369 /nfs/dbraw/zinc/19/43/69/911194369.db2.gz XCAHZZJKYPSHLH-OAHLLOKOSA-N -1 3 396.809 3.685 20 30 GHEDHM O=S(=O)([N-]Cc1cc(F)c(F)c(F)c1)c1cc(C(F)(F)F)ccc1F ZINC001190329202 917262599 /nfs/dbraw/zinc/26/25/99/917262599.db2.gz YUZJOYRZWYHDTC-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccnc(C(F)(F)F)c2)C2CC2)c1 ZINC001190678057 917508141 /nfs/dbraw/zinc/50/81/41/917508141.db2.gz ZLPISLSGQPJRMA-INIZCTEOSA-N -1 3 399.369 3.541 20 30 GHEDHM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000007674041 919740336 /nfs/dbraw/zinc/74/03/36/919740336.db2.gz MDPHHJXOEUFKOQ-QGZVFWFLSA-N -1 3 394.471 3.536 20 30 GHEDHM CN1C(=O)C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901373436 921049219 /nfs/dbraw/zinc/04/92/19/921049219.db2.gz ZUZBZBRKDIORLP-KSSFIOAISA-N -1 3 394.805 3.556 20 30 GHEDHM CC(C)(C)OC(=O)N1CC(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901378265 921055364 /nfs/dbraw/zinc/05/53/64/921055364.db2.gz JYOQGHUQQBYJAA-UHFFFAOYSA-N -1 3 389.279 3.968 20 30 GHEDHM C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)n1nnc(-c2ccccc2)n1 ZINC000901379314 921056502 /nfs/dbraw/zinc/05/65/02/921056502.db2.gz ZQFMOYBDPOIMSP-LLVKDONJSA-N -1 3 392.246 3.626 20 30 GHEDHM O=C(N[C@H](Cc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901379439 921056580 /nfs/dbraw/zinc/05/65/80/921056580.db2.gz ZDVATXKLSOKUAR-OAQYLSRUSA-N -1 3 392.430 3.585 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000370637371 924222651 /nfs/dbraw/zinc/22/26/51/924222651.db2.gz UTQDFBPAVHXMDA-GOSISDBHSA-N -1 3 397.450 3.766 20 30 GHEDHM C#CC[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000750778432 927844483 /nfs/dbraw/zinc/84/44/83/927844483.db2.gz OQWRNTFAWVKAAZ-LJQANCHMSA-N -1 3 387.432 3.585 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nc2ccccc2s1 ZINC000751104945 928031614 /nfs/dbraw/zinc/03/16/14/928031614.db2.gz KPPBFTZTARYPFK-JTQLQIEISA-N -1 3 377.878 3.861 20 30 GHEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccc(OC)cc1 ZINC000412981743 928067253 /nfs/dbraw/zinc/06/72/53/928067253.db2.gz GPLVJNQPSYYLRV-UHFFFAOYSA-N -1 3 395.488 3.805 20 30 GHEDHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000469816161 930179929 /nfs/dbraw/zinc/17/99/29/930179929.db2.gz LPWKSXJKCNFKCC-UHFFFAOYSA-N -1 3 398.825 3.625 20 30 GHEDHM Fc1c(Cl)cccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000759648509 930438920 /nfs/dbraw/zinc/43/89/20/930438920.db2.gz MKAHYILDIJRPHW-CQSZACIVSA-N -1 3 390.827 3.754 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)nc1 ZINC000781764191 930967955 /nfs/dbraw/zinc/96/79/55/930967955.db2.gz LFHNLSRCFBYMAQ-KRWDZBQOSA-N -1 3 393.443 3.763 20 30 GHEDHM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796744114 932050348 /nfs/dbraw/zinc/05/03/48/932050348.db2.gz DAMMVSGOQJRYMW-ZBFHGGJFSA-N -1 3 383.473 3.615 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn(C2CCC2)c1 ZINC001122547481 934896660 /nfs/dbraw/zinc/89/66/60/934896660.db2.gz SWMGACDGCMMUEM-HNNXBMFYSA-N -1 3 377.231 3.876 20 30 GHEDHM C#CC1(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCCC1 ZINC001573279599 946643407 /nfs/dbraw/zinc/64/34/07/946643407.db2.gz JRGQASQICRBPBN-UHFFFAOYSA-N -1 3 389.484 3.694 20 30 GHEDHM C#CC1(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCCC1 ZINC001573279599 946643414 /nfs/dbraw/zinc/64/34/14/946643414.db2.gz JRGQASQICRBPBN-UHFFFAOYSA-N -1 3 389.484 3.694 20 30 GHEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)C[C@@H](C)CCC ZINC001573293896 946970021 /nfs/dbraw/zinc/97/00/21/946970021.db2.gz NNKQOGLSVTUFGQ-HNNXBMFYSA-N -1 3 380.500 3.574 20 30 GHEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)C[C@@H](C)CCC ZINC001573293896 946970028 /nfs/dbraw/zinc/97/00/28/946970028.db2.gz NNKQOGLSVTUFGQ-HNNXBMFYSA-N -1 3 380.500 3.574 20 30 GHEDHM C=CC(C)(C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001573306339 947172709 /nfs/dbraw/zinc/17/27/09/947172709.db2.gz KEURWUCDPSNSDO-UHFFFAOYSA-N -1 3 377.448 3.991 20 30 GHEDHM C=CC(C)(C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001573306339 947172715 /nfs/dbraw/zinc/17/27/15/947172715.db2.gz KEURWUCDPSNSDO-UHFFFAOYSA-N -1 3 377.448 3.991 20 30 GHEDHM C=CCC1(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)c2C)CCC1 ZINC001573329396 947420760 /nfs/dbraw/zinc/42/07/60/947420760.db2.gz IXDTVOKBIPILJI-UHFFFAOYSA-N -1 3 376.258 3.623 20 30 GHEDHM C=CCC1(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)c2C)CCC1 ZINC001573329396 947420762 /nfs/dbraw/zinc/42/07/62/947420762.db2.gz IXDTVOKBIPILJI-UHFFFAOYSA-N -1 3 376.258 3.623 20 30 GHEDHM C=CCCCCCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1CC1 ZINC001573335193 947474421 /nfs/dbraw/zinc/47/44/21/947474421.db2.gz ODFWHXXYCFILCC-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C=CCCCCCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1CC1 ZINC001573335193 947474431 /nfs/dbraw/zinc/47/44/31/947474431.db2.gz ODFWHXXYCFILCC-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC001594568847 986374645 /nfs/dbraw/zinc/37/46/45/986374645.db2.gz KTWLJWXSSHOKPM-KRWDZBQOSA-N -1 3 375.472 3.651 20 30 GHEDHM Cc1ccc(CS(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)cc1F ZINC000468936508 1016245666 /nfs/dbraw/zinc/24/56/66/1016245666.db2.gz MICYXHUQGBZDGR-MRXNPFEDSA-N -1 3 386.370 3.837 20 30 GHEDHM Cc1ccc2ncc([O-])c(C(=O)N3CCC[C@H](Oc4ccc(C#N)cc4)C3)c2c1 ZINC001154531315 1032167093 /nfs/dbraw/zinc/16/70/93/1032167093.db2.gz DLZQPWADKVYOBN-SFHVURJKSA-N -1 3 387.439 3.804 20 30 GHEDHM O=C(Nc1ccc2nc(O[C@H]3C=CC(=O)C3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC001227352172 1032384705 /nfs/dbraw/zinc/38/47/05/1032384705.db2.gz DMWKNJXFAZQLIL-KRWDZBQOSA-N -1 3 399.406 3.950 20 30 GHEDHM O=C(Nc1ccc2nc(O[C@@H]3C=CC(=O)C3)[nH]c2c1)c1cc2ccccc2cc1[O-] ZINC001227352173 1032384956 /nfs/dbraw/zinc/38/49/56/1032384956.db2.gz DMWKNJXFAZQLIL-QGZVFWFLSA-N -1 3 399.406 3.950 20 30 GHEDHM COc1ccc2ncc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)nc2c1 ZINC001155909711 1032786068 /nfs/dbraw/zinc/78/60/68/1032786068.db2.gz XMNHFNNVOSASNM-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(NC(=O)OC(C)(C)C)cn2)c1 ZINC000835062619 1021839180 /nfs/dbraw/zinc/83/91/80/1021839180.db2.gz DVSHBYFMPJFOGK-MRXNPFEDSA-N -1 3 394.431 3.698 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)C)n1 ZINC000835063554 1021841089 /nfs/dbraw/zinc/84/10/89/1021841089.db2.gz MCMHCPXSQQXIMG-CYBMUJFWSA-N -1 3 388.855 3.704 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc(Cl)c(C)c2C1 ZINC000830881430 1024215602 /nfs/dbraw/zinc/21/56/02/1024215602.db2.gz FIWWDXOHYIAEIE-UHFFFAOYSA-N -1 3 383.879 3.755 20 30 GHEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1S(=O)(=O)C1CCCC1 ZINC000840704854 1027746922 /nfs/dbraw/zinc/74/69/22/1027746922.db2.gz CHLXYMWGTRJKRI-UHFFFAOYSA-N -1 3 375.446 3.579 20 30 GHEDHM C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142111783 1028142865 /nfs/dbraw/zinc/14/28/65/1028142865.db2.gz YKNRWKBQAMBMFQ-QGZVFWFLSA-N -1 3 382.291 3.735 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1 ZINC000842684471 1029489740 /nfs/dbraw/zinc/48/97/40/1029489740.db2.gz LHLCICPOZWHQKR-HNNXBMFYSA-N -1 3 399.834 3.651 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1c(Cl)ccc2cc(Cl)cnc21 ZINC001153483146 1031612474 /nfs/dbraw/zinc/61/24/74/1031612474.db2.gz RCTXATXDSGTWKL-UHFFFAOYSA-N -1 3 375.215 3.981 20 30 GHEDHM C=CCC[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC001157222865 1033479351 /nfs/dbraw/zinc/47/93/51/1033479351.db2.gz QANKOWZFGZQBIY-NUJGCVRESA-N -1 3 381.476 3.617 20 30 GHEDHM COC(=O)c1cc2c(OC)[n-]c(N[C@@](C)(C#N)c3ccccc3Cl)cc-2n1 ZINC001158476820 1034098756 /nfs/dbraw/zinc/09/87/56/1034098756.db2.gz BKLCCLUIBSNENT-IBGZPJMESA-N -1 3 384.823 3.862 20 30 GHEDHM N#Cc1cccc(N2C[C@]3(CCN(Cc4ccc(Cl)c([O-])c4)C3)CC2=O)c1 ZINC001231738696 1034872474 /nfs/dbraw/zinc/87/24/74/1034872474.db2.gz SPQZAANGMGFJSI-OAQYLSRUSA-N -1 3 381.863 3.546 20 30 GHEDHM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161784991 1035301557 /nfs/dbraw/zinc/30/15/57/1035301557.db2.gz PRVQZYHSTMJHCJ-FZMZJTMJSA-N -1 3 389.279 3.872 20 30 GHEDHM O=C([C@@H]1C[C@@]12C(=O)Nc1ccccc12)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785476 1035301621 /nfs/dbraw/zinc/30/16/21/1035301621.db2.gz XHMAFSUWOMYLIJ-KSSFIOAISA-N -1 3 377.227 3.621 20 30 GHEDHM O=C(CCNC(=O)c1ccc(F)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785437 1035301809 /nfs/dbraw/zinc/30/18/09/1035301809.db2.gz VOEBJIPIGJWURM-UHFFFAOYSA-N -1 3 385.222 3.670 20 30 GHEDHM CCc1c2ccccc2oc1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802275 1035305272 /nfs/dbraw/zinc/30/52/72/1035305272.db2.gz PHMIDKVOODMHTI-UHFFFAOYSA-N -1 3 392.411 3.513 20 30 GHEDHM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CO1 ZINC001161819807 1035308444 /nfs/dbraw/zinc/30/84/44/1035308444.db2.gz WMXFPSQSHDUJBY-RBUKOAKNSA-N -1 3 391.508 3.754 20 30 GHEDHM COc1cc(N2CCN(C)CC2)ccc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001244160563 1036406147 /nfs/dbraw/zinc/40/61/47/1036406147.db2.gz HFXBAIOGFNNDMX-ZMOGYAJESA-N -1 3 393.409 3.941 20 30 GHEDHM N#Cc1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c([O-])c1 ZINC001233387817 1039212017 /nfs/dbraw/zinc/21/20/17/1039212017.db2.gz ZQXDXRGAFJFEPV-UHFFFAOYSA-N -1 3 375.394 3.600 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3c(F)ccc([O-])c3F)C2)CC1 ZINC001233393373 1039224901 /nfs/dbraw/zinc/22/49/01/1039224901.db2.gz RBJWVRICKJDXFT-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277992692 1041800611 /nfs/dbraw/zinc/80/06/11/1041800611.db2.gz MBCRSVSMRWHKEN-HUUCEWRRSA-N -1 3 382.291 3.568 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2C(F)(F)F)c(Cl)c1 ZINC001259114919 1044968806 /nfs/dbraw/zinc/96/88/06/1044968806.db2.gz KROSEQPGPUHJHS-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2OC(F)(F)F)c1 ZINC001259124474 1044971331 /nfs/dbraw/zinc/97/13/31/1044971331.db2.gz MYQLRZUAOOJJMY-UHFFFAOYSA-N -1 3 376.743 3.911 20 30 GHEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC001259703027 1045270135 /nfs/dbraw/zinc/27/01/35/1045270135.db2.gz OZTIEMPCFMVVBA-INIZCTEOSA-N -1 3 397.500 3.875 20 30 GHEDHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)cc1 ZINC001463055470 1070761148 /nfs/dbraw/zinc/76/11/48/1070761148.db2.gz KRHHIGDZIRIRAD-GFCCVEGCSA-N -1 3 391.474 3.618 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2ccc(C3=S=CC=C3)o2)c(C#N)c1C ZINC001264026208 1047218990 /nfs/dbraw/zinc/21/89/90/1047218990.db2.gz OTJZXTNPRDRNSO-UHFFFAOYSA-N -1 3 386.454 3.576 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001306895363 1048948691 /nfs/dbraw/zinc/94/86/91/1048948691.db2.gz ZJJNKJFSXPLIIQ-IQUTYRLHSA-N -1 3 380.872 3.751 20 30 GHEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001309826335 1050992204 /nfs/dbraw/zinc/99/22/04/1050992204.db2.gz XFKYHSJFEVTRDJ-UHFFFAOYSA-N -1 3 394.306 3.868 20 30 GHEDHM C=CCC[C@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001337489388 1052485326 /nfs/dbraw/zinc/48/53/26/1052485326.db2.gz WLCJBMBFOVMIMS-ZDUSSCGKSA-N -1 3 375.266 3.861 20 30 GHEDHM N#Cc1ccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)s1 ZINC001322321831 1056627230 /nfs/dbraw/zinc/62/72/30/1056627230.db2.gz AHFITKPPSOESPZ-UHFFFAOYSA-N -1 3 382.470 3.506 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@](C)(OC)CC1 ZINC001338791112 1058788373 /nfs/dbraw/zinc/78/83/73/1058788373.db2.gz ZHCVYGOYMWLPCV-HXUWFJFHSA-N -1 3 399.520 3.842 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001339068960 1058946988 /nfs/dbraw/zinc/94/69/88/1058946988.db2.gz LOAVRZOFWSBEEL-SFHVURJKSA-N -1 3 376.464 3.585 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001340267849 1059803910 /nfs/dbraw/zinc/80/39/10/1059803910.db2.gz IWKINCGZXRJRQM-HUUCEWRRSA-N -1 3 397.504 3.594 20 30 GHEDHM C=CCN(C(=O)c1cc(CC)ccc1[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC001447732134 1060013683 /nfs/dbraw/zinc/01/36/83/1060013683.db2.gz VQPXGLFBMWBUSG-FQEVSTJZSA-N -1 3 381.472 3.757 20 30 GHEDHM CSc1cccc(N2C[C@H](C(=O)N([O-])Cc3ccccc3Cl)CC2=O)c1 ZINC001458003591 1063501266 /nfs/dbraw/zinc/50/12/66/1063501266.db2.gz QIOIDZIHGVVSKZ-CQSZACIVSA-N -1 3 390.892 3.833 20 30 GHEDHM N#Cc1cc(F)c(C(=O)[N-]c2ncccc2C(=O)c2ccc(F)cc2)c(F)c1 ZINC001459895849 1064260785 /nfs/dbraw/zinc/26/07/85/1064260785.db2.gz SSPDFRHWRXAQPN-UHFFFAOYSA-N -1 3 381.313 3.854 20 30 GHEDHM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001469762823 1068369065 /nfs/dbraw/zinc/36/90/65/1068369065.db2.gz HGSWVVUYQGKWKI-UHFFFAOYSA-N -1 3 389.367 3.741 20 30 GHEDHM O=C([C@H](c1ccccc1)N1CCSCC1)N([O-])Cc1ccccc1Cl ZINC001472620365 1073581264 /nfs/dbraw/zinc/58/12/64/1073581264.db2.gz ZCYZTHZGAZJVFV-SFHVURJKSA-N -1 3 376.909 3.848 20 30 GHEDHM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001472623491 1073582517 /nfs/dbraw/zinc/58/25/17/1073582517.db2.gz ZBQUEWZSCMQZQE-INIZCTEOSA-N -1 3 378.444 3.723 20 30 GHEDHM N#Cc1cc(NC(=O)c2cccnc2Sc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737710037 598914247 /nfs/dbraw/zinc/91/42/47/598914247.db2.gz UNACVRWYYLNOAZ-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM N#Cc1cc(NC(=O)c2cccnc2Sc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737710037 598914249 /nfs/dbraw/zinc/91/42/49/598914249.db2.gz UNACVRWYYLNOAZ-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)ccc1-c1nnn[n-]1 ZINC000737710703 598915676 /nfs/dbraw/zinc/91/56/76/598915676.db2.gz ZVKZSGVLRUZKFJ-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)ccc1-c1nn[n-]n1 ZINC000737710703 598915678 /nfs/dbraw/zinc/91/56/78/598915678.db2.gz ZVKZSGVLRUZKFJ-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)cc1C#N ZINC000737719499 598917330 /nfs/dbraw/zinc/91/73/30/598917330.db2.gz QVKYJOYBBRFUDB-UHFFFAOYSA-N -1 3 391.394 3.529 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1C#N ZINC000737719499 598917332 /nfs/dbraw/zinc/91/73/32/598917332.db2.gz QVKYJOYBBRFUDB-UHFFFAOYSA-N -1 3 391.394 3.529 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737727761 598926579 /nfs/dbraw/zinc/92/65/79/598926579.db2.gz RTYHZZYUWGHTHT-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737727761 598926580 /nfs/dbraw/zinc/92/65/80/598926580.db2.gz RTYHZZYUWGHTHT-UHFFFAOYSA-N -1 3 397.394 3.537 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706793 598927053 /nfs/dbraw/zinc/92/70/53/598927053.db2.gz ZTFRXKWVGBNMHB-UONOGXRCSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706793 598927055 /nfs/dbraw/zinc/92/70/55/598927055.db2.gz ZTFRXKWVGBNMHB-UONOGXRCSA-N -1 3 399.241 3.787 20 30 GHEDHM O=C1C(=Cc2csc(Br)c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504484 599115198 /nfs/dbraw/zinc/11/51/98/599115198.db2.gz QTIDDXYHFQKYJX-VZUCSPMQSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2csc(Br)c2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504484 599115201 /nfs/dbraw/zinc/11/52/01/599115201.db2.gz QTIDDXYHFQKYJX-VZUCSPMQSA-N -1 3 387.262 3.903 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819758664 599152617 /nfs/dbraw/zinc/15/26/17/599152617.db2.gz DRJNZJUPVANGLR-UHFFFAOYSA-N -1 3 379.420 3.580 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819758664 599152619 /nfs/dbraw/zinc/15/26/19/599152619.db2.gz DRJNZJUPVANGLR-UHFFFAOYSA-N -1 3 379.420 3.580 20 30 GHEDHM Cn1nc(-c2ccccc2)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000737619531 599159045 /nfs/dbraw/zinc/15/90/45/599159045.db2.gz UQGAGEGZLGBHMG-VAWYXSNFSA-N -1 3 390.834 3.817 20 30 GHEDHM Cn1nc(-c2ccccc2)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000737619531 599159047 /nfs/dbraw/zinc/15/90/47/599159047.db2.gz UQGAGEGZLGBHMG-VAWYXSNFSA-N -1 3 390.834 3.817 20 30 GHEDHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736393329 599191073 /nfs/dbraw/zinc/19/10/73/599191073.db2.gz WWYSAIMZBOLORB-GOSISDBHSA-N -1 3 390.447 3.658 20 30 GHEDHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736393329 599191078 /nfs/dbraw/zinc/19/10/78/599191078.db2.gz WWYSAIMZBOLORB-GOSISDBHSA-N -1 3 390.447 3.658 20 30 GHEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735964105 599198882 /nfs/dbraw/zinc/19/88/82/599198882.db2.gz VKGDJJHBCAODKR-GFCCVEGCSA-N -1 3 396.838 3.687 20 30 GHEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735964105 599198884 /nfs/dbraw/zinc/19/88/84/599198884.db2.gz VKGDJJHBCAODKR-GFCCVEGCSA-N -1 3 396.838 3.687 20 30 GHEDHM CC(C)(C)C=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735595572 599218085 /nfs/dbraw/zinc/21/80/85/599218085.db2.gz GSWPMIBAJNIRDI-MYSGNRETSA-N -1 3 378.461 3.769 20 30 GHEDHM CC(C)(C)C=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735595572 599218087 /nfs/dbraw/zinc/21/80/87/599218087.db2.gz GSWPMIBAJNIRDI-MYSGNRETSA-N -1 3 378.461 3.769 20 30 GHEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@@H](Cc2ccccc2)c2ccccc2)nc1N ZINC000737706015 598569911 /nfs/dbraw/zinc/56/99/11/598569911.db2.gz UVSOLDNZOOTKIV-SFHVURJKSA-N -1 3 399.483 3.792 20 30 GHEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@@H](Cc2ccccc2)c2ccccc2)nc1N ZINC000737706015 598569912 /nfs/dbraw/zinc/56/99/12/598569912.db2.gz UVSOLDNZOOTKIV-SFHVURJKSA-N -1 3 399.483 3.792 20 30 GHEDHM CCCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000736493419 598638940 /nfs/dbraw/zinc/63/89/40/598638940.db2.gz URYUDRYWDDCXQA-KTKRTIGZSA-N -1 3 377.448 3.608 20 30 GHEDHM CCCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000736493419 598638942 /nfs/dbraw/zinc/63/89/42/598638942.db2.gz URYUDRYWDDCXQA-KTKRTIGZSA-N -1 3 377.448 3.608 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000737697599 598644805 /nfs/dbraw/zinc/64/48/05/598644805.db2.gz JOKNCRFNPFJQBH-UHFFFAOYSA-N -1 3 397.394 3.944 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000737697599 598644808 /nfs/dbraw/zinc/64/48/08/598644808.db2.gz JOKNCRFNPFJQBH-UHFFFAOYSA-N -1 3 397.394 3.944 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CSc1ccccc1 ZINC000735418346 598655506 /nfs/dbraw/zinc/65/55/06/598655506.db2.gz BFGPWIUZNKXQJV-MRXNPFEDSA-N -1 3 393.516 3.810 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CSc1ccccc1 ZINC000735418346 598655508 /nfs/dbraw/zinc/65/55/08/598655508.db2.gz BFGPWIUZNKXQJV-MRXNPFEDSA-N -1 3 393.516 3.810 20 30 GHEDHM N#CCCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000737688020 598690448 /nfs/dbraw/zinc/69/04/48/598690448.db2.gz YGKGLHUOWWRIPH-UHFFFAOYSA-N -1 3 398.879 3.559 20 30 GHEDHM N#CCCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000737688020 598690450 /nfs/dbraw/zinc/69/04/50/598690450.db2.gz YGKGLHUOWWRIPH-UHFFFAOYSA-N -1 3 398.879 3.559 20 30 GHEDHM COc1ccc(CCC(C)=NOCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737085786 598698674 /nfs/dbraw/zinc/69/86/74/598698674.db2.gz BCRVLYWIFCKLBQ-UHFFFAOYSA-N -1 3 395.463 3.670 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000819759208 599343563 /nfs/dbraw/zinc/34/35/63/599343563.db2.gz QCFUVJOFIBADIP-UHFFFAOYSA-N -1 3 383.502 3.876 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000819759208 599343565 /nfs/dbraw/zinc/34/35/65/599343565.db2.gz QCFUVJOFIBADIP-UHFFFAOYSA-N -1 3 383.502 3.876 20 30 GHEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000736359481 599884286 /nfs/dbraw/zinc/88/42/86/599884286.db2.gz DSCQJOXZGUIPNA-JOYOIKCWSA-N -1 3 385.367 3.784 20 30 GHEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000736360626 599884896 /nfs/dbraw/zinc/88/48/96/599884896.db2.gz QXAVXXUCVVFBTP-LKFCYVNXSA-N -1 3 379.388 3.557 20 30 GHEDHM COc1cc(CN2CCC(CC(=O)[O-])CC2)ccc1OCc1cccc(C#N)c1 ZINC000737880576 600260719 /nfs/dbraw/zinc/26/07/19/600260719.db2.gz HFOMNKRNTBFISM-UHFFFAOYSA-N -1 3 394.471 3.833 20 30 GHEDHM N#Cc1ccc([C@H](NCc2cccc(NC(=O)C3CCCCC3)c2)C(=O)[O-])cc1 ZINC000739108930 600596905 /nfs/dbraw/zinc/59/69/05/600596905.db2.gz YNAXSQBRRFQNNJ-NRFANRHFSA-N -1 3 391.471 3.993 20 30 GHEDHM C=CCC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000823894518 607459901 /nfs/dbraw/zinc/45/99/01/607459901.db2.gz RZNRHNVUBOHXLL-LJQANCHMSA-N -1 3 388.475 3.863 20 30 GHEDHM C=CCC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000823894518 607459903 /nfs/dbraw/zinc/45/99/03/607459903.db2.gz RZNRHNVUBOHXLL-LJQANCHMSA-N -1 3 388.475 3.863 20 30 GHEDHM Cc1cccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC000832971911 601656100 /nfs/dbraw/zinc/65/61/00/601656100.db2.gz ZOGKQNUFOBQPHR-AVRDEDQJSA-N -1 3 393.487 3.602 20 30 GHEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820016922 606250657 /nfs/dbraw/zinc/25/06/57/606250657.db2.gz QSLMOAOBKMSBLD-HXUWFJFHSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820016922 606250659 /nfs/dbraw/zinc/25/06/59/606250659.db2.gz QSLMOAOBKMSBLD-HXUWFJFHSA-N -1 3 392.488 3.686 20 30 GHEDHM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822819482 606496179 /nfs/dbraw/zinc/49/61/79/606496179.db2.gz TXQZBAYFSJHLNA-UHFFFAOYSA-N -1 3 378.442 3.781 20 30 GHEDHM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822819482 606496181 /nfs/dbraw/zinc/49/61/81/606496181.db2.gz TXQZBAYFSJHLNA-UHFFFAOYSA-N -1 3 378.442 3.781 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)s1 ZINC000822823273 606515290 /nfs/dbraw/zinc/51/52/90/606515290.db2.gz OIHFRGVSBPJRJV-UHFFFAOYSA-N -1 3 384.490 3.773 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)s1 ZINC000822823273 606515291 /nfs/dbraw/zinc/51/52/91/606515291.db2.gz OIHFRGVSBPJRJV-UHFFFAOYSA-N -1 3 384.490 3.773 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000822823461 606536689 /nfs/dbraw/zinc/53/66/89/606536689.db2.gz RFKFFNWUHUUFBV-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000822823461 606536691 /nfs/dbraw/zinc/53/66/91/606536691.db2.gz RFKFFNWUHUUFBV-UHFFFAOYSA-N -1 3 388.412 3.844 20 30 GHEDHM N#Cc1ccccc1-c1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822837854 606562961 /nfs/dbraw/zinc/56/29/61/606562961.db2.gz VOOWZYHVGLZKDZ-UHFFFAOYSA-N -1 3 387.424 3.824 20 30 GHEDHM N#Cc1ccccc1-c1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822837854 606562963 /nfs/dbraw/zinc/56/29/63/606562963.db2.gz VOOWZYHVGLZKDZ-UHFFFAOYSA-N -1 3 387.424 3.824 20 30 GHEDHM C[C@@H]1CCC(=CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820674918 606626445 /nfs/dbraw/zinc/62/64/45/606626445.db2.gz HHMHWOJGMMGAHK-NGOVVIEOSA-N -1 3 390.472 3.913 20 30 GHEDHM C[C@@H]1CCC(=CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820674918 606626447 /nfs/dbraw/zinc/62/64/47/606626447.db2.gz HHMHWOJGMMGAHK-NGOVVIEOSA-N -1 3 390.472 3.913 20 30 GHEDHM C#CCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819693550 606953823 /nfs/dbraw/zinc/95/38/23/606953823.db2.gz UAZDKBNIYXALHB-UHFFFAOYSA-N -1 3 376.420 3.584 20 30 GHEDHM C#CCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819693550 606953825 /nfs/dbraw/zinc/95/38/25/606953825.db2.gz UAZDKBNIYXALHB-UHFFFAOYSA-N -1 3 376.420 3.584 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccc(C)cc1 ZINC000819766428 607015028 /nfs/dbraw/zinc/01/50/28/607015028.db2.gz YJJFUBAOHINVQX-UHFFFAOYSA-N -1 3 389.488 3.912 20 30 GHEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccc(C)cc1 ZINC000819766428 607015030 /nfs/dbraw/zinc/01/50/30/607015030.db2.gz YJJFUBAOHINVQX-UHFFFAOYSA-N -1 3 389.488 3.912 20 30 GHEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822837200 607241919 /nfs/dbraw/zinc/24/19/19/607241919.db2.gz JCWGDVROODBZMV-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822837200 607241920 /nfs/dbraw/zinc/24/19/20/607241920.db2.gz JCWGDVROODBZMV-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM C=C(C)[C@H](CC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)OCC ZINC000823874854 607923893 /nfs/dbraw/zinc/92/38/93/607923893.db2.gz ZRKCDSMQOCUFBK-IBGZPJMESA-N -1 3 394.431 3.936 20 30 GHEDHM C=C(C)[C@H](CC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)OCC ZINC000823874854 607923894 /nfs/dbraw/zinc/92/38/94/607923894.db2.gz ZRKCDSMQOCUFBK-IBGZPJMESA-N -1 3 394.431 3.936 20 30 GHEDHM C=C[C@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883745 607964574 /nfs/dbraw/zinc/96/45/74/607964574.db2.gz ZIHOHYVJRBUPBJ-MRXNPFEDSA-N -1 3 393.516 3.576 20 30 GHEDHM C=C[C@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883745 607964575 /nfs/dbraw/zinc/96/45/75/607964575.db2.gz ZIHOHYVJRBUPBJ-MRXNPFEDSA-N -1 3 393.516 3.576 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)cc1 ZINC000826382400 608004203 /nfs/dbraw/zinc/00/42/03/608004203.db2.gz CWEFPBSWILRIQO-UHFFFAOYSA-N -1 3 392.488 3.906 20 30 GHEDHM N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)cc1 ZINC000826382400 608004204 /nfs/dbraw/zinc/00/42/04/608004204.db2.gz CWEFPBSWILRIQO-UHFFFAOYSA-N -1 3 392.488 3.906 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C#N)s1 ZINC000823958099 608094805 /nfs/dbraw/zinc/09/48/05/608094805.db2.gz BUJGMKJMZLSTGP-UHFFFAOYSA-N -1 3 377.355 3.655 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C#N)s1 ZINC000823958099 608094806 /nfs/dbraw/zinc/09/48/06/608094806.db2.gz BUJGMKJMZLSTGP-UHFFFAOYSA-N -1 3 377.355 3.655 20 30 GHEDHM Cc1nc(-c2nnn[n-]2)c(NN=C(CC(F)(F)F)c2ccc(Cl)cc2)o1 ZINC000826323263 608110491 /nfs/dbraw/zinc/11/04/91/608110491.db2.gz XNRXWNXZBCSLND-UHFFFAOYSA-N -1 3 385.737 3.585 20 30 GHEDHM Cc1nc(-c2nn[n-]n2)c(NN=C(CC(F)(F)F)c2ccc(Cl)cc2)o1 ZINC000826323263 608110492 /nfs/dbraw/zinc/11/04/92/608110492.db2.gz XNRXWNXZBCSLND-UHFFFAOYSA-N -1 3 385.737 3.585 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1cccc(Cl)c1Cl ZINC000826172913 608323779 /nfs/dbraw/zinc/32/37/79/608323779.db2.gz DEFOISPTQMDPEL-UHFFFAOYSA-N -1 3 378.219 3.733 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1cccc(Cl)c1Cl ZINC000826172913 608323781 /nfs/dbraw/zinc/32/37/81/608323781.db2.gz DEFOISPTQMDPEL-UHFFFAOYSA-N -1 3 378.219 3.733 20 30 GHEDHM C#Cc1cccc(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000823861458 608336706 /nfs/dbraw/zinc/33/67/06/608336706.db2.gz JHAPSUCZXDFTPQ-UHFFFAOYSA-N -1 3 394.438 3.837 20 30 GHEDHM C#Cc1cccc(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000823861458 608336707 /nfs/dbraw/zinc/33/67/07/608336707.db2.gz JHAPSUCZXDFTPQ-UHFFFAOYSA-N -1 3 394.438 3.837 20 30 GHEDHM CC(C)CN(CCC#N)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824255680 608497629 /nfs/dbraw/zinc/49/76/29/608497629.db2.gz SSGHBLGYDOIAOT-UHFFFAOYSA-N -1 3 390.491 3.817 20 30 GHEDHM C=CCC[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000823894801 608537686 /nfs/dbraw/zinc/53/76/86/608537686.db2.gz XIBDTWOMZPBSPZ-GOSISDBHSA-N -1 3 387.447 3.714 20 30 GHEDHM C=CCC[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000823894801 608537688 /nfs/dbraw/zinc/53/76/88/608537688.db2.gz XIBDTWOMZPBSPZ-GOSISDBHSA-N -1 3 387.447 3.714 20 30 GHEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826381673 609272557 /nfs/dbraw/zinc/27/25/57/609272557.db2.gz UPIYOWGSVOOZQC-RMKNXTFCSA-N -1 3 377.379 3.584 20 30 GHEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826381673 609272559 /nfs/dbraw/zinc/27/25/59/609272559.db2.gz UPIYOWGSVOOZQC-RMKNXTFCSA-N -1 3 377.379 3.584 20 30 GHEDHM COc1cc(-c2ccccc2)ccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826166792 609277477 /nfs/dbraw/zinc/27/74/77/609277477.db2.gz BANWJMSSSRJBTI-UHFFFAOYSA-N -1 3 384.443 3.666 20 30 GHEDHM COc1cc(-c2ccccc2)ccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826166792 609277479 /nfs/dbraw/zinc/27/74/79/609277479.db2.gz BANWJMSSSRJBTI-UHFFFAOYSA-N -1 3 384.443 3.666 20 30 GHEDHM Cc1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000826257202 609307825 /nfs/dbraw/zinc/30/78/25/609307825.db2.gz RYOQHMLXIMZNMA-CMDGGOBGSA-N -1 3 390.472 3.842 20 30 GHEDHM Cc1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826257202 609307827 /nfs/dbraw/zinc/30/78/27/609307827.db2.gz RYOQHMLXIMZNMA-CMDGGOBGSA-N -1 3 390.472 3.842 20 30 GHEDHM N#Cc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)c(Br)c1 ZINC000826385146 609308684 /nfs/dbraw/zinc/30/86/84/609308684.db2.gz ZHIYYDUYXQXAHK-UHFFFAOYSA-N -1 3 390.628 3.733 20 30 GHEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)c(Br)c1 ZINC000826385146 609308686 /nfs/dbraw/zinc/30/86/86/609308686.db2.gz ZHIYYDUYXQXAHK-UHFFFAOYSA-N -1 3 390.628 3.733 20 30 GHEDHM N#Cc1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000826384263 609451088 /nfs/dbraw/zinc/45/10/88/609451088.db2.gz NTRMNIHFPSTYKI-UHFFFAOYSA-N -1 3 389.362 3.732 20 30 GHEDHM N#Cc1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000826384263 609451089 /nfs/dbraw/zinc/45/10/89/609451089.db2.gz NTRMNIHFPSTYKI-UHFFFAOYSA-N -1 3 389.362 3.732 20 30 GHEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823904097 609452053 /nfs/dbraw/zinc/45/20/53/609452053.db2.gz UUGNELJTSAGXLA-LLVKDONJSA-N -1 3 397.426 3.567 20 30 GHEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823904097 609452056 /nfs/dbraw/zinc/45/20/56/609452056.db2.gz UUGNELJTSAGXLA-LLVKDONJSA-N -1 3 397.426 3.567 20 30 GHEDHM CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000023346092 834348066 /nfs/dbraw/zinc/34/80/66/834348066.db2.gz QWFHMVDYKNOJOZ-UHFFFAOYSA-N -1 3 397.456 3.732 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000171211148 834870068 /nfs/dbraw/zinc/87/00/68/834870068.db2.gz QWFSIGIJLUXWIC-LJQANCHMSA-N -1 3 380.444 3.590 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)sc1Br ZINC000582316048 836277813 /nfs/dbraw/zinc/27/78/13/836277813.db2.gz VHSDRWJKPLXLPJ-UHFFFAOYSA-N -1 3 397.319 3.658 20 30 GHEDHM COCCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000472494557 837169396 /nfs/dbraw/zinc/16/93/96/837169396.db2.gz FGCFQXSIRFPHRS-OAHLLOKOSA-N -1 3 382.441 3.820 20 30 GHEDHM N#CC(=C([O-])c1cccc(COC2CCOCC2)c1)c1cnc2ccccc2n1 ZINC000580868444 840357489 /nfs/dbraw/zinc/35/74/89/840357489.db2.gz HUDFIHXJBSEMHR-LJQANCHMSA-N -1 3 387.439 3.815 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000330166317 841744063 /nfs/dbraw/zinc/74/40/63/841744063.db2.gz XUDFRJZEMMPDSP-CQSZACIVSA-N -1 3 379.386 3.780 20 30 GHEDHM C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000021007254 842764004 /nfs/dbraw/zinc/76/40/04/842764004.db2.gz AZTMTXSJKZALTI-UHFFFAOYSA-N -1 3 376.453 3.665 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000279605813 843164213 /nfs/dbraw/zinc/16/42/13/843164213.db2.gz QEKVXTOQFIJYBG-UHFFFAOYSA-N -1 3 397.319 3.552 20 30 GHEDHM N#CC(=C([O-])c1cccn1C1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000181407736 844980163 /nfs/dbraw/zinc/98/01/63/844980163.db2.gz PAEUYYSNGFLGOH-MRXNPFEDSA-N -1 3 387.447 3.604 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1 ZINC000046462765 845332180 /nfs/dbraw/zinc/33/21/80/845332180.db2.gz HZFAVGIQNPEYSN-UHFFFAOYSA-N -1 3 391.452 3.920 20 30 GHEDHM O=C(COCC(F)(F)F)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000272386566 847066861 /nfs/dbraw/zinc/06/68/61/847066861.db2.gz ILOIUWRWDOWUOZ-SNVBAGLBSA-N -1 3 381.219 3.587 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000664293006 847289354 /nfs/dbraw/zinc/28/93/54/847289354.db2.gz SGPJXKVZONKVIQ-GOEBONIOSA-N -1 3 395.525 3.713 20 30 GHEDHM COC(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000016936571 847784602 /nfs/dbraw/zinc/78/46/02/847784602.db2.gz YFPAJYLPOVEXIQ-FPQGOQEYSA-N -1 3 377.824 3.786 20 30 GHEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503779775 847939318 /nfs/dbraw/zinc/93/93/18/847939318.db2.gz XPGGTPLYWIAMOQ-JTQLQIEISA-N -1 3 380.279 3.620 20 30 GHEDHM CC[C@@H](C)c1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000017222647 849958422 /nfs/dbraw/zinc/95/84/22/849958422.db2.gz QWVPJJPMSYLKIE-CQSZACIVSA-N -1 3 394.471 3.736 20 30 GHEDHM C[C@@H](C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)N(C)CC(F)(F)F ZINC000504298911 850004282 /nfs/dbraw/zinc/00/42/82/850004282.db2.gz QKWHRGPVBRQGQS-WRWORJQWSA-N -1 3 378.263 3.567 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000486836548 850161924 /nfs/dbraw/zinc/16/19/24/850161924.db2.gz ZAVYGFYLMYTWPU-ZETCQYMHSA-N -1 3 395.815 3.726 20 30 GHEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc([O-])ccc3Cl)ccc21 ZINC000505414917 851047729 /nfs/dbraw/zinc/04/77/29/851047729.db2.gz MIBGVEQQGPMRIH-UHFFFAOYSA-N -1 3 383.835 3.881 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cccc(C)c2C)CCCC1 ZINC000329720611 862233587 /nfs/dbraw/zinc/23/35/87/862233587.db2.gz DQVJWKOBQPXOTR-UHFFFAOYSA-N -1 3 391.493 3.788 20 30 GHEDHM COc1ccccc1N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000129387235 852032277 /nfs/dbraw/zinc/03/22/77/852032277.db2.gz JBPSVZGMPQJXOW-BBJIBYMTSA-N -1 3 375.266 3.861 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436843150 852407876 /nfs/dbraw/zinc/40/78/76/852407876.db2.gz GTRZCQGNRJELJP-UHFFFAOYSA-N -1 3 397.478 3.889 20 30 GHEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000489511243 852420251 /nfs/dbraw/zinc/42/02/51/852420251.db2.gz ISTSURXRCZCAGW-NSHDSACASA-N -1 3 393.387 3.602 20 30 GHEDHM COC(=O)C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000732770242 862484786 /nfs/dbraw/zinc/48/47/86/862484786.db2.gz YFPAJYLPOVEXIQ-SYZMQFJCSA-N -1 3 377.824 3.786 20 30 GHEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000589588945 855073670 /nfs/dbraw/zinc/07/36/70/855073670.db2.gz PVCADASTKWHTCW-YGRLFVJLSA-N -1 3 391.718 3.853 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2CC[C@@H]1C(C)C ZINC000133810153 862710381 /nfs/dbraw/zinc/71/03/81/862710381.db2.gz OXOQPFQBDASIGE-HXUWFJFHSA-N -1 3 377.488 3.800 20 30 GHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000485410413 856471494 /nfs/dbraw/zinc/47/14/94/856471494.db2.gz GSKNHJVVCOULBU-UHFFFAOYSA-N -1 3 394.318 3.751 20 30 GHEDHM CSc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2ccccn12 ZINC000442615326 857982869 /nfs/dbraw/zinc/98/28/69/857982869.db2.gz BAXRAWGDJRAQDT-LLVKDONJSA-N -1 3 376.363 3.960 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(NC(C)=O)c1OC ZINC000442605817 857993824 /nfs/dbraw/zinc/99/38/24/857993824.db2.gz MSXSCDSRJGURGC-CYBMUJFWSA-N -1 3 395.440 3.762 20 30 GHEDHM CC[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000183830910 858826511 /nfs/dbraw/zinc/82/65/11/858826511.db2.gz MHABMDGYFNXIFI-MRXNPFEDSA-N -1 3 385.489 3.526 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC000601874883 859598929 /nfs/dbraw/zinc/59/89/29/859598929.db2.gz QGIBPTXOTHNPHK-JCNLHEQBSA-N -1 3 381.501 3.648 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc(C(C)C)cc2C1 ZINC000597963878 859974161 /nfs/dbraw/zinc/97/41/61/859974161.db2.gz QXEXHMJNZRGQTJ-UHFFFAOYSA-N -1 3 377.488 3.917 20 30 GHEDHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000603665380 861018021 /nfs/dbraw/zinc/01/80/21/861018021.db2.gz LUDCSPRNCVXXHM-UHFFFAOYSA-N -1 3 392.459 3.504 20 30 GHEDHM O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)cc2n[n-]nc21 ZINC000669695263 861075826 /nfs/dbraw/zinc/07/58/26/861075826.db2.gz PDJMFAVXURISNH-BQBZGAKWSA-N -1 3 398.282 3.736 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Oc3ccccc3)nc2)c1 ZINC000733678735 863106936 /nfs/dbraw/zinc/10/69/36/863106936.db2.gz HUYHYOQGKWMCAO-IBGZPJMESA-N -1 3 387.395 3.844 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(=O)[n-]1 ZINC000186268480 864576666 /nfs/dbraw/zinc/57/66/66/864576666.db2.gz YPSBDRFPKDCBDL-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)cc1 ZINC000173968694 865263592 /nfs/dbraw/zinc/26/35/92/865263592.db2.gz YFJOOWMXXPYXPW-HNNXBMFYSA-N -1 3 391.349 3.546 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737721835 865423532 /nfs/dbraw/zinc/42/35/32/865423532.db2.gz OODQMTSCXFQUHC-UHFFFAOYSA-N -1 3 397.394 3.888 20 30 GHEDHM N#Cc1ccc(Oc2cccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737721835 865423540 /nfs/dbraw/zinc/42/35/40/865423540.db2.gz OODQMTSCXFQUHC-UHFFFAOYSA-N -1 3 397.394 3.888 20 30 GHEDHM COC(OC)c1c(C#N)ccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527432 865739377 /nfs/dbraw/zinc/73/93/77/865739377.db2.gz HZLNNPQRAOEGKP-UHFFFAOYSA-N -1 3 384.823 3.764 20 30 GHEDHM C=CCCOC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000740176181 865851678 /nfs/dbraw/zinc/85/16/78/865851678.db2.gz NFUIXCXUHMTIBY-UHFFFAOYSA-N -1 3 380.293 3.661 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C)n1-c1ccn(C)n1 ZINC000857029633 881944091 /nfs/dbraw/zinc/94/40/91/881944091.db2.gz OYKRDEQAESZQOA-HNNXBMFYSA-N -1 3 387.365 3.732 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)cc2)cc1 ZINC000609068927 867331704 /nfs/dbraw/zinc/33/17/04/867331704.db2.gz ZREPFWJKRUTVCF-UHFFFAOYSA-N -1 3 394.452 3.947 20 30 GHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)c1 ZINC000445196964 867938088 /nfs/dbraw/zinc/93/80/88/867938088.db2.gz SLTKCEIGKXKEFL-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)c1 ZINC000479515267 867939535 /nfs/dbraw/zinc/93/95/35/867939535.db2.gz IDDGJSKMZGRYSI-UHFFFAOYSA-N -1 3 384.244 3.624 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1cccc(C(F)(F)F)c1 ZINC000539947860 870057289 /nfs/dbraw/zinc/05/72/89/870057289.db2.gz ZHBWLFLLSAXXAU-OAHLLOKOSA-N -1 3 391.374 3.797 20 30 GHEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)C2CC2)cn1 ZINC001193281807 871002125 /nfs/dbraw/zinc/00/21/25/871002125.db2.gz FAGRQQKCNAKKKS-SFHVURJKSA-N -1 3 399.497 3.606 20 30 GHEDHM C=CCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC001193413597 871096432 /nfs/dbraw/zinc/09/64/32/871096432.db2.gz OSHJXSIZIQQXLZ-OAQYLSRUSA-N -1 3 399.462 3.896 20 30 GHEDHM COC(=O)c1cc([N+](=O)[O-])c([N-][C@@](C)(C#N)c2ccccc2Cl)cc1OC ZINC001169388053 871460726 /nfs/dbraw/zinc/46/07/26/871460726.db2.gz BTVQJHZHERCGEO-SFHVURJKSA-N -1 3 389.795 3.894 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447715216 872193882 /nfs/dbraw/zinc/19/38/82/872193882.db2.gz OZWTZKLYNCWVGX-KRWDZBQOSA-N -1 3 395.356 3.609 20 30 GHEDHM COc1cc2c(cc1N=Cc1cc(Br)ccc1[O-])NC(=O)CC2 ZINC000767339061 872409855 /nfs/dbraw/zinc/40/98/55/872409855.db2.gz SGUWHGQKDMEVAJ-UHFFFAOYSA-N -1 3 375.222 3.799 20 30 GHEDHM N#Cc1ccc(C2(NCc3cccc([O-])c3Br)CCOCC2)cc1 ZINC000527809620 873594618 /nfs/dbraw/zinc/59/46/18/873594618.db2.gz LDPAKLHEAPFKTB-UHFFFAOYSA-N -1 3 387.277 3.822 20 30 GHEDHM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1cc(C(F)(F)F)ccn1 ZINC000464466426 873906166 /nfs/dbraw/zinc/90/61/66/873906166.db2.gz IIYXAVWNTXCASH-LLVKDONJSA-N -1 3 377.347 3.635 20 30 GHEDHM CCCCOc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769807658 874300547 /nfs/dbraw/zinc/30/05/47/874300547.db2.gz PZXMFMBKJWUQJK-UHFFFAOYSA-N -1 3 382.468 3.912 20 30 GHEDHM CC(C)COc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769809444 874300591 /nfs/dbraw/zinc/30/05/91/874300591.db2.gz BDIPBYKGYHCUPY-UHFFFAOYSA-N -1 3 382.468 3.768 20 30 GHEDHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(=O)[n-]1 ZINC000542061515 874846198 /nfs/dbraw/zinc/84/61/98/874846198.db2.gz OMTVFDNNIHGGQZ-AWEZNQCLSA-N -1 3 386.455 3.758 20 30 GHEDHM C=CCSc1ncccc1C(=O)Nc1c(C)c([O-])c(C(=O)OCC)cc1C#N ZINC001199740165 875159331 /nfs/dbraw/zinc/15/93/31/875159331.db2.gz JGWZDWZUJMJNKY-UHFFFAOYSA-N -1 3 397.456 3.674 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2ccc(F)cc2F)c(C)c1[O-] ZINC001200933466 875404192 /nfs/dbraw/zinc/40/41/92/875404192.db2.gz UHDBCZOEESGVJD-UHFFFAOYSA-N -1 3 391.399 3.836 20 30 GHEDHM CCOC(=O)[C@H](CCOC(C)(C)C)/N=C/c1cc(Br)ccc1[O-] ZINC000776256082 876066551 /nfs/dbraw/zinc/06/65/51/876066551.db2.gz ALYVZVLPPIQTGN-YRIIZNAFSA-N -1 3 386.286 3.711 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H](OC(=O)c3cc4sccc4c([O-])c3)C2=O)cc1 ZINC000786130148 876498350 /nfs/dbraw/zinc/49/83/50/876498350.db2.gz BAHZYRLBTXPSEE-SFHVURJKSA-N -1 3 392.436 3.831 20 30 GHEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000530134214 877185297 /nfs/dbraw/zinc/18/52/97/877185297.db2.gz OJDBIZGHRGBUJG-IBGZPJMESA-N -1 3 392.452 3.638 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1c(F)cc(F)cc1F ZINC000127991217 878984372 /nfs/dbraw/zinc/98/43/72/878984372.db2.gz KQYAMSXHFNDSBD-LLVKDONJSA-N -1 3 378.350 3.518 20 30 GHEDHM CCCCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001127271377 879123541 /nfs/dbraw/zinc/12/35/41/879123541.db2.gz PGXOHODXFMUVEV-UHFFFAOYSA-N -1 3 386.533 3.993 20 30 GHEDHM CC[C@H]([N-]C(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)C(F)F ZINC000452267216 879230895 /nfs/dbraw/zinc/23/08/95/879230895.db2.gz UPGKVELKSUTKSO-JOYOIKCWSA-N -1 3 378.263 3.582 20 30 GHEDHM C[C@]1(C2CC2)NC(=O)N(c2cccc(CN=Cc3cc(Cl)ccc3[O-])c2)C1=O ZINC000790572888 879832165 /nfs/dbraw/zinc/83/21/65/879832165.db2.gz BVDJXKUNUOELID-OVRHDEQLSA-N -1 3 397.862 3.890 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cccc(O)c3[O-])cc2F)c1 ZINC000790646699 879912859 /nfs/dbraw/zinc/91/28/59/879912859.db2.gz OOYQAQKPVOEUEA-UHFFFAOYSA-N -1 3 378.359 3.940 20 30 GHEDHM Fc1ccc2[nH]cc(C=Nn3c(=S)[n-]nc3[C@H]3COc4ccccc4O3)c2c1 ZINC000747046001 880779259 /nfs/dbraw/zinc/77/92/59/880779259.db2.gz QVJYBEBPHQUULQ-QGZVFWFLSA-N -1 3 395.419 3.582 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000805102249 883580991 /nfs/dbraw/zinc/58/09/91/883580991.db2.gz APCDAFBGQDYAIM-GFCCVEGCSA-N -1 3 392.761 3.546 20 30 GHEDHM C[C@@H](Sc1nnc(CC#N)n1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000477061757 883666654 /nfs/dbraw/zinc/66/66/54/883666654.db2.gz ZLMVUPQVPPHAIT-SECBINFHSA-N -1 3 398.473 3.705 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000191227035 884567247 /nfs/dbraw/zinc/56/72/47/884567247.db2.gz XGRVUGQEQUAQLO-UHFFFAOYSA-N -1 3 381.240 3.795 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C#Cc3ccccc3)cc2)cc1 ZINC000747348743 884956161 /nfs/dbraw/zinc/95/61/61/884956161.db2.gz QQIXSSQSXGGCSO-UHFFFAOYSA-N -1 3 390.464 3.786 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)N=Nc3ncc(F)cn3)cc2)cc1 ZINC000760253267 885106602 /nfs/dbraw/zinc/10/66/02/885106602.db2.gz AYNQHOWJWXFRTM-UHFFFAOYSA-N -1 3 399.451 3.561 20 30 GHEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccccc3CC#N)nc(=O)c2c1C ZINC000777167503 885227903 /nfs/dbraw/zinc/22/79/03/885227903.db2.gz OBUZVHOIHBJWBB-GFCCVEGCSA-N -1 3 381.457 3.927 20 30 GHEDHM O=C(CCN1C(=O)CCc2cc(F)ccc21)N([O-])Cc1ccccc1Cl ZINC001184283849 913133433 /nfs/dbraw/zinc/13/34/33/913133433.db2.gz SMUUAIBNGLOYMA-UHFFFAOYSA-N -1 3 376.815 3.566 20 30 GHEDHM CCCCc1ccc(N2C[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC001184349104 913161721 /nfs/dbraw/zinc/16/17/21/913161721.db2.gz VFAITHVQHPKUQB-GOSISDBHSA-N -1 3 384.451 3.939 20 30 GHEDHM O=C([O-])CC[C@H](CNCc1cccc(F)c1OC(F)(F)F)C(F)(F)F ZINC000864514022 887818047 /nfs/dbraw/zinc/81/80/47/887818047.db2.gz JPFAVVXEJFZTCS-SECBINFHSA-N -1 3 377.256 3.857 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1OC(C)(C)CC2=O ZINC001131875997 887823058 /nfs/dbraw/zinc/82/30/58/887823058.db2.gz HHABQCUXUBOKMT-UHFFFAOYSA-N -1 3 393.443 3.591 20 30 GHEDHM Cc1c(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000794935010 888956046 /nfs/dbraw/zinc/95/60/46/888956046.db2.gz OXXDWZXQMFNXPM-HWKANZROSA-N -1 3 378.287 4.000 20 30 GHEDHM COc1cc(C=NN[C@H](C)COc2ccccc2)cc(Br)c1[O-] ZINC000811666695 889854712 /nfs/dbraw/zinc/85/47/12/889854712.db2.gz HUIVGGNDPATLRH-GFCCVEGCSA-N -1 3 379.254 3.554 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916911442 890412709 /nfs/dbraw/zinc/41/27/09/890412709.db2.gz MCHVKGQWLJSIHL-LBPRGKRZSA-N -1 3 383.747 3.956 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871372353 890793920 /nfs/dbraw/zinc/79/39/20/890793920.db2.gz BKTBRFRJPOXKFY-QFIPXVFZSA-N -1 3 381.451 3.696 20 30 GHEDHM CSc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000814742174 893134641 /nfs/dbraw/zinc/13/46/41/893134641.db2.gz ZVASIPFVNQVDEN-CYBMUJFWSA-N -1 3 390.515 3.745 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c(F)c1Cl ZINC001185228730 913743322 /nfs/dbraw/zinc/74/33/22/913743322.db2.gz DOTALKGIMHICHG-UHFFFAOYSA-N -1 3 377.784 3.807 20 30 GHEDHM Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)c3ccccc3n2)c(C)c1 ZINC000816758471 895052259 /nfs/dbraw/zinc/05/22/59/895052259.db2.gz QERLIKIPFODETI-HXUWFJFHSA-N -1 3 389.455 3.629 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(F)c1 ZINC000819772995 897001626 /nfs/dbraw/zinc/00/16/26/897001626.db2.gz NZCLIFUBUPSVHK-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(C)(C)C#N ZINC000131233030 897374243 /nfs/dbraw/zinc/37/42/43/897374243.db2.gz IPBPHSXFNCKWKV-CYBMUJFWSA-N -1 3 390.436 3.722 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)cc1 ZINC000131236048 897375387 /nfs/dbraw/zinc/37/53/87/897375387.db2.gz RYCCWIZWIOWWMN-DNVCBOLYSA-N -1 3 387.443 3.742 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823893995 899309635 /nfs/dbraw/zinc/30/96/35/899309635.db2.gz DGYMFEPDPGVNGU-CQSZACIVSA-N -1 3 378.436 3.529 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823893995 899309644 /nfs/dbraw/zinc/30/96/44/899309644.db2.gz DGYMFEPDPGVNGU-CQSZACIVSA-N -1 3 378.436 3.529 20 30 GHEDHM C=CCOCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823925949 899319665 /nfs/dbraw/zinc/31/96/65/899319665.db2.gz RXDBPJBOCYOFRH-MRXNPFEDSA-N -1 3 391.475 3.694 20 30 GHEDHM C=CCOCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823925949 899319678 /nfs/dbraw/zinc/31/96/78/899319678.db2.gz RXDBPJBOCYOFRH-MRXNPFEDSA-N -1 3 391.475 3.694 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000156393390 899732974 /nfs/dbraw/zinc/73/29/74/899732974.db2.gz NTFZKNFWMWJZJW-JTQLQIEISA-N -1 3 399.350 3.525 20 30 GHEDHM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399723 899735027 /nfs/dbraw/zinc/73/50/27/899735027.db2.gz DEAUMWYSLUIRDH-GORDUTHDSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399723 899735030 /nfs/dbraw/zinc/73/50/30/899735030.db2.gz DEAUMWYSLUIRDH-GORDUTHDSA-N -1 3 379.214 3.726 20 30 GHEDHM CC(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1[O-] ZINC000571187515 899769407 /nfs/dbraw/zinc/76/94/07/899769407.db2.gz UNDBFPVOCNGYFZ-UHFFFAOYSA-N -1 3 376.368 3.891 20 30 GHEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400409 899770120 /nfs/dbraw/zinc/77/01/20/899770120.db2.gz YNBYQYDFPKRYKN-FNORWQNLSA-N -1 3 396.332 3.570 20 30 GHEDHM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400409 899770131 /nfs/dbraw/zinc/77/01/31/899770131.db2.gz YNBYQYDFPKRYKN-FNORWQNLSA-N -1 3 396.332 3.570 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1[O-] ZINC001186457190 914584948 /nfs/dbraw/zinc/58/49/48/914584948.db2.gz FUWURXYLVWBENE-GOSISDBHSA-N -1 3 393.443 3.948 20 30 GHEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)cc1F ZINC000124143891 902030264 /nfs/dbraw/zinc/03/02/64/902030264.db2.gz SKZKXWOSHWXRSH-LJQANCHMSA-N -1 3 387.430 3.732 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)nc2)cc1 ZINC000845443174 902154522 /nfs/dbraw/zinc/15/45/22/902154522.db2.gz UYBDVSBOQOKQAH-KRWDZBQOSA-N -1 3 393.443 3.560 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nnc(C2CCCC2)o1 ZINC000845843286 902409433 /nfs/dbraw/zinc/40/94/33/902409433.db2.gz ZLQIYVPRRHYIEM-KRWDZBQOSA-N -1 3 377.444 3.670 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nnc(-c2ccsc2)o1 ZINC000845840598 902456378 /nfs/dbraw/zinc/45/63/78/902456378.db2.gz MUBMNONOWSYYIK-MRXNPFEDSA-N -1 3 391.452 3.740 20 30 GHEDHM Cc1ccc(C[C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000264871276 903441095 /nfs/dbraw/zinc/44/10/95/903441095.db2.gz HXICGSNETJEZBQ-IBGZPJMESA-N -1 3 377.488 3.750 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000773149132 904491356 /nfs/dbraw/zinc/49/13/56/904491356.db2.gz KVGBMLQSJNYDOM-PXLXIMEGSA-N -1 3 379.419 3.626 20 30 GHEDHM CC(=O)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)nc1C ZINC000777297016 905616807 /nfs/dbraw/zinc/61/68/07/905616807.db2.gz PGRZQFNIGFSGEG-OAHLLOKOSA-N -1 3 387.798 3.655 20 30 GHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(-c4noc(C5CC5)n4)c3)nc1-2 ZINC000429574638 906463584 /nfs/dbraw/zinc/46/35/84/906463584.db2.gz RNFLDTFSFXSFNX-OAHLLOKOSA-N -1 3 384.399 3.684 20 30 GHEDHM CCOC(=O)[C@@H]1CCCc2sc(Nc3ccc(-c4nn[n-]n4)cc3)c(C#N)c21 ZINC001175424883 907545232 /nfs/dbraw/zinc/54/52/32/907545232.db2.gz GWMCKABGNDJOPM-CYBMUJFWSA-N -1 3 394.460 3.526 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2cc3n(n2)CCC3)cc(Br)c1[O-] ZINC000901562247 921360327 /nfs/dbraw/zinc/36/03/27/921360327.db2.gz ZBKOMQPSTPREDY-WAYWQWQTSA-N -1 3 377.238 3.592 20 30 GHEDHM C=CCc1cccc(C(C)C)c1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000191455583 908627599 /nfs/dbraw/zinc/62/75/99/908627599.db2.gz DMDDFQSYNYALTA-UHFFFAOYSA-N -1 3 381.476 3.796 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000266865903 909324244 /nfs/dbraw/zinc/32/42/44/909324244.db2.gz IOPQQUZABXXNST-PKOBYXMFSA-N -1 3 377.488 3.688 20 30 GHEDHM C#CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001182186675 911231405 /nfs/dbraw/zinc/23/14/05/911231405.db2.gz TXZMZVIMZOUTGI-KRWDZBQOSA-N -1 3 378.513 3.783 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cn2)cc1 ZINC000774055984 911303916 /nfs/dbraw/zinc/30/39/16/911303916.db2.gz XMTGKAZXSWMVPJ-OAHLLOKOSA-N -1 3 391.349 3.546 20 30 GHEDHM C[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001182520900 911850153 /nfs/dbraw/zinc/85/01/53/911850153.db2.gz VAPRMDWXYSKSOW-SOUVJXGZSA-N -1 3 387.480 3.874 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2c[nH]c3c2cccc3F)c(C)c1[O-] ZINC001182571589 911876697 /nfs/dbraw/zinc/87/66/97/911876697.db2.gz HDRPIZAXRQXBGA-UHFFFAOYSA-N -1 3 395.390 3.551 20 30 GHEDHM COc1cc(OC)c(OC)cc1C/N=C/c1cc(Br)ccc1[O-] ZINC000005402911 915169855 /nfs/dbraw/zinc/16/98/55/915169855.db2.gz QFULPDXMLQNTHS-DJKKODMXSA-N -1 3 380.238 3.800 20 30 GHEDHM CCCCCCCCS(=O)(=O)[N-]c1cnc2cc(S(C)(=O)=O)ccc2c1 ZINC001188001075 915679042 /nfs/dbraw/zinc/67/90/42/915679042.db2.gz GGGKHXYMHZDWSS-UHFFFAOYSA-N -1 3 398.550 3.741 20 30 GHEDHM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1F ZINC001189164333 916409459 /nfs/dbraw/zinc/40/94/59/916409459.db2.gz RBCUKMSFMAKMRX-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)ccc1Br ZINC001189453231 916657832 /nfs/dbraw/zinc/65/78/32/916657832.db2.gz GOURGYFBWAETPE-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)cc1 ZINC000119907589 919667209 /nfs/dbraw/zinc/66/72/09/919667209.db2.gz WZDQINFPQVCXMR-SFHVURJKSA-N -1 3 376.391 3.535 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)c(=O)[n-]1 ZINC000297726843 919672653 /nfs/dbraw/zinc/67/26/53/919672653.db2.gz HEMOQCAYKWXMCB-QWRGUYRKSA-N -1 3 384.505 3.989 20 30 GHEDHM C#CCN(C)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[n-]1 ZINC000298623968 920733721 /nfs/dbraw/zinc/73/37/21/920733721.db2.gz VCGNLYZHBHZQQY-UHFFFAOYSA-N -1 3 394.500 3.639 20 30 GHEDHM CCc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1S(C)(=O)=O ZINC000901371014 921047451 /nfs/dbraw/zinc/04/74/51/921047451.db2.gz KILDSXXFHGUBJL-UHFFFAOYSA-N -1 3 383.469 3.837 20 30 GHEDHM O=C(NCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1)c1cccs1 ZINC000901376116 921053892 /nfs/dbraw/zinc/05/38/92/921053892.db2.gz PREMQMUIBBENAK-UHFFFAOYSA-N -1 3 384.432 3.849 20 30 GHEDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901379109 921056525 /nfs/dbraw/zinc/05/65/25/921056525.db2.gz VWXOLGFLPSTGGD-JSGCOSHPSA-N -1 3 387.307 3.996 20 30 GHEDHM O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380621 921058243 /nfs/dbraw/zinc/05/82/43/921058243.db2.gz ZISQEIFXWBURRG-MRXNPFEDSA-N -1 3 397.233 3.903 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@@H](C)c1nc2ccccc2s1 ZINC000748788558 923829203 /nfs/dbraw/zinc/82/92/03/923829203.db2.gz HCKWKMDKAPHTIR-CQSZACIVSA-N -1 3 387.530 3.938 20 30 GHEDHM N#CCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001137505913 926230911 /nfs/dbraw/zinc/23/09/11/926230911.db2.gz ZGCCQJWKLVKMTD-UHFFFAOYSA-N -1 3 393.374 3.665 20 30 GHEDHM CC(=O)c1ccc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1[O-] ZINC000412109855 927103495 /nfs/dbraw/zinc/10/34/95/927103495.db2.gz QBHQUULAOPTFBX-UHFFFAOYSA-N -1 3 378.428 3.586 20 30 GHEDHM CC(=[NH+][N-]c1cncc(Br)c1)c1ccc(N2CCCC2)cc1[O-] ZINC000758122104 929932497 /nfs/dbraw/zinc/93/24/97/929932497.db2.gz DYWHWGUNBQKCRH-UHFFFAOYSA-N -1 3 375.270 3.986 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccs1)CC(F)(F)F ZINC000470794240 930918669 /nfs/dbraw/zinc/91/86/69/930918669.db2.gz AYJYWIPGXDIBJX-UHFFFAOYSA-N -1 3 397.422 3.861 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccccc3)o2)cc1OC ZINC000784828824 932010380 /nfs/dbraw/zinc/01/03/80/932010380.db2.gz LIAWYUWWNBBLGU-MRXNPFEDSA-N -1 3 390.395 3.925 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1c[nH]c2ccc(C)cc12 ZINC001116090043 933329144 /nfs/dbraw/zinc/32/91/44/933329144.db2.gz HUWUYGKZTVIHKQ-UHFFFAOYSA-N -1 3 378.457 3.830 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1[O-] ZINC000777873303 933820127 /nfs/dbraw/zinc/82/01/27/933820127.db2.gz LDQPKQIMNLYCOI-CJNHFMNGSA-N -1 3 380.275 3.593 20 30 GHEDHM C=C(C)CCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC001117822086 934044202 /nfs/dbraw/zinc/04/42/02/934044202.db2.gz QSNXARVHTYOTIG-UHFFFAOYSA-N -1 3 393.336 3.624 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCO2)c1[O-] ZINC001122927077 935032958 /nfs/dbraw/zinc/03/29/58/935032958.db2.gz OMAYIXNKNOMFOB-FUHWJXTLSA-N -1 3 395.507 3.687 20 30 GHEDHM C=CCCC[C@H](C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001573334807 947464067 /nfs/dbraw/zinc/46/40/67/947464067.db2.gz IIUJXJFUUGMPCJ-SFTDATJTSA-N -1 3 387.487 3.590 20 30 GHEDHM C=CCCC[C@H](C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001573334807 947464070 /nfs/dbraw/zinc/46/40/70/947464070.db2.gz IIUJXJFUUGMPCJ-SFTDATJTSA-N -1 3 387.487 3.590 20 30 GHEDHM C=CCCC[C@@H](C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001573334800 947464590 /nfs/dbraw/zinc/46/45/90/947464590.db2.gz IIUJXJFUUGMPCJ-NHCUHLMSSA-N -1 3 387.487 3.590 20 30 GHEDHM C=CCCC[C@@H](C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001573334800 947464597 /nfs/dbraw/zinc/46/45/97/947464597.db2.gz IIUJXJFUUGMPCJ-NHCUHLMSSA-N -1 3 387.487 3.590 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H](C)[C@H]1C ZINC001573335183 947475213 /nfs/dbraw/zinc/47/52/13/947475213.db2.gz NLLRAEWXWVKMFG-JKSUJKDBSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H](C)[C@H]1C ZINC001573335183 947475219 /nfs/dbraw/zinc/47/52/19/947475219.db2.gz NLLRAEWXWVKMFG-JKSUJKDBSA-N -1 3 392.511 3.716 20 30 GHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573340778 947522380 /nfs/dbraw/zinc/52/23/80/947522380.db2.gz AHPSYBSLLMMAFD-UHFFFAOYSA-N -1 3 375.885 3.778 20 30 GHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573340778 947522390 /nfs/dbraw/zinc/52/23/90/947522390.db2.gz AHPSYBSLLMMAFD-UHFFFAOYSA-N -1 3 375.885 3.778 20 30 GHEDHM C=CCOCCCC(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001573348304 947581281 /nfs/dbraw/zinc/58/12/81/947581281.db2.gz OWHJTHKEUBCEIL-UHFFFAOYSA-N -1 3 394.431 3.685 20 30 GHEDHM C=CCOCCCC(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001573348304 947581287 /nfs/dbraw/zinc/58/12/87/947581287.db2.gz OWHJTHKEUBCEIL-UHFFFAOYSA-N -1 3 394.431 3.685 20 30 GHEDHM C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3[n-]c(=O)nc4cnncc43)[C@@H]12 ZINC001226690132 1032077826 /nfs/dbraw/zinc/07/78/26/1032077826.db2.gz FENMDRMFKKTHAU-GSRKGERYSA-N -1 3 376.416 3.531 20 30 GHEDHM C=CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000468392357 1015659769 /nfs/dbraw/zinc/65/97/69/1015659769.db2.gz KNIYKYIDGVHKFL-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM COc1ccc([C@@H](NCc2ccc(-c3ccccc3C#N)cc2)C(=O)[O-])cc1O ZINC001599532799 997688940 /nfs/dbraw/zinc/68/89/40/997688940.db2.gz SNHUQVPUDBDESE-JOCHJYFZSA-N -1 3 388.423 3.855 20 30 GHEDHM O=[N+]([O-])c1ccc2c(c1)ncnc2NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155909070 1032784070 /nfs/dbraw/zinc/78/40/70/1032784070.db2.gz HLEFIRBBWOYMER-UHFFFAOYSA-N -1 3 393.281 3.685 20 30 GHEDHM COc1ccc(C(=O)N2CCCCCC2)cc1N=Cc1ccc(O)c([O-])c1O ZINC000749103771 1021746248 /nfs/dbraw/zinc/74/62/48/1021746248.db2.gz BBPJLWSSPCOMST-UHFFFAOYSA-N -1 3 384.432 3.579 20 30 GHEDHM CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000835010404 1021766478 /nfs/dbraw/zinc/76/64/78/1021766478.db2.gz ZTGGWGWWSSLNIK-UHFFFAOYSA-N -1 3 384.455 3.502 20 30 GHEDHM COC(=O)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC001163769167 1026310779 /nfs/dbraw/zinc/31/07/79/1026310779.db2.gz QPSNNXGCHIXEDB-UHFFFAOYSA-N -1 3 399.281 3.528 20 30 GHEDHM CN(C)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC001163769402 1026310956 /nfs/dbraw/zinc/31/09/56/1026310956.db2.gz ZKHXAPVWJMOJMQ-UHFFFAOYSA-N -1 3 384.314 3.807 20 30 GHEDHM CC(C)(C)OC(=O)N1CC(n2cc([N-]c3onc(C(C)(C)C)c3C#N)cn2)C1 ZINC001209825350 1027225584 /nfs/dbraw/zinc/22/55/84/1027225584.db2.gz AURMFBFSMJAHFJ-UHFFFAOYSA-N -1 3 386.456 3.576 20 30 GHEDHM N#Cc1cncc([N-]c2nc3c(Br)cc(C(F)(F)F)cn3n2)c1 ZINC001210085500 1027337538 /nfs/dbraw/zinc/33/75/38/1027337538.db2.gz YDOBRTRMYDTQEG-UHFFFAOYSA-N -1 3 383.131 3.521 20 30 GHEDHM C=CCOCc1nn(CC2CC2)c2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203656347 1027512544 /nfs/dbraw/zinc/51/25/44/1027512544.db2.gz NUIOFRUHHYXSLX-UHFFFAOYSA-N -1 3 387.911 3.913 20 30 GHEDHM CC(C)(C)O[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])[C@@H]1n1cccn1 ZINC000840709093 1027748565 /nfs/dbraw/zinc/74/85/65/1027748565.db2.gz HMMRENWXDNYHLE-LOUAWZSFSA-N -1 3 392.297 3.967 20 30 GHEDHM C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213390548 1028156661 /nfs/dbraw/zinc/15/66/61/1028156661.db2.gz IIDNQSJQJFEUPI-OPMZPASUSA-N -1 3 398.409 3.863 20 30 GHEDHM C[C@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C1 ZINC000842684724 1029491004 /nfs/dbraw/zinc/49/10/04/1029491004.db2.gz JOCVCDRYCAYVLS-CMPLNLGQSA-N -1 3 391.258 3.733 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)cn2)cc1 ZINC000842686409 1029493254 /nfs/dbraw/zinc/49/32/54/1029493254.db2.gz MDKSVGLOVWTFRY-QGZVFWFLSA-N -1 3 393.443 3.560 20 30 GHEDHM N#Cc1cccc2c1CC[C@H]2NC(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150477190 1030539359 /nfs/dbraw/zinc/53/93/59/1030539359.db2.gz SFGQDJLHVGMNPF-GOSISDBHSA-N -1 3 397.356 3.836 20 30 GHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc2cc(Br)ccn2n1 ZINC001153083414 1031452918 /nfs/dbraw/zinc/45/29/18/1031452918.db2.gz PYHLTQXPJDENLK-UHFFFAOYSA-N -1 3 381.189 3.967 20 30 GHEDHM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226066632 1031767365 /nfs/dbraw/zinc/76/73/65/1031767365.db2.gz CLUZIRDGKRQYDR-CHWSQXEVSA-N -1 3 392.381 3.677 20 30 GHEDHM N#C[C@@H](Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)CC2)c1ccccc1F ZINC001226613069 1032042962 /nfs/dbraw/zinc/04/29/62/1032042962.db2.gz CHGLVYYNSPJNLM-HXUWFJFHSA-N -1 3 390.418 3.523 20 30 GHEDHM Cc1csc2[n-]c(=S)nc(O[C@@H]3CCN(Cc4ccccc4C#N)C3)c12 ZINC001229352171 1033431596 /nfs/dbraw/zinc/43/15/96/1033431596.db2.gz GUUZDSITBQYBQA-OAHLLOKOSA-N -1 3 382.514 3.813 20 30 GHEDHM COc1cc([O-])cc(O[C@@H](C[N+](=O)[O-])C2CC2)c1C(=O)/C=C/c1ccccc1 ZINC001229528649 1033541213 /nfs/dbraw/zinc/54/12/13/1033541213.db2.gz CHAGQWFKVUQIHE-OSICKASQSA-N -1 3 383.400 3.731 20 30 GHEDHM CC(C)c1ccc(CCC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC001161796850 1035303284 /nfs/dbraw/zinc/30/32/84/1035303284.db2.gz DZZTVCAAGFADGV-UHFFFAOYSA-N -1 3 394.471 3.647 20 30 GHEDHM CCN1C(=O)C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)[C@H]1c1cccc(C)c1 ZINC001161807522 1035306455 /nfs/dbraw/zinc/30/64/55/1035306455.db2.gz JMLLEPSPCULGFV-YLJYHZDGSA-N -1 3 386.879 3.976 20 30 GHEDHM N#Cc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c([O-])c1 ZINC001233383233 1039208959 /nfs/dbraw/zinc/20/89/59/1039208959.db2.gz BCORWAFZLNKVEL-UHFFFAOYSA-N -1 3 375.394 3.600 20 30 GHEDHM N#CC=C([O-])c1ccccc1OC1CCN(C(=O)c2cccnc2Cl)CC1 ZINC001233523077 1039410218 /nfs/dbraw/zinc/41/02/18/1039410218.db2.gz TULTUWWRGOTXTH-UHFFFAOYSA-N -1 3 383.835 3.515 20 30 GHEDHM Cc1c(Cl)c(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC001236110550 1041540199 /nfs/dbraw/zinc/54/01/99/1041540199.db2.gz AXLLYMAMSCGTJA-CYBMUJFWSA-N -1 3 387.823 3.753 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1ccc(Br)c([O-])c1)CCO2 ZINC001236685540 1041831647 /nfs/dbraw/zinc/83/16/47/1041831647.db2.gz NKTJPQUCVGHXRW-VQIMIIECSA-N -1 3 396.325 3.728 20 30 GHEDHM N#Cc1ccc(N2CCCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)nc1 ZINC001236796764 1041900619 /nfs/dbraw/zinc/90/06/19/1041900619.db2.gz QZBUBMWSYJIBII-UHFFFAOYSA-N -1 3 377.275 3.678 20 30 GHEDHM C#CC[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccccc1 ZINC001295200780 1044947491 /nfs/dbraw/zinc/94/74/91/1044947491.db2.gz YYWZQSFZNCWMBL-KRWDZBQOSA-N -1 3 395.256 3.785 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Br)c(Cl)c1 ZINC001259114121 1044967830 /nfs/dbraw/zinc/96/78/30/1044967830.db2.gz QKZRVBLTBQPRDQ-UHFFFAOYSA-N -1 3 396.653 3.647 20 30 GHEDHM O=S(=O)([N-]c1cc(OC(F)(F)F)c(F)cc1F)c1cc(F)cc(F)c1 ZINC001259311589 1045071606 /nfs/dbraw/zinc/07/16/06/1045071606.db2.gz CBXZFSXRCJCVSO-UHFFFAOYSA-N -1 3 389.248 3.942 20 30 GHEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2ccc(Br)c(F)c2F)cc1 ZINC001260044470 1045370216 /nfs/dbraw/zinc/37/02/16/1045370216.db2.gz BUWDQNSBRYXFCR-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(F)c1F ZINC001260500219 1045518295 /nfs/dbraw/zinc/51/82/95/1045518295.db2.gz YMAWULLCWRLYHD-UHFFFAOYSA-N -1 3 378.278 3.536 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001263535246 1046928683 /nfs/dbraw/zinc/92/86/83/1046928683.db2.gz TYGNTIWMUZFLHR-UXLLHSPISA-N -1 3 379.378 3.886 20 30 GHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001306333515 1048573273 /nfs/dbraw/zinc/57/32/73/1048573273.db2.gz FJKOIXKXVYBQSV-UHFFFAOYSA-N -1 3 381.382 3.730 20 30 GHEDHM Cc1ccc(NC(=O)CS[C@H](C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001306901254 1048952281 /nfs/dbraw/zinc/95/22/81/1048952281.db2.gz YKKRGRXYCNINLJ-CQSZACIVSA-N -1 3 376.453 3.612 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(F)cc1Br ZINC001309689606 1050921629 /nfs/dbraw/zinc/92/16/29/1050921629.db2.gz GFVREBWPPQPRCM-UHFFFAOYSA-N -1 3 389.290 3.649 20 30 GHEDHM Cc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(Sc2ccc(Cl)cc2)c1 ZINC000848135790 1056739124 /nfs/dbraw/zinc/73/91/24/1056739124.db2.gz QNTZKIRUZHXFQY-MRXNPFEDSA-N -1 3 390.892 3.910 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=Nc2ccccn2)n1N=Cc1ccoc1 ZINC001322668858 1056791819 /nfs/dbraw/zinc/79/18/19/1056791819.db2.gz CTMNEOHVAHSHAL-UHFFFAOYSA-N -1 3 378.413 3.730 20 30 GHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(N4CCOC4=O)ccc3F)on2)c1 ZINC001326733576 1057544628 /nfs/dbraw/zinc/54/46/28/1057544628.db2.gz DQGMVLCHVLKQDL-UHFFFAOYSA-N -1 3 392.346 3.561 20 30 GHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ncc(C(N)=O)cc3Cl)sc2[C@H](C)C1 ZINC001327221544 1057624563 /nfs/dbraw/zinc/62/45/63/1057624563.db2.gz PCWPNBPUXQZZAA-RKDXNWHRSA-N -1 3 388.880 3.705 20 30 GHEDHM C[C@@H]1CCc2nc([N-]C(=O)c3nc(Br)ccc3F)c(C#N)cc2C1 ZINC001337625979 1058189557 /nfs/dbraw/zinc/18/95/57/1058189557.db2.gz ATVCYUZSWCPJPI-SECBINFHSA-N -1 3 389.228 3.627 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC001339070690 1058946860 /nfs/dbraw/zinc/94/68/60/1058946860.db2.gz WTXKRWIPKYAOCN-QGZVFWFLSA-N -1 3 390.491 3.546 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1cc(C)ccc1C ZINC001339196798 1059004752 /nfs/dbraw/zinc/00/47/52/1059004752.db2.gz OSCLKNOZRIGPRO-LJQANCHMSA-N -1 3 390.491 3.893 20 30 GHEDHM C#CCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001445028090 1059442971 /nfs/dbraw/zinc/44/29/71/1059442971.db2.gz JJDIOGGJWYKUIR-UHFFFAOYSA-N -1 3 392.386 3.775 20 30 GHEDHM CN(C)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001454577173 1061855301 /nfs/dbraw/zinc/85/53/01/1061855301.db2.gz PVOUGFXZXVTGLZ-MRXNPFEDSA-N -1 3 378.259 3.603 20 30 GHEDHM C[C@@H]1[C@H](C(=O)N([O-])CCCCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001458009276 1063504566 /nfs/dbraw/zinc/50/45/66/1063504566.db2.gz QEYZMVNBAXRWNT-SJLPKXTDSA-N -1 3 376.497 3.873 20 30 GHEDHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001458042885 1063522408 /nfs/dbraw/zinc/52/24/08/1063522408.db2.gz JPIOTBBCEAXHHH-UHFFFAOYSA-N -1 3 376.401 3.621 20 30 GHEDHM C#CCN(c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])C1CC1 ZINC001458382335 1063774928 /nfs/dbraw/zinc/77/49/28/1063774928.db2.gz LGBZMQHZBIMBNV-UHFFFAOYSA-N -1 3 399.472 3.614 20 30 GHEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001349702221 1063879412 /nfs/dbraw/zinc/87/94/12/1063879412.db2.gz NHUXALILTIJWGN-CYBMUJFWSA-N -1 3 388.349 3.882 20 30 GHEDHM CC(C)(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000847623816 1065777975 /nfs/dbraw/zinc/77/79/75/1065777975.db2.gz GWTRBRHHUUECIV-CYBMUJFWSA-N -1 3 379.247 3.906 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CSCc3ccc(Br)cc32)c1[O-] ZINC000849171765 1067751602 /nfs/dbraw/zinc/75/16/02/1067751602.db2.gz FSMTVLWIJBFOHE-XAFHECRUSA-N -1 3 393.306 3.757 20 30 GHEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472607492 1073571778 /nfs/dbraw/zinc/57/17/78/1073571778.db2.gz QAAVZVXFYAKXPM-UHFFFAOYSA-N -1 3 381.382 3.729 20 30 GHEDHM CCCCCCCS(=O)(=O)[N-][C@]1(C(=O)OC)CC[C@@H](C)c2ccccc21 ZINC001475793916 1075022902 /nfs/dbraw/zinc/02/29/02/1075022902.db2.gz RGEGXFRXVXOJTK-OXQOHEQNSA-N -1 3 381.538 3.842 20 30 GHEDHM COc1cccc(C=NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1O ZINC000737130892 598824812 /nfs/dbraw/zinc/82/48/12/598824812.db2.gz UBRGOQQUTUOAFZ-CIAFOILYSA-N -1 3 391.456 3.929 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000737717725 598914418 /nfs/dbraw/zinc/91/44/18/598914418.db2.gz AJCPOPGUKVTJEK-UHFFFAOYSA-N -1 3 380.411 3.581 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000737717725 598914419 /nfs/dbraw/zinc/91/44/19/598914419.db2.gz AJCPOPGUKVTJEK-UHFFFAOYSA-N -1 3 380.411 3.581 20 30 GHEDHM N#Cc1cc(NC(=O)CCCOc2cccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737703029 598917062 /nfs/dbraw/zinc/91/70/62/598917062.db2.gz ACPKHSKINXWKBY-UHFFFAOYSA-N -1 3 398.426 3.689 20 30 GHEDHM N#Cc1cc(NC(=O)CCCOc2cccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737703029 598917064 /nfs/dbraw/zinc/91/70/64/598917064.db2.gz ACPKHSKINXWKBY-UHFFFAOYSA-N -1 3 398.426 3.689 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1-c1nnn[n-]1 ZINC000737706737 598925523 /nfs/dbraw/zinc/92/55/23/598925523.db2.gz YNFQPFSNYIVWTC-UHFFFAOYSA-N -1 3 390.422 3.718 20 30 GHEDHM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1-c1nn[n-]n1 ZINC000737706737 598925524 /nfs/dbraw/zinc/92/55/24/598925524.db2.gz YNFQPFSNYIVWTC-UHFFFAOYSA-N -1 3 390.422 3.718 20 30 GHEDHM COc1ccc(-c2ccccc2)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821732650 607253314 /nfs/dbraw/zinc/25/33/14/607253314.db2.gz RJYWJCIMKUJVEA-UHFFFAOYSA-N -1 3 384.443 3.666 20 30 GHEDHM COc1ccc(-c2ccccc2)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821732650 607253315 /nfs/dbraw/zinc/25/33/15/607253315.db2.gz RJYWJCIMKUJVEA-UHFFFAOYSA-N -1 3 384.443 3.666 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1Br ZINC000823504639 599114932 /nfs/dbraw/zinc/11/49/32/599114932.db2.gz SJEIXDMUIXSZEH-RAXLEYEMSA-N -1 3 381.233 3.842 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1Br ZINC000823504639 599114934 /nfs/dbraw/zinc/11/49/34/599114934.db2.gz SJEIXDMUIXSZEH-RAXLEYEMSA-N -1 3 381.233 3.842 20 30 GHEDHM O=C1C(=Cc2csc(-c3ccccn3)n2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505158 599115597 /nfs/dbraw/zinc/11/55/97/599115597.db2.gz YIASVLNJWBKRIS-RAXLEYEMSA-N -1 3 386.440 3.598 20 30 GHEDHM O=C1C(=Cc2csc(-c3ccccn3)n2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505158 599115602 /nfs/dbraw/zinc/11/56/02/599115602.db2.gz YIASVLNJWBKRIS-RAXLEYEMSA-N -1 3 386.440 3.598 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823503274 599116871 /nfs/dbraw/zinc/11/68/71/599116871.db2.gz CPYAHXYMSLCTCT-DHZHZOJOSA-N -1 3 381.779 3.641 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823503274 599116874 /nfs/dbraw/zinc/11/68/74/599116874.db2.gz CPYAHXYMSLCTCT-DHZHZOJOSA-N -1 3 381.779 3.641 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1cc(C)ccc1C ZINC000737319278 599157420 /nfs/dbraw/zinc/15/74/20/599157420.db2.gz GXODEKFTSCOEOZ-FLIBITNWSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cc(C)ccc1C ZINC000737319278 599157422 /nfs/dbraw/zinc/15/74/22/599157422.db2.gz GXODEKFTSCOEOZ-FLIBITNWSA-N -1 3 384.443 3.874 20 30 GHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735409727 599217538 /nfs/dbraw/zinc/21/75/38/599217538.db2.gz JMIPBTJAWWWZLB-ZDUSSCGKSA-N -1 3 396.426 3.671 20 30 GHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735409727 599217541 /nfs/dbraw/zinc/21/75/41/599217541.db2.gz JMIPBTJAWWWZLB-ZDUSSCGKSA-N -1 3 396.426 3.671 20 30 GHEDHM C[C@@H](C#N)COC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819858000 607323103 /nfs/dbraw/zinc/32/31/03/607323103.db2.gz XSGRUMJMOZCPMX-NSHDSACASA-N -1 3 383.795 3.629 20 30 GHEDHM C[C@@H](C#N)COC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819858000 607323104 /nfs/dbraw/zinc/32/31/04/607323104.db2.gz XSGRUMJMOZCPMX-NSHDSACASA-N -1 3 383.795 3.629 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000735451331 598313879 /nfs/dbraw/zinc/31/38/79/598313879.db2.gz XRZJSILJWQRQGI-UHFFFAOYSA-N -1 3 391.313 3.630 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000735451331 598313881 /nfs/dbraw/zinc/31/38/81/598313881.db2.gz XRZJSILJWQRQGI-UHFFFAOYSA-N -1 3 391.313 3.630 20 30 GHEDHM C(=NNCc1ccccc1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735400984 598545531 /nfs/dbraw/zinc/54/55/31/598545531.db2.gz UWEHNLVPQDXDOZ-UHFFFAOYSA-N -1 3 384.443 3.569 20 30 GHEDHM C(=NNCc1ccccc1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735400984 598545532 /nfs/dbraw/zinc/54/55/32/598545532.db2.gz UWEHNLVPQDXDOZ-UHFFFAOYSA-N -1 3 384.443 3.569 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737727213 598546702 /nfs/dbraw/zinc/54/67/02/598546702.db2.gz GVZOHKYSPINGIK-NTMALXAHSA-N -1 3 380.411 3.883 20 30 GHEDHM N#Cc1ccccc1COc1cccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737727213 598546703 /nfs/dbraw/zinc/54/67/03/598546703.db2.gz GVZOHKYSPINGIK-NTMALXAHSA-N -1 3 380.411 3.883 20 30 GHEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735390726 598591227 /nfs/dbraw/zinc/59/12/27/598591227.db2.gz DGFDPTBLRICLAM-SEYXRHQNSA-N -1 3 395.422 3.688 20 30 GHEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735390726 598591229 /nfs/dbraw/zinc/59/12/29/598591229.db2.gz DGFDPTBLRICLAM-SEYXRHQNSA-N -1 3 395.422 3.688 20 30 GHEDHM CCc1cc(C#N)c(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000736678341 598654750 /nfs/dbraw/zinc/65/47/50/598654750.db2.gz BPZYJWXHWPZACM-UHFFFAOYSA-N -1 3 396.476 3.550 20 30 GHEDHM CCc1cc(C#N)c(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000736678341 598654751 /nfs/dbraw/zinc/65/47/51/598654751.db2.gz BPZYJWXHWPZACM-UHFFFAOYSA-N -1 3 396.476 3.550 20 30 GHEDHM CCc1c2ccccc2oc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736664930 599460252 /nfs/dbraw/zinc/46/02/52/599460252.db2.gz AXXNHQWWVGMJKQ-CMDGGOBGSA-N -1 3 384.399 3.719 20 30 GHEDHM CCc1c2ccccc2oc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736664930 599460254 /nfs/dbraw/zinc/46/02/54/599460254.db2.gz AXXNHQWWVGMJKQ-CMDGGOBGSA-N -1 3 384.399 3.719 20 30 GHEDHM CCCCCCCCCN(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821050225 599460927 /nfs/dbraw/zinc/46/09/27/599460927.db2.gz PPTLPIHKTXBEPG-UHFFFAOYSA-N -1 3 376.480 3.898 20 30 GHEDHM CCCCCCCCCN(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821050225 599460930 /nfs/dbraw/zinc/46/09/30/599460930.db2.gz PPTLPIHKTXBEPG-UHFFFAOYSA-N -1 3 376.480 3.898 20 30 GHEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000736360638 599884862 /nfs/dbraw/zinc/88/48/62/599884862.db2.gz QXAVXXUCVVFBTP-YMTOWFKASA-N -1 3 379.388 3.557 20 30 GHEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000737415234 599911920 /nfs/dbraw/zinc/91/19/20/599911920.db2.gz HKVRQEHHCVHHGF-INIZCTEOSA-N -1 3 395.415 3.516 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832877758 601206283 /nfs/dbraw/zinc/20/62/83/601206283.db2.gz XTIOPDGUTQAXNM-PGRDOPGGSA-N -1 3 393.487 3.602 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2nc(C)ccc2c1 ZINC000819745422 607499686 /nfs/dbraw/zinc/49/96/86/607499686.db2.gz CBRMJFIZJWSTBG-UHFFFAOYSA-N -1 3 384.443 3.552 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2nc(C)ccc2c1 ZINC000819745422 607499687 /nfs/dbraw/zinc/49/96/87/607499687.db2.gz CBRMJFIZJWSTBG-UHFFFAOYSA-N -1 3 384.443 3.552 20 30 GHEDHM Cc1cc(C(=O)C(C#N)c2nc3ccccc3s2)cc(C)c1OCC(=O)[O-] ZINC000832858776 601499002 /nfs/dbraw/zinc/49/90/02/601499002.db2.gz FVLCVWGUNVMKOD-CQSZACIVSA-N -1 3 380.425 3.867 20 30 GHEDHM CN(CCCOc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830776931 601901122 /nfs/dbraw/zinc/90/11/22/601901122.db2.gz BRUYTBCJHQNAEY-SFHVURJKSA-N -1 3 378.350 3.502 20 30 GHEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000736360124 604373897 /nfs/dbraw/zinc/37/38/97/604373897.db2.gz OZXRZOWXTXJAOF-JSGCOSHPSA-N -1 3 377.853 3.932 20 30 GHEDHM C=C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000833370863 604780197 /nfs/dbraw/zinc/78/01/97/604780197.db2.gz IBEJGVXZPOTKHR-YKSBVNFPSA-N -1 3 392.499 3.582 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000819743646 606162432 /nfs/dbraw/zinc/16/24/32/606162432.db2.gz NDBZFGROFGCVDE-SJORKVTESA-N -1 3 390.491 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000819743646 606162434 /nfs/dbraw/zinc/16/24/34/606162434.db2.gz NDBZFGROFGCVDE-SJORKVTESA-N -1 3 390.491 3.757 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)cc1-c1nnn[n-]1 ZINC000822829910 606186471 /nfs/dbraw/zinc/18/64/71/606186471.db2.gz OTRGJFXLTLTMAO-UHFFFAOYSA-N -1 3 399.389 3.555 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000822829910 606186473 /nfs/dbraw/zinc/18/64/73/606186473.db2.gz OTRGJFXLTLTMAO-UHFFFAOYSA-N -1 3 399.389 3.555 20 30 GHEDHM N#CCCn1cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822811050 606328974 /nfs/dbraw/zinc/32/89/74/606328974.db2.gz RUWHHQUNTFYEOY-UHFFFAOYSA-N -1 3 388.456 3.710 20 30 GHEDHM N#CCCn1cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822811050 606328975 /nfs/dbraw/zinc/32/89/75/606328975.db2.gz RUWHHQUNTFYEOY-UHFFFAOYSA-N -1 3 388.456 3.710 20 30 GHEDHM FC(F)(F)c1cc(N=NC[C@@H]2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC000822723445 606462322 /nfs/dbraw/zinc/46/23/22/606462322.db2.gz FIPBWTBUAFEFAP-NSHDSACASA-N -1 3 388.353 3.850 20 30 GHEDHM FC(F)(F)c1cc(N=NC[C@@H]2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000822723445 606462323 /nfs/dbraw/zinc/46/23/23/606462323.db2.gz FIPBWTBUAFEFAP-NSHDSACASA-N -1 3 388.353 3.850 20 30 GHEDHM CC(C)(C#N)c1ccccc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000819892148 607154333 /nfs/dbraw/zinc/15/43/33/607154333.db2.gz WPIQMGPETMAQDG-UHFFFAOYSA-N -1 3 393.472 3.503 20 30 GHEDHM CC(C)(C#N)c1ccccc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000819892148 607154334 /nfs/dbraw/zinc/15/43/34/607154334.db2.gz WPIQMGPETMAQDG-UHFFFAOYSA-N -1 3 393.472 3.503 20 30 GHEDHM C#CC[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823837846 607930473 /nfs/dbraw/zinc/93/04/73/607930473.db2.gz HESYDWYATSGYNY-INIZCTEOSA-N -1 3 382.880 3.571 20 30 GHEDHM C#CC[C@H](NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823837846 607930474 /nfs/dbraw/zinc/93/04/74/607930474.db2.gz HESYDWYATSGYNY-INIZCTEOSA-N -1 3 382.880 3.571 20 30 GHEDHM N#Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1-c1nnn[n-]1 ZINC000826385260 608064787 /nfs/dbraw/zinc/06/47/87/608064787.db2.gz DNNZSUORINOWMQ-UHFFFAOYSA-N -1 3 393.621 3.951 20 30 GHEDHM N#Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1-c1nn[n-]n1 ZINC000826385260 608064788 /nfs/dbraw/zinc/06/47/88/608064788.db2.gz DNNZSUORINOWMQ-UHFFFAOYSA-N -1 3 393.621 3.951 20 30 GHEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(Cl)c1O ZINC000825615863 608093648 /nfs/dbraw/zinc/09/36/48/608093648.db2.gz NTHXJCVOVKTOAT-ARJAWSKDSA-N -1 3 376.825 3.582 20 30 GHEDHM COc1ccc(C=CC(=O)c2cc(Cl)c(N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826190501 608287886 /nfs/dbraw/zinc/28/78/86/608287886.db2.gz DDKBRBXYFYKNFL-DUXPYHPUSA-N -1 3 390.230 3.660 20 30 GHEDHM COc1ccc(C=CC(=O)c2cc(Cl)c(N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826190501 608287888 /nfs/dbraw/zinc/28/78/88/608287888.db2.gz DDKBRBXYFYKNFL-DUXPYHPUSA-N -1 3 390.230 3.660 20 30 GHEDHM CC(C)(C)c1cc(NC(=O)c2c(F)cc(C#N)cc2F)c(-c2nnn[n-]2)s1 ZINC000824131344 608349859 /nfs/dbraw/zinc/34/98/59/608349859.db2.gz ZBWMMTFRVAWCDD-UHFFFAOYSA-N -1 3 388.403 3.628 20 30 GHEDHM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400454 609133877 /nfs/dbraw/zinc/13/38/77/609133877.db2.gz ZKLGGUJQYJBBMY-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400454 609133878 /nfs/dbraw/zinc/13/38/78/609133878.db2.gz ZKLGGUJQYJBBMY-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C)c2OC(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826297595 609309636 /nfs/dbraw/zinc/30/96/36/609309636.db2.gz MHIOEVLRJXUSCP-HJWRWDBZSA-N -1 3 399.401 3.729 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C)c2OC(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826297595 609309637 /nfs/dbraw/zinc/30/96/37/609309637.db2.gz MHIOEVLRJXUSCP-HJWRWDBZSA-N -1 3 399.401 3.729 20 30 GHEDHM Clc1cc(NN=C(C[C@@H]2CCOC2)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000826350573 609471676 /nfs/dbraw/zinc/47/16/76/609471676.db2.gz BZZFOBKMEGICBM-ZDUSSCGKSA-N -1 3 382.855 3.763 20 30 GHEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Cl)c1OC ZINC000826190457 609471807 /nfs/dbraw/zinc/47/18/07/609471807.db2.gz BWCADIWXIYUVLQ-UHFFFAOYSA-N -1 3 393.234 3.637 20 30 GHEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(Cl)c1OC ZINC000826190457 609471810 /nfs/dbraw/zinc/47/18/10/609471810.db2.gz BWCADIWXIYUVLQ-UHFFFAOYSA-N -1 3 393.234 3.637 20 30 GHEDHM N#Cc1cccnc1Oc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826387415 609477576 /nfs/dbraw/zinc/47/75/76/609477576.db2.gz UJXWNNJAHQHYGC-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM N#Cc1cccnc1Oc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826387415 609477577 /nfs/dbraw/zinc/47/75/77/609477577.db2.gz UJXWNNJAHQHYGC-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C4CC4)cnn3C)n2)cc1 ZINC000659062227 837420761 /nfs/dbraw/zinc/42/07/61/837420761.db2.gz DGWGDXQKBKNGGL-OAHLLOKOSA-N -1 3 378.457 3.920 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000547927956 837597539 /nfs/dbraw/zinc/59/75/39/837597539.db2.gz LNPUOBOAKVQSPB-GFCCVEGCSA-N -1 3 380.473 3.695 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000039535359 834640781 /nfs/dbraw/zinc/64/07/81/834640781.db2.gz BOHYEULFCGCLQU-ZDUSSCGKSA-N -1 3 381.501 3.714 20 30 GHEDHM COc1cc(C(=O)N(C)C)ccc1N=Cc1cc(Br)ccc1[O-] ZINC000254944679 835341759 /nfs/dbraw/zinc/34/17/59/835341759.db2.gz RQPWVSWHOWIJFB-UHFFFAOYSA-N -1 3 377.238 3.616 20 30 GHEDHM O=C1CCC(=O)N1Cc1ccccc1N=Cc1cc(Br)ccc1[O-] ZINC000255867752 836292947 /nfs/dbraw/zinc/29/29/47/836292947.db2.gz QLUJBEAAYUWMHX-UHFFFAOYSA-N -1 3 387.233 3.554 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(C#N)cs3)cc2)cc1 ZINC000175690485 836949895 /nfs/dbraw/zinc/94/98/95/836949895.db2.gz JLKFZFABZLHFMU-UHFFFAOYSA-N -1 3 397.481 3.981 20 30 GHEDHM COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000471294445 837068496 /nfs/dbraw/zinc/06/84/96/837068496.db2.gz YPDKKSUYJQTUKC-UHFFFAOYSA-N -1 3 390.399 3.781 20 30 GHEDHM CCCCN1CCc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc21 ZINC000122964036 839504419 /nfs/dbraw/zinc/50/44/19/839504419.db2.gz WMUPBDCCHZXLHN-UHFFFAOYSA-N -1 3 392.503 3.597 20 30 GHEDHM N#Cc1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)cnc1C(F)(F)F ZINC000549536355 841515486 /nfs/dbraw/zinc/51/54/86/841515486.db2.gz WRAHMNVJLKHDDK-UHFFFAOYSA-N -1 3 375.335 3.743 20 30 GHEDHM Cc1ccc(S(=O)(=O)N(C(=O)c2ccc(C#N)cc2)c2ccc([O-])cc2)s1 ZINC000066870242 841530600 /nfs/dbraw/zinc/53/06/00/841530600.db2.gz QSIFVQJXHVULTE-UHFFFAOYSA-N -1 3 398.465 3.670 20 30 GHEDHM O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000048340227 842148646 /nfs/dbraw/zinc/14/86/46/842148646.db2.gz KQPIRFCMCAETSC-UHFFFAOYSA-N -1 3 385.383 3.821 20 30 GHEDHM O=C(C1CCCCC1)N1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000255374646 842455585 /nfs/dbraw/zinc/45/55/85/842455585.db2.gz OGPRGTKOIAGOFQ-VBNMEBLOSA-N -1 3 379.298 3.755 20 30 GHEDHM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3cccc4ccccc43)nn2)cc1 ZINC000128831496 843077204 /nfs/dbraw/zinc/07/72/04/843077204.db2.gz IOYPEMBAFVGNFT-LJQANCHMSA-N -1 3 395.422 3.690 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3F)oc2C)c1 ZINC000121667089 844797810 /nfs/dbraw/zinc/79/78/10/844797810.db2.gz OPOIUACVZXMDRY-INIZCTEOSA-N -1 3 393.374 3.759 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1C ZINC000603977418 861527962 /nfs/dbraw/zinc/52/79/62/861527962.db2.gz SKTFTDLZFOTJSV-UHFFFAOYSA-N -1 3 384.379 3.917 20 30 GHEDHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000015645386 846607659 /nfs/dbraw/zinc/60/76/59/846607659.db2.gz VVJVTDAVMABRAO-LBPRGKRZSA-N -1 3 384.457 3.778 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000280761215 846717220 /nfs/dbraw/zinc/71/72/20/846717220.db2.gz FMOONDBPVRGRIA-UHFFFAOYSA-N -1 3 389.459 3.711 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000503432528 847691957 /nfs/dbraw/zinc/69/19/57/847691957.db2.gz WDWTUTPXINSCIH-NWDGAFQWSA-N -1 3 380.819 3.859 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1N1CCCC1 ZINC000731782546 861888643 /nfs/dbraw/zinc/88/86/43/861888643.db2.gz VZPRGRLWCWSIOL-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM O=C(c1ccccc1)N1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000255563689 848905635 /nfs/dbraw/zinc/90/56/35/848905635.db2.gz QIPASNRPCYVHQE-BKUYFWCQSA-N -1 3 387.277 3.878 20 30 GHEDHM C=CCCc1ccccc1NC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000505010328 850519323 /nfs/dbraw/zinc/51/93/23/850519323.db2.gz FNXYRZDDMGBSIM-UHFFFAOYSA-N -1 3 397.479 3.512 20 30 GHEDHM C=CCCc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000505010328 850519328 /nfs/dbraw/zinc/51/93/28/850519328.db2.gz FNXYRZDDMGBSIM-UHFFFAOYSA-N -1 3 397.479 3.512 20 30 GHEDHM N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000434624455 851378493 /nfs/dbraw/zinc/37/84/93/851378493.db2.gz GWGSPPKCXJYCAL-MSOLQXFVSA-N -1 3 391.452 3.863 20 30 GHEDHM N#Cc1ccccc1N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436627868 852122272 /nfs/dbraw/zinc/12/22/72/852122272.db2.gz VNTIIVJITGRMDA-UHFFFAOYSA-N -1 3 397.478 3.817 20 30 GHEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436672266 852172521 /nfs/dbraw/zinc/17/25/21/852172521.db2.gz BOBTVZRZMRYNIQ-UHFFFAOYSA-N -1 3 381.432 3.666 20 30 GHEDHM CCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c([O-])c1 ZINC000436837768 852388293 /nfs/dbraw/zinc/38/82/93/852388293.db2.gz HQVCYQJTSFHRKR-UHFFFAOYSA-N -1 3 377.444 3.790 20 30 GHEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C(F)(F)F ZINC000426939056 852559398 /nfs/dbraw/zinc/55/93/98/852559398.db2.gz CWHCOZSBCGXMKA-UHFFFAOYSA-N -1 3 393.365 3.874 20 30 GHEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000732644402 862401063 /nfs/dbraw/zinc/40/10/63/862401063.db2.gz RYPGYYZPDJYDAZ-UHFFFAOYSA-N -1 3 396.528 3.721 20 30 GHEDHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000481881503 862471090 /nfs/dbraw/zinc/47/10/90/862471090.db2.gz IPKBQNNWGSYXFB-UHFFFAOYSA-N -1 3 384.288 3.727 20 30 GHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000416962995 854038390 /nfs/dbraw/zinc/03/83/90/854038390.db2.gz UTWUCLRFAVFVJD-SECBINFHSA-N -1 3 390.305 3.690 20 30 GHEDHM C=C[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000428048612 857060782 /nfs/dbraw/zinc/06/07/82/857060782.db2.gz JZCYHKCAHSHDPU-HNNXBMFYSA-N -1 3 385.489 3.519 20 30 GHEDHM COc1ccc(CN=Nc2c(F)c(F)nc(F)c2F)c(Br)c1[O-] ZINC000761014312 857343092 /nfs/dbraw/zinc/34/30/92/857343092.db2.gz DQORSRFNMGTRLC-UHFFFAOYSA-N -1 3 394.122 3.561 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCC2)c1cccc(C(F)(F)F)c1 ZINC000593276089 857475177 /nfs/dbraw/zinc/47/51/77/857475177.db2.gz MXILTAWNRQVXNJ-OAHLLOKOSA-N -1 3 396.390 3.574 20 30 GHEDHM Cc1ccc(Br)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046375459 857690116 /nfs/dbraw/zinc/69/01/16/857690116.db2.gz UWZSPDMOGCIAGL-UHFFFAOYSA-N -1 3 388.265 3.506 20 30 GHEDHM CC(C)(C#N)c1ccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1 ZINC000593947758 857826714 /nfs/dbraw/zinc/82/67/14/857826714.db2.gz NUHYHIKWYPJHHW-NRFANRHFSA-N -1 3 388.471 3.979 20 30 GHEDHM N#Cc1ccc(CSCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151570825 858298518 /nfs/dbraw/zinc/29/85/18/858298518.db2.gz NZGHOXSIKMMUAK-UHFFFAOYSA-N -1 3 391.290 3.576 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000046690603 858325799 /nfs/dbraw/zinc/32/57/99/858325799.db2.gz ZNIBCPHKDGHLSS-JOCHJYFZSA-N -1 3 377.488 3.844 20 30 GHEDHM COCCc1nnc(-c2cccc(C([O-])=C(C#N)c3nccc4ccccc43)c2)o1 ZINC000483222101 859217328 /nfs/dbraw/zinc/21/73/28/859217328.db2.gz STIHZZSDKXICCH-IBGZPJMESA-N -1 3 398.422 3.964 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)ccc1Cl ZINC000509392780 859292696 /nfs/dbraw/zinc/29/26/96/859292696.db2.gz SPNKLMYZHGNSFO-UHFFFAOYSA-N -1 3 376.743 3.753 20 30 GHEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc4ccc(C#N)cc4c3C)nc21 ZINC000484417747 859997124 /nfs/dbraw/zinc/99/71/24/859997124.db2.gz WZJOSGQHXIFPEW-UHFFFAOYSA-N -1 3 390.424 3.997 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CCc2cccc(OCc3ccccc3)c2)c1[O-] ZINC000765501871 860013184 /nfs/dbraw/zinc/01/31/84/860013184.db2.gz ZBUBPMLZXGHFQF-ZVHZXABRSA-N -1 3 376.456 3.829 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N([O-])Cc1ccccc1Cl ZINC000904190538 860216388 /nfs/dbraw/zinc/21/63/88/860216388.db2.gz MUAUHXIEMCBKMR-GFCCVEGCSA-N -1 3 378.803 3.606 20 30 GHEDHM N#Cc1ccc(OCc2ccc(C(=O)[N-]c3n[nH]c(-c4cccs4)n3)o2)cc1 ZINC000728069030 860363771 /nfs/dbraw/zinc/36/37/71/860363771.db2.gz RDAVCEPWYGYMNW-UHFFFAOYSA-N -1 3 391.412 3.829 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000015825195 863146547 /nfs/dbraw/zinc/14/65/47/863146547.db2.gz RQFPQDQYEQEIOM-AWEZNQCLSA-N -1 3 394.500 3.625 20 30 GHEDHM CC[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000453787565 881631543 /nfs/dbraw/zinc/63/15/43/881631543.db2.gz NLTCGOGSCXBIMP-VIFPVBQESA-N -1 3 392.246 3.823 20 30 GHEDHM C=CCn1c(C)cc(C(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c1C ZINC000738294038 865522829 /nfs/dbraw/zinc/52/28/29/865522829.db2.gz BPSMOEWZASOQID-UHFFFAOYSA-N -1 3 376.456 3.917 20 30 GHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000920384384 882076639 /nfs/dbraw/zinc/07/66/39/882076639.db2.gz ZZUZPRPVBGQFOQ-UHFFFAOYSA-N -1 3 389.496 3.660 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000743044027 867778076 /nfs/dbraw/zinc/77/80/76/867778076.db2.gz CVSZBHXMOURWTM-CYBMUJFWSA-N -1 3 385.464 3.924 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(SC(F)F)cc1 ZINC000743448171 868197473 /nfs/dbraw/zinc/19/74/73/868197473.db2.gz BVMKDTWKHPPDLK-UHFFFAOYSA-N -1 3 384.473 3.887 20 30 GHEDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000445707919 868881452 /nfs/dbraw/zinc/88/14/52/868881452.db2.gz UKXZBTARUHWQNB-LLVKDONJSA-N -1 3 388.333 3.832 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2ccc(OCC(=O)OC)cc2)cc(Cl)c1[O-] ZINC000745020817 869239745 /nfs/dbraw/zinc/23/97/45/869239745.db2.gz RZTMWNWPSFSIKS-WTKPLQERSA-N -1 3 390.819 3.892 20 30 GHEDHM N#Cc1cccc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737730172 870654789 /nfs/dbraw/zinc/65/47/89/870654789.db2.gz HAPQCSWICBOXIJ-UHFFFAOYSA-N -1 3 397.394 3.888 20 30 GHEDHM N#Cc1cccc(COC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737730172 870654800 /nfs/dbraw/zinc/65/48/00/870654800.db2.gz HAPQCSWICBOXIJ-UHFFFAOYSA-N -1 3 397.394 3.888 20 30 GHEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000443339050 871303208 /nfs/dbraw/zinc/30/32/08/871303208.db2.gz GHAPLUKZOGCQOC-MFKMUULPSA-N -1 3 380.819 3.859 20 30 GHEDHM Cc1ccc([O-])c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)n1 ZINC000447632004 871999483 /nfs/dbraw/zinc/99/94/83/871999483.db2.gz CFYVQTMBFNCTQD-UHFFFAOYSA-N -1 3 375.432 3.742 20 30 GHEDHM COC(=O)n1ncc(C#N)c1[N-]c1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC001169964501 872058711 /nfs/dbraw/zinc/05/87/11/872058711.db2.gz DNOWACGWQCPDPP-UHFFFAOYSA-N -1 3 394.391 3.924 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[n-]1 ZINC000619446268 872633604 /nfs/dbraw/zinc/63/36/04/872633604.db2.gz CCLDHFYKZXJJJQ-UHFFFAOYSA-N -1 3 390.399 3.811 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c[n-]1 ZINC000619446268 872633609 /nfs/dbraw/zinc/63/36/09/872633609.db2.gz CCLDHFYKZXJJJQ-UHFFFAOYSA-N -1 3 390.399 3.811 20 30 GHEDHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001196550811 873203537 /nfs/dbraw/zinc/20/35/37/873203537.db2.gz CLKVFVYMTOFOKF-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CC(C)c1ccc(-c2cc(C(=O)[N-]c3c(C#N)cnc4c(C#N)cnn43)no2)cc1 ZINC001196742094 873347627 /nfs/dbraw/zinc/34/76/27/873347627.db2.gz CGIWGJCSFHJQOP-UHFFFAOYSA-N -1 3 397.398 3.503 20 30 GHEDHM CCc1cc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC001197292506 873718252 /nfs/dbraw/zinc/71/82/52/873718252.db2.gz PXBXRRLIOUOWKI-UHFFFAOYSA-N -1 3 377.322 3.585 20 30 GHEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c(Cl)c1 ZINC001197717831 873971105 /nfs/dbraw/zinc/97/11/05/873971105.db2.gz OZAQZCQSRFXRPI-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM N#Cc1cc(NC(=O)c2cncn2Cc2cccc(Br)c2)ccc1[O-] ZINC001198349432 874367031 /nfs/dbraw/zinc/36/70/31/874367031.db2.gz YJGGSXKHPDVYIB-UHFFFAOYSA-N -1 3 397.232 3.523 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc[nH]c(=O)c3)cc2)cc1C#N ZINC001201320057 875630865 /nfs/dbraw/zinc/63/08/65/875630865.db2.gz OTDFEJFOQXSYHR-UHFFFAOYSA-N -1 3 381.413 3.560 20 30 GHEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2)nc2ccccc21 ZINC000123032314 882975992 /nfs/dbraw/zinc/97/59/92/882975992.db2.gz MBEMQDPLEQDJJV-MRXNPFEDSA-N -1 3 375.819 3.902 20 30 GHEDHM N#Cc1c2c(sc1NC(=O)COC(=O)c1cc3occc3[n-]1)CCCCC2 ZINC000786031366 876417843 /nfs/dbraw/zinc/41/78/43/876417843.db2.gz MFGMVEPIKFCQEG-UHFFFAOYSA-N -1 3 383.429 3.758 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3nc(C)cc3C)cc2)n1 ZINC000067896757 877600448 /nfs/dbraw/zinc/60/04/48/877600448.db2.gz LWXMVZJERZWBKV-MRXNPFEDSA-N -1 3 394.456 3.612 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)C[C@H](C#N)c2c(Cl)cccc2Cl)[n-]1 ZINC001183101109 912284993 /nfs/dbraw/zinc/28/49/93/912284993.db2.gz QVTQIPXJGKRISQ-SECBINFHSA-N -1 3 381.219 3.529 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)C[C@H](C#N)c2c(Cl)cccc2Cl)c[n-]1 ZINC001183101109 912285014 /nfs/dbraw/zinc/28/50/14/912285014.db2.gz QVTQIPXJGKRISQ-SECBINFHSA-N -1 3 381.219 3.529 20 30 GHEDHM C=CCC(F)(F)c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551078870 883244531 /nfs/dbraw/zinc/24/45/31/883244531.db2.gz DPISLTGLCALQEZ-UHFFFAOYSA-N -1 3 382.168 3.952 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cnc(C2(C)OCCO2)s1 ZINC000859286827 883719089 /nfs/dbraw/zinc/71/90/89/883719089.db2.gz POGHTWZDFPBECM-LBPRGKRZSA-N -1 3 389.502 3.867 20 30 GHEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001275235894 912763818 /nfs/dbraw/zinc/76/38/18/912763818.db2.gz FSSDRRYMVWCQAO-OAHLLOKOSA-N -1 3 383.319 3.993 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000476316647 884413911 /nfs/dbraw/zinc/41/39/11/884413911.db2.gz YCLSYWKCMLHWBP-RYUDHWBXSA-N -1 3 380.819 3.859 20 30 GHEDHM O=C1NCCCN1c1cc(N=Cc2cc(Br)ccc2[O-])ccc1F ZINC000806550657 884802318 /nfs/dbraw/zinc/80/23/18/884802318.db2.gz NGMAUSJQVMVPSC-UHFFFAOYSA-N -1 3 392.228 3.964 20 30 GHEDHM C=C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC001131135086 885953189 /nfs/dbraw/zinc/95/31/89/885953189.db2.gz WPJSTZBGYFERNL-QGZVFWFLSA-N -1 3 391.464 3.987 20 30 GHEDHM Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNc1nc2ccccc2[n-]c1=S ZINC000863128214 886882910 /nfs/dbraw/zinc/88/29/10/886882910.db2.gz HYEUCPYTDMWPQG-UHFFFAOYSA-N -1 3 398.492 3.503 20 30 GHEDHM O=C(CCC(=O)N1CCC[C@H](N(Cc2ccccc2)C2CC2)C1)C1=CC=C[CH]1 ZINC001184244612 913096352 /nfs/dbraw/zinc/09/63/52/913096352.db2.gz WVTWOUXLJPJCBE-QFIPXVFZSA-N -1 3 377.508 3.692 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc(OC)c(OCC(F)F)c(OC)c2)ccc1[O-] ZINC000809153492 887149716 /nfs/dbraw/zinc/14/97/16/887149716.db2.gz VXEONWHHDMVYSI-GQCTYLIASA-N -1 3 394.370 3.958 20 30 GHEDHM CCN(C[C@H](C)C#N)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000053368684 887265274 /nfs/dbraw/zinc/26/52/74/887265274.db2.gz BMQHGMJHYWPNPO-LLVKDONJSA-N -1 3 379.486 3.521 20 30 GHEDHM Cc1ccc(C(=NC([O-])=C(c2c[nH]c3cccc(F)c23)C(F)(F)F)NO)nc1 ZINC001184540910 913273291 /nfs/dbraw/zinc/27/32/91/913273291.db2.gz GNMPMMAIFNNTIJ-OAHLLOKOSA-N -1 3 394.328 3.609 20 30 GHEDHM COc1ccc(C=NN[C@H](C)COc2ccccc2)c(Br)c1[O-] ZINC000811665719 889853453 /nfs/dbraw/zinc/85/34/53/889853453.db2.gz SRHTYAGZUANQST-GFCCVEGCSA-N -1 3 379.254 3.554 20 30 GHEDHM Fc1ccc(C=CC=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000747747328 890016538 /nfs/dbraw/zinc/01/65/38/890016538.db2.gz RCUSUHKKCQLBNU-CSWAXBASSA-N -1 3 382.420 3.766 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(N3CCCC3)n2)cc1 ZINC000870145627 890232855 /nfs/dbraw/zinc/23/28/55/890232855.db2.gz OXJYODYGUCLEPV-MAUKXSAKSA-N -1 3 391.475 3.551 20 30 GHEDHM N#CC(=C([O-])C=Cc1ccsc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000870162564 890236757 /nfs/dbraw/zinc/23/67/57/890236757.db2.gz JPTCCFSJIMQQAH-BTDICHCPSA-N -1 3 380.395 3.974 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1-c1ccccc1 ZINC000916909543 890408051 /nfs/dbraw/zinc/40/80/51/890408051.db2.gz MJXWIDHTPXQJJH-OAHLLOKOSA-N -1 3 378.819 3.795 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1ccccc1F ZINC000917505714 892103542 /nfs/dbraw/zinc/10/35/42/892103542.db2.gz PNMDNKYUEDFUAA-KVPUOBJLSA-N -1 3 382.391 3.552 20 30 GHEDHM O=c1ncccn1Cc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000917559815 892168805 /nfs/dbraw/zinc/16/88/05/892168805.db2.gz WFIWDRYJDIUCCN-UHFFFAOYSA-N -1 3 384.233 3.510 20 30 GHEDHM N#Cc1cccc(COc2cccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)c2)c1 ZINC000917600977 892266406 /nfs/dbraw/zinc/26/64/06/892266406.db2.gz JSXFVGPUVFDJPV-HMAPJEAMSA-N -1 3 395.418 3.860 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2sccc2C#N)c(C(=O)OCC)c1C ZINC000497988834 892922271 /nfs/dbraw/zinc/92/22/71/892922271.db2.gz NSSYEOUBIURYDM-UHFFFAOYSA-N -1 3 392.458 3.595 20 30 GHEDHM COC(=O)c1cc(C(=O)OC2CCC(Nc3ccc(C#N)cc3C)CC2)c[n-]1 ZINC000815995981 894378392 /nfs/dbraw/zinc/37/83/92/894378392.db2.gz QYTNLGMRBBPJDE-UHFFFAOYSA-N -1 3 381.432 3.562 20 30 GHEDHM [O-]c1ccc(F)c(CN2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1F ZINC000816481743 894850758 /nfs/dbraw/zinc/85/07/58/894850758.db2.gz HGBZPRUPSVXOHV-UHFFFAOYSA-N -1 3 394.290 3.688 20 30 GHEDHM CCCc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1cccc(F)c1 ZINC000565055686 895371202 /nfs/dbraw/zinc/37/12/02/895371202.db2.gz YOJUWWUOTVIJQW-UHFFFAOYSA-N -1 3 378.473 3.645 20 30 GHEDHM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c12 ZINC000041561236 896408860 /nfs/dbraw/zinc/40/88/60/896408860.db2.gz SPMLLHKMYWCODM-SFHVURJKSA-N -1 3 396.454 3.841 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccc(Cl)c1)C(F)F ZINC000882733997 896942102 /nfs/dbraw/zinc/94/21/02/896942102.db2.gz PTWAWXCNOIRTED-QGZVFWFLSA-N -1 3 393.821 3.984 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1F ZINC000819772331 896952417 /nfs/dbraw/zinc/95/24/17/896952417.db2.gz CXSPVCVYDPYOCV-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000820186538 897221050 /nfs/dbraw/zinc/22/10/50/897221050.db2.gz YVIUYBRQPZOALH-SSDOTTSWSA-N -1 3 379.652 3.581 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000109489510 898465525 /nfs/dbraw/zinc/46/55/25/898465525.db2.gz WAGAHZDDRUBXJF-UHFFFAOYSA-N -1 3 388.349 3.717 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H](OC(=O)c3cc(Cl)c(Cl)[n-]3)C2=O)cc1 ZINC000778765752 899501681 /nfs/dbraw/zinc/50/16/81/899501681.db2.gz AOUICWONRXMEFT-AWEZNQCLSA-N -1 3 378.215 3.546 20 30 GHEDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824515944 899652961 /nfs/dbraw/zinc/65/29/61/899652961.db2.gz USMAQLPPBXHGPO-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824515944 899652970 /nfs/dbraw/zinc/65/29/70/899652970.db2.gz USMAQLPPBXHGPO-OAHLLOKOSA-N -1 3 394.438 3.896 20 30 GHEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000332694505 899856218 /nfs/dbraw/zinc/85/62/18/899856218.db2.gz RVSTXCBZSRWKJD-GFCCVEGCSA-N -1 3 396.672 3.612 20 30 GHEDHM CCCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC ZINC000825338543 900103159 /nfs/dbraw/zinc/10/31/59/900103159.db2.gz CAZQDTCTFOLISV-YWEYNIOJSA-N -1 3 382.395 3.699 20 30 GHEDHM CCCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC ZINC000825338543 900103170 /nfs/dbraw/zinc/10/31/70/900103170.db2.gz CAZQDTCTFOLISV-YWEYNIOJSA-N -1 3 382.395 3.699 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000060949529 900930596 /nfs/dbraw/zinc/93/05/96/900930596.db2.gz OKJRIFUOKVWBSS-UHFFFAOYSA-N -1 3 394.500 3.637 20 30 GHEDHM O=C(/C=C/c1ccc([O-])cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000844549423 901007608 /nfs/dbraw/zinc/00/76/08/901007608.db2.gz ORPWBGAVAMZTOI-YRNVUSSQSA-N -1 3 389.448 3.602 20 30 GHEDHM CC[C@H](OCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000845085915 901737942 /nfs/dbraw/zinc/73/79/42/901737942.db2.gz BWZIWCTWRKULKU-FQEVSTJZSA-N -1 3 382.460 3.919 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCN(Cc3c(F)cc([O-])cc3F)CC2)CC1 ZINC001144541914 902350298 /nfs/dbraw/zinc/35/02/98/902350298.db2.gz MNGJFZGRCOOZDF-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC000264163718 902884707 /nfs/dbraw/zinc/88/47/07/902884707.db2.gz MPRXTPVCWQQHMN-UHFFFAOYSA-N -1 3 398.488 3.621 20 30 GHEDHM Cc1cnn(Cc2cc(C(=O)[N-]c3ccccc3S[C@@H](C)CC#N)no2)c1 ZINC000132849152 903317917 /nfs/dbraw/zinc/31/79/17/903317917.db2.gz PHWGAEDDNLMLOY-AWEZNQCLSA-N -1 3 381.461 3.874 20 30 GHEDHM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc2ccccc2n1 ZINC000048858334 904222690 /nfs/dbraw/zinc/22/26/90/904222690.db2.gz GQHIUWHBWIVAHN-SFHVURJKSA-N -1 3 383.367 3.819 20 30 GHEDHM COC(=O)c1scc(C#N)c1NC(=O)c1cc(-n2c(C)ccc2C)ccc1[O-] ZINC001186831214 914840865 /nfs/dbraw/zinc/84/08/65/914840865.db2.gz ZBKNFWDMDCFTEH-UHFFFAOYSA-N -1 3 395.440 3.772 20 30 GHEDHM Cc1cccnc1[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000889892955 904824850 /nfs/dbraw/zinc/82/48/50/904824850.db2.gz ORJCMHPDZUCZDV-FQEVSTJZSA-N -1 3 380.492 3.815 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000174694929 905324360 /nfs/dbraw/zinc/32/43/60/905324360.db2.gz KXTMZYVGSSCXRW-RBZFPXEDSA-N -1 3 381.451 3.545 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000777304294 905771727 /nfs/dbraw/zinc/77/17/27/905771727.db2.gz NYQZDQCCKNWDKI-HOCLYGCPSA-N -1 3 380.448 3.522 20 30 GHEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cn4ccnc4s3)s2)cc1 ZINC000190945565 906465799 /nfs/dbraw/zinc/46/57/99/906465799.db2.gz PGQYPGZGLLMXOK-UHFFFAOYSA-N -1 3 398.498 3.664 20 30 GHEDHM COc1cc(/C=C\C(=O)c2cc3n(n2)CCCC3)cc(Br)c1[O-] ZINC000901560499 921359377 /nfs/dbraw/zinc/35/93/77/921359377.db2.gz FLQODDNLCQZMAP-WAYWQWQTSA-N -1 3 377.238 3.592 20 30 GHEDHM COC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000192927154 908019063 /nfs/dbraw/zinc/01/90/63/908019063.db2.gz OJXVDBUQZOBTNZ-HNNXBMFYSA-N -1 3 385.272 3.531 20 30 GHEDHM Cc1nc(-c2ncccn2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193375331 908311730 /nfs/dbraw/zinc/31/17/30/908311730.db2.gz ZSOGAZKAVOLOQF-ZDUSSCGKSA-N -1 3 397.847 3.523 20 30 GHEDHM C[C@@H](Nc1ccc(C#N)c(Br)c1F)c1nc(C(F)(F)F)n[n-]1 ZINC001187733019 915460131 /nfs/dbraw/zinc/46/01/31/915460131.db2.gz NVWJQFDAFPHLCZ-RXMQYKEDSA-N -1 3 378.127 3.770 20 30 GHEDHM CSc1ncc(Br)c(C(=O)[N-]c2sc3c(c2C#N)CCC3)n1 ZINC001188449990 915974623 /nfs/dbraw/zinc/97/46/23/915974623.db2.gz JNTFGGNDHPUMFW-UHFFFAOYSA-N -1 3 395.307 3.635 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1C(F)(F)F ZINC001189455039 916660712 /nfs/dbraw/zinc/66/07/12/916660712.db2.gz XSNTWTQFSVPWPF-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)s1 ZINC001189772391 916907145 /nfs/dbraw/zinc/90/71/45/916907145.db2.gz SYQACFNTFDXZPT-UHFFFAOYSA-N -1 3 391.699 3.514 20 30 GHEDHM N#CC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCCCC1 ZINC001189760648 916930558 /nfs/dbraw/zinc/93/05/58/916930558.db2.gz ZITZLILORZCYHF-UHFFFAOYSA-N -1 3 391.718 3.997 20 30 GHEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001189864028 916963835 /nfs/dbraw/zinc/96/38/35/916963835.db2.gz UFBMKAVHASRJOB-CYBMUJFWSA-N -1 3 399.335 3.653 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c(F)c1F ZINC001189982786 917043130 /nfs/dbraw/zinc/04/31/30/917043130.db2.gz YXYBGORWBZRECK-UHFFFAOYSA-N -1 3 380.269 3.795 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3Cl)CC2)c1 ZINC001190668798 917457856 /nfs/dbraw/zinc/45/78/56/917457856.db2.gz ACIMURNVGSDZFB-UHFFFAOYSA-N -1 3 385.247 3.972 20 30 GHEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccnc2Cl)CC1 ZINC001190766267 917551758 /nfs/dbraw/zinc/55/17/58/917551758.db2.gz JKLOTMIEPVJFMB-UHFFFAOYSA-N -1 3 391.880 3.838 20 30 GHEDHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)c1 ZINC001190969458 917672850 /nfs/dbraw/zinc/67/28/50/917672850.db2.gz AOQXGKWUQMSUGK-UHFFFAOYSA-N -1 3 399.255 3.843 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000363052730 917687931 /nfs/dbraw/zinc/68/79/31/917687931.db2.gz DNZZCYIVIBOCSN-DNVCBOLYSA-N -1 3 377.488 3.861 20 30 GHEDHM COC(=O)CN(CC#Cc1cccc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC001191681793 918111386 /nfs/dbraw/zinc/11/13/86/918111386.db2.gz IIZBLBOUKPTFOM-UHFFFAOYSA-N -1 3 378.255 3.726 20 30 GHEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 ZINC000297656320 919545831 /nfs/dbraw/zinc/54/58/31/919545831.db2.gz CGRWAIBAQOCRAG-NXEZZACHSA-N -1 3 396.472 3.706 20 30 GHEDHM CCCCc1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000007674038 919740419 /nfs/dbraw/zinc/74/04/19/919740419.db2.gz HVAGDGRZZNSKCP-UHFFFAOYSA-N -1 3 394.471 3.565 20 30 GHEDHM Cc1nc2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)ccc2c(=O)[nH]1 ZINC000900096624 919839549 /nfs/dbraw/zinc/83/95/49/919839549.db2.gz KLPMKTFAWQVOJS-UHFFFAOYSA-N -1 3 378.215 3.982 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000298282921 920366888 /nfs/dbraw/zinc/36/68/88/920366888.db2.gz GXUPZVKNXNFZSQ-UHFFFAOYSA-N -1 3 376.416 3.866 20 30 GHEDHM O=C(c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)N([O-])Cc1ccc(F)cc1 ZINC000901373045 921049646 /nfs/dbraw/zinc/04/96/46/921049646.db2.gz RWJWDDOQIYFWBB-UHFFFAOYSA-N -1 3 387.361 3.810 20 30 GHEDHM CC(C)(C)OC(=O)NC[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374925 921051483 /nfs/dbraw/zinc/05/14/83/921051483.db2.gz XCRLXTZEDJIPRC-SFHVURJKSA-N -1 3 388.439 3.852 20 30 GHEDHM C=CCOc1c(Br)cc(CN2CCCCC[C@@H]2C(=O)[O-])cc1OC ZINC000902039002 921830861 /nfs/dbraw/zinc/83/08/61/921830861.db2.gz HSAHUYUEOMKUPA-OAHLLOKOSA-N -1 3 398.297 3.852 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)C(CC)CC)ccc1F ZINC000748573679 923733856 /nfs/dbraw/zinc/73/38/56/923733856.db2.gz PKWUSCOGSPRNSD-UHFFFAOYSA-N -1 3 384.517 3.577 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Cl)cc(Cl)c1F ZINC000826954549 924420510 /nfs/dbraw/zinc/42/05/10/924420510.db2.gz PAXAXUNESSWVDU-UHFFFAOYSA-N -1 3 396.249 3.971 20 30 GHEDHM N#Cc1ccc(CSCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000467720440 929338196 /nfs/dbraw/zinc/33/81/96/929338196.db2.gz OEUDLFVXTYIHOS-UHFFFAOYSA-N -1 3 384.411 3.520 20 30 GHEDHM C#CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCCC1 ZINC000780635143 930564762 /nfs/dbraw/zinc/56/47/62/930564762.db2.gz VNPAZVMJFSHXIP-QFIPXVFZSA-N -1 3 390.483 3.658 20 30 GHEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Br)c1 ZINC000547305201 930900171 /nfs/dbraw/zinc/90/01/71/930900171.db2.gz RNJNNGHGJGESBR-UHFFFAOYSA-N -1 3 383.242 3.878 20 30 GHEDHM CCOc1cc(C=CC(=O)c2ccc(N3CCNC3=O)cc2)cc(Cl)c1[O-] ZINC000782364985 931191795 /nfs/dbraw/zinc/19/17/95/931191795.db2.gz FIJFDYAEHHRQTN-FPYGCLRLSA-N -1 3 386.835 3.870 20 30 GHEDHM CC[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1cccc(C#N)c1[O-] ZINC000924589053 931433070 /nfs/dbraw/zinc/43/30/70/931433070.db2.gz XANTXYCRTDKVFK-CQSZACIVSA-N -1 3 375.354 3.566 20 30 GHEDHM Fc1cc(Cl)ccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000783510412 931568788 /nfs/dbraw/zinc/56/87/88/931568788.db2.gz ZZRCTNZSAGVFLV-OAHLLOKOSA-N -1 3 390.827 3.754 20 30 GHEDHM C#CC[C@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(C)(C)C ZINC000796846234 932086997 /nfs/dbraw/zinc/08/69/97/932086997.db2.gz MZHAOSWBKDASST-AWEZNQCLSA-N -1 3 391.411 3.672 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000798131176 932542076 /nfs/dbraw/zinc/54/20/76/932542076.db2.gz UKRAFDKAJFRWIT-UHFFFAOYSA-N -1 3 387.852 3.505 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Oc3ccccc3)cn2)c1 ZINC000799602351 933059388 /nfs/dbraw/zinc/05/93/88/933059388.db2.gz OKFIRUNUZHIDDT-LJQANCHMSA-N -1 3 387.395 3.844 20 30 GHEDHM CC(C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(C(C)(C)C)c1 ZINC001115861066 933224605 /nfs/dbraw/zinc/22/46/05/933224605.db2.gz PUVIQSXOFHRACU-UHFFFAOYSA-N -1 3 399.520 3.771 20 30 GHEDHM CC(C)(C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(F)cc(C#N)c1 ZINC000560557446 933340290 /nfs/dbraw/zinc/34/02/90/933340290.db2.gz KVAQPEMOROZXPD-UHFFFAOYSA-N -1 3 384.361 3.704 20 30 GHEDHM C#CCN(C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCc2ccccc21 ZINC001573281832 946681714 /nfs/dbraw/zinc/68/17/14/946681714.db2.gz CDOFOUBLWCQDQY-VGOFRKELSA-N -1 3 399.498 3.585 20 30 GHEDHM C#CCN(C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC001573281832 946681722 /nfs/dbraw/zinc/68/17/22/946681722.db2.gz CDOFOUBLWCQDQY-VGOFRKELSA-N -1 3 399.498 3.585 20 30 GHEDHM C=CC[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1Br)c1ccccc1 ZINC001573319435 947331855 /nfs/dbraw/zinc/33/18/55/947331855.db2.gz NWWCYRAGXVJZHR-CYBMUJFWSA-N -1 3 398.264 3.928 20 30 GHEDHM C=CC[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1Br)c1ccccc1 ZINC001573319435 947331870 /nfs/dbraw/zinc/33/18/70/947331870.db2.gz NWWCYRAGXVJZHR-CYBMUJFWSA-N -1 3 398.264 3.928 20 30 GHEDHM C=CCCC(C)(C)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001573328215 947404389 /nfs/dbraw/zinc/40/43/89/947404389.db2.gz SHRGETZQLNPASR-UHFFFAOYSA-N -1 3 391.475 3.920 20 30 GHEDHM C=CCCC(C)(C)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001573328215 947404394 /nfs/dbraw/zinc/40/43/94/947404394.db2.gz SHRGETZQLNPASR-UHFFFAOYSA-N -1 3 391.475 3.920 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001595009130 982932493 /nfs/dbraw/zinc/93/24/93/982932493.db2.gz FKRQCSSGESCBSI-SJKOYZFVSA-N -1 3 382.391 3.999 20 30 GHEDHM CN(Cc1ccc(C#N)c(F)c1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598520119 992669905 /nfs/dbraw/zinc/66/99/05/992669905.db2.gz YWKIMORMBUBGSD-MRXNPFEDSA-N -1 3 377.213 3.718 20 30 GHEDHM N#CCCCN1CC2(CCC1=O)CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001277155186 1032128310 /nfs/dbraw/zinc/12/83/10/1032128310.db2.gz PYHFCWRIOLVYNP-UHFFFAOYSA-N -1 3 375.900 3.554 20 30 GHEDHM N#Cc1ccc(Cc2cnc([N-]C(=O)c3cc(-c4ccccn4)no3)s2)cc1 ZINC000468572259 1015815120 /nfs/dbraw/zinc/81/51/20/1015815120.db2.gz TVMARNFHHDMEQF-UHFFFAOYSA-N -1 3 387.424 3.908 20 30 GHEDHM N#Cc1ccc2[n-]c(C(=O)N[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3c3ccccc3)cc(=O)c2c1 ZINC001154560464 1032182474 /nfs/dbraw/zinc/18/24/74/1032182474.db2.gz KNXHJRFJWSHMRE-QOKUDNMUSA-N -1 3 383.451 3.712 20 30 GHEDHM N#Cc1cnc(NCCCc2c[n-][nH]c2=O)c2cc(-c3ccccc3)sc21 ZINC001156280239 1032955698 /nfs/dbraw/zinc/95/56/98/1032955698.db2.gz ZJLOKGFVFLIONS-AWEZNQCLSA-N -1 3 375.457 3.759 20 30 GHEDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(C#N)c3)nc(=O)c2c1C ZINC000834747676 1021435812 /nfs/dbraw/zinc/43/58/12/1021435812.db2.gz IIVWEVUZKRKDNL-KPKJPENVSA-N -1 3 385.832 3.688 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cnc(C2CC2)nc1 ZINC000835062777 1021836617 /nfs/dbraw/zinc/83/66/17/1021836617.db2.gz XDTZCLRUSNWNNE-AWEZNQCLSA-N -1 3 388.399 3.630 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)C)n1 ZINC000835063557 1021841643 /nfs/dbraw/zinc/84/16/43/1021841643.db2.gz MCMHCPXSQQXIMG-ZDUSSCGKSA-N -1 3 388.855 3.704 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3ccc([O-])c(F)c3F)C2)CC1 ZINC001140889418 1022806312 /nfs/dbraw/zinc/80/63/12/1022806312.db2.gz DYEGWULMOHKSQE-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM COc1ncnc2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc21 ZINC001163765252 1026307770 /nfs/dbraw/zinc/30/77/70/1026307770.db2.gz AYIVNUJOVBLSSW-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3c2ccc(F)c3Br)c1[O-] ZINC000840710391 1027749912 /nfs/dbraw/zinc/74/99/12/1027749912.db2.gz RXONIVHPPHPRBI-GIXVCVOKSA-N -1 3 379.229 3.596 20 30 GHEDHM Cc1ccc(N2CCCc3sc(C(=O)[N-]c4ccsc4C#N)nc32)nn1 ZINC001150215550 1030454852 /nfs/dbraw/zinc/45/48/52/1030454852.db2.gz SPXSIZKATGDJEK-UHFFFAOYSA-N -1 3 382.474 3.511 20 30 GHEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CNCCC2(F)F)c1 ZINC001218453506 1030942252 /nfs/dbraw/zinc/94/22/52/1030942252.db2.gz WNTVEKUURILNEB-UCFODXPJSA-N -1 3 389.398 3.673 20 30 GHEDHM C=CC[C@@H]1[C@H](Oc2cc(COC)nc(=S)[n-]2)CCCN1C(=O)OC(C)(C)C ZINC001225938993 1031704168 /nfs/dbraw/zinc/70/41/68/1031704168.db2.gz WGIIDNDYIINIAU-HUUCEWRRSA-N -1 3 395.525 3.635 20 30 GHEDHM C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)ccc1C ZINC001154143968 1031949570 /nfs/dbraw/zinc/94/95/70/1031949570.db2.gz PQBVCXRAXBHMJY-UHFFFAOYSA-N -1 3 398.528 3.844 20 30 GHEDHM N#Cc1c[nH]c2c1cccc2C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157173827 1033448236 /nfs/dbraw/zinc/44/82/36/1033448236.db2.gz OJNLTQFZROAOCX-UHFFFAOYSA-N -1 3 376.803 3.877 20 30 GHEDHM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231224205 1034470576 /nfs/dbraw/zinc/47/05/76/1034470576.db2.gz XGUJGZVNRKQRRT-INIZCTEOSA-N -1 3 398.411 3.780 20 30 GHEDHM C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001231523420 1034675506 /nfs/dbraw/zinc/67/55/06/1034675506.db2.gz TWLOJKASRNMJPZ-LJQANCHMSA-N -1 3 382.426 3.944 20 30 GHEDHM CCc1ccccc1N1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CC1=O ZINC001161807221 1035306391 /nfs/dbraw/zinc/30/63/91/1035306391.db2.gz FIIYNNAIPRUFOL-FQEVSTJZSA-N -1 3 380.488 3.843 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001233798945 1039623938 /nfs/dbraw/zinc/62/39/38/1039623938.db2.gz DFHYWUASQSBSDC-MCRMKUCXSA-N -1 3 376.453 3.813 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccccc2Cl)cc1C(F)(F)F ZINC001260690154 1045609617 /nfs/dbraw/zinc/60/96/17/1045609617.db2.gz NDFFRTURADHPKK-UHFFFAOYSA-N -1 3 375.759 3.567 20 30 GHEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001260886384 1045742709 /nfs/dbraw/zinc/74/27/09/1045742709.db2.gz BSRNZPBJIQOQET-GFCCVEGCSA-N -1 3 384.217 3.548 20 30 GHEDHM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001260944538 1045781788 /nfs/dbraw/zinc/78/17/88/1045781788.db2.gz HUIQTWKXSZZFIR-RKDXNWHRSA-N -1 3 379.297 3.893 20 30 GHEDHM C[C@]1(C(=O)N([O-])Cc2ccccc2Cl)CC1(Br)Br ZINC001306895067 1048930724 /nfs/dbraw/zinc/93/07/24/1048930724.db2.gz VUPDHSUSDATWEX-LLVKDONJSA-N -1 3 397.494 3.954 20 30 GHEDHM C[C@@H](CC(=O)N([O-])CCCCc1ccccc1)n1cc(Br)cn1 ZINC001306895901 1048949566 /nfs/dbraw/zinc/94/95/66/1048949566.db2.gz AJFAFWPDLXSUDE-AWEZNQCLSA-N -1 3 380.286 3.837 20 30 GHEDHM CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898658 1048950561 /nfs/dbraw/zinc/95/05/61/1048950561.db2.gz MDIPIQKRWGHLLX-SJORKVTESA-N -1 3 378.444 3.722 20 30 GHEDHM Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001306901253 1048952309 /nfs/dbraw/zinc/95/23/09/1048952309.db2.gz YKKRGRXYCNINLJ-AWEZNQCLSA-N -1 3 376.453 3.612 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCO2)c1[O-] ZINC001343340136 1053712972 /nfs/dbraw/zinc/71/29/72/1053712972.db2.gz GJWQDFMSGLPBCZ-FUHWJXTLSA-N -1 3 395.507 3.544 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001343406238 1053754242 /nfs/dbraw/zinc/75/42/42/1053754242.db2.gz TWSVHHOPNJUEIF-SFHVURJKSA-N -1 3 376.464 3.667 20 30 GHEDHM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C([O-])=C(C#N)c3nccn3C)c12 ZINC001343717627 1053984265 /nfs/dbraw/zinc/98/42/65/1053984265.db2.gz RNTQLRLYFJGYLO-HNNXBMFYSA-N -1 3 378.480 3.842 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@@H]3CCC[C@H]3C#N)n2CCOC)c1[O-] ZINC001354942485 1056990907 /nfs/dbraw/zinc/99/09/07/1056990907.db2.gz AASOSAPUPHCMIJ-PKOBYXMFSA-N -1 3 395.507 3.544 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001356264911 1057452453 /nfs/dbraw/zinc/45/24/53/1057452453.db2.gz GXKCMYMOUZTVGN-KRWDZBQOSA-N -1 3 395.459 3.625 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC4(C3)CCOCC4)n2CC)c1[O-] ZINC001339651568 1059369239 /nfs/dbraw/zinc/36/92/39/1059369239.db2.gz MTKJXKLXBSIOAP-UHFFFAOYSA-N -1 3 382.508 3.796 20 30 GHEDHM CSc1cccc(N2C[C@@H](C(=O)N([O-])Cc3ccccc3Cl)CC2=O)c1 ZINC001458003585 1063501111 /nfs/dbraw/zinc/50/11/11/1063501111.db2.gz QIOIDZIHGVVSKZ-AWEZNQCLSA-N -1 3 390.892 3.833 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H](CC(=O)N([O-])CCCCc1ccccc1)C(F)F ZINC001458006863 1063504222 /nfs/dbraw/zinc/50/42/22/1063504222.db2.gz BONPMZFJZDKLNN-HNNXBMFYSA-N -1 3 386.439 3.776 20 30 GHEDHM C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1ccc(C#N)cc1 ZINC001349973195 1063956146 /nfs/dbraw/zinc/95/61/46/1063956146.db2.gz NWBZGWNMRBOATO-SNVBAGLBSA-N -1 3 380.192 3.685 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)c1ccc(N(C)C)cc1 ZINC001463551282 1064453917 /nfs/dbraw/zinc/45/39/17/1064453917.db2.gz FWRZGTIASMWZSY-CYBMUJFWSA-N -1 3 385.514 3.878 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)ccc1F ZINC001353260705 1065813305 /nfs/dbraw/zinc/81/33/05/1065813305.db2.gz FPZKHWOHAXHASH-WBVHZDCISA-N -1 3 396.528 3.625 20 30 GHEDHM C[C@H](CCCc1ccccc1)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001472618917 1073579113 /nfs/dbraw/zinc/57/91/13/1073579113.db2.gz OMOZGWLJVQJFQB-QGZVFWFLSA-N -1 3 394.471 3.550 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CC2)c(F)c1 ZINC001475089504 1074732842 /nfs/dbraw/zinc/73/28/42/1074732842.db2.gz UMECKMPEBLOWCY-UHFFFAOYSA-N -1 3 385.247 3.972 20 30 GHEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC001475201437 1074782819 /nfs/dbraw/zinc/78/28/19/1074782819.db2.gz VUFUONANVORYCR-QGZVFWFLSA-N -1 3 380.485 3.549 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737710019 598914644 /nfs/dbraw/zinc/91/46/44/598914644.db2.gz UERBNXLTDROLAT-UHFFFAOYSA-N -1 3 380.411 3.581 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737710019 598914645 /nfs/dbraw/zinc/91/46/45/598914645.db2.gz UERBNXLTDROLAT-UHFFFAOYSA-N -1 3 380.411 3.581 20 30 GHEDHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737318813 598928734 /nfs/dbraw/zinc/92/87/34/598928734.db2.gz XYOUZJHFDQKPHP-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737318813 598928735 /nfs/dbraw/zinc/92/87/35/598928735.db2.gz XYOUZJHFDQKPHP-CQSZACIVSA-N -1 3 390.447 3.576 20 30 GHEDHM COc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1OC(C)C ZINC000821864106 599115932 /nfs/dbraw/zinc/11/59/32/599115932.db2.gz UAXIYNATIFCZFD-QINSGFPZSA-N -1 3 390.443 3.875 20 30 GHEDHM COc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1OC(C)C ZINC000821864106 599115934 /nfs/dbraw/zinc/11/59/34/599115934.db2.gz UAXIYNATIFCZFD-QINSGFPZSA-N -1 3 390.443 3.875 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819758887 599143033 /nfs/dbraw/zinc/14/30/33/599143033.db2.gz IYXIIZMCJWEGDX-UHFFFAOYSA-N -1 3 379.420 3.580 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819758887 599143035 /nfs/dbraw/zinc/14/30/35/599143035.db2.gz IYXIIZMCJWEGDX-UHFFFAOYSA-N -1 3 379.420 3.580 20 30 GHEDHM CC(=NNc1cc(C)cc(C)c1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451162 599148425 /nfs/dbraw/zinc/14/84/25/599148425.db2.gz QUYCINZINKWTOT-UHFFFAOYSA-N -1 3 386.463 3.814 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1-c1nnn[n-]1 ZINC000737080747 599153080 /nfs/dbraw/zinc/15/30/80/599153080.db2.gz HFZYQEGCDIDWBK-JXMROGBWSA-N -1 3 386.411 3.933 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1-c1nn[n-]n1 ZINC000737080747 599153083 /nfs/dbraw/zinc/15/30/83/599153083.db2.gz HFZYQEGCDIDWBK-JXMROGBWSA-N -1 3 386.411 3.933 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)s2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737201647 599157427 /nfs/dbraw/zinc/15/74/27/599157427.db2.gz FQDSQZFYIZKTRG-VURMDHGXSA-N -1 3 396.863 3.972 20 30 GHEDHM Cc1c(C(=O)C=Cc2c(F)cccc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202478 599157715 /nfs/dbraw/zinc/15/77/15/599157715.db2.gz MUKJBJPDMVAAFU-MDZDMXLPSA-N -1 3 392.369 3.535 20 30 GHEDHM Cn1nc(-c2ccccc2)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000737619586 599158592 /nfs/dbraw/zinc/15/85/92/599158592.db2.gz WFKYCLAJYUCJIO-ZHACJKMWSA-N -1 3 390.834 3.817 20 30 GHEDHM Cn1nc(-c2ccccc2)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000737619586 599158596 /nfs/dbraw/zinc/15/85/96/599158596.db2.gz WFKYCLAJYUCJIO-ZHACJKMWSA-N -1 3 390.834 3.817 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000735418996 599184026 /nfs/dbraw/zinc/18/40/26/599184026.db2.gz NYHSPYADWYCPDL-AWEZNQCLSA-N -1 3 381.867 3.838 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000735418996 599184027 /nfs/dbraw/zinc/18/40/27/599184027.db2.gz NYHSPYADWYCPDL-AWEZNQCLSA-N -1 3 381.867 3.838 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819758619 599219888 /nfs/dbraw/zinc/21/98/88/599219888.db2.gz BWHLZVFIEBELBL-UHFFFAOYSA-N -1 3 397.410 3.719 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819758619 599219890 /nfs/dbraw/zinc/21/98/90/599219890.db2.gz BWHLZVFIEBELBL-UHFFFAOYSA-N -1 3 397.410 3.719 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000735451201 598313750 /nfs/dbraw/zinc/31/37/50/598313750.db2.gz STRBVBGZFMWAQD-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000735451201 598313752 /nfs/dbraw/zinc/31/37/52/598313752.db2.gz STRBVBGZFMWAQD-UHFFFAOYSA-N -1 3 382.296 4.000 20 30 GHEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1SC ZINC000737041266 598377383 /nfs/dbraw/zinc/37/73/83/598377383.db2.gz IWCXPTSCEJYSPM-VURMDHGXSA-N -1 3 395.488 3.549 20 30 GHEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1SC ZINC000737041266 598377385 /nfs/dbraw/zinc/37/73/85/598377385.db2.gz IWCXPTSCEJYSPM-VURMDHGXSA-N -1 3 395.488 3.549 20 30 GHEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(C(C)(C)C)cc1 ZINC000736191815 598568880 /nfs/dbraw/zinc/56/88/80/598568880.db2.gz ITRZUSRUTVUALU-NSHDSACASA-N -1 3 379.493 3.866 20 30 GHEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(C(C)(C)C)cc1 ZINC000736191815 598568882 /nfs/dbraw/zinc/56/88/82/598568882.db2.gz ITRZUSRUTVUALU-NSHDSACASA-N -1 3 379.493 3.866 20 30 GHEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735390725 598591491 /nfs/dbraw/zinc/59/14/91/598591491.db2.gz DGFDPTBLRICLAM-OUKQBFOZSA-N -1 3 395.422 3.688 20 30 GHEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735390725 598591493 /nfs/dbraw/zinc/59/14/93/598591493.db2.gz DGFDPTBLRICLAM-OUKQBFOZSA-N -1 3 395.422 3.688 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)cc1 ZINC000521963008 598644298 /nfs/dbraw/zinc/64/42/98/598644298.db2.gz AFCNRLJWVPSELK-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2)cc1 ZINC000521963008 598644301 /nfs/dbraw/zinc/64/43/01/598644301.db2.gz AFCNRLJWVPSELK-UHFFFAOYSA-N -1 3 396.410 3.977 20 30 GHEDHM CC(C)CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000735819519 598651247 /nfs/dbraw/zinc/65/12/47/598651247.db2.gz XBTIZAKLELFXNJ-UHFFFAOYSA-N -1 3 392.488 3.520 20 30 GHEDHM CC(C)CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000735819519 598651248 /nfs/dbraw/zinc/65/12/48/598651248.db2.gz XBTIZAKLELFXNJ-UHFFFAOYSA-N -1 3 392.488 3.520 20 30 GHEDHM N#CC1(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCCCC1 ZINC000737678687 599568188 /nfs/dbraw/zinc/56/81/88/599568188.db2.gz LOGSFACFEIOKMP-UHFFFAOYSA-N -1 3 387.447 3.567 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)c(F)c1 ZINC000822922839 607462031 /nfs/dbraw/zinc/46/20/31/607462031.db2.gz KRWQPYPJBLWADJ-XQRVVYSFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)c(F)c1 ZINC000822922839 607462033 /nfs/dbraw/zinc/46/20/33/607462033.db2.gz KRWQPYPJBLWADJ-XQRVVYSFSA-N -1 3 391.175 3.804 20 30 GHEDHM Cc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822161598 607464817 /nfs/dbraw/zinc/46/48/17/607464817.db2.gz QRXKWLCJRPKJHS-UHFFFAOYSA-N -1 3 375.205 3.523 20 30 GHEDHM Cc1cc(Br)ccc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822161598 607464819 /nfs/dbraw/zinc/46/48/19/607464819.db2.gz QRXKWLCJRPKJHS-UHFFFAOYSA-N -1 3 375.205 3.523 20 30 GHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000832825131 601305398 /nfs/dbraw/zinc/30/53/98/601305398.db2.gz MEGKJPUMTJDVBW-HWPZZCPQSA-N -1 3 377.213 3.936 20 30 GHEDHM COc1ccc(CNc2ccccc2S[C@@H](C)CC#N)cc1-c1nnn[n-]1 ZINC000826204048 607550798 /nfs/dbraw/zinc/55/07/98/607550798.db2.gz USZZHKNAGFIKDE-ZDUSSCGKSA-N -1 3 380.477 3.882 20 30 GHEDHM COc1ccc(CNc2ccccc2S[C@@H](C)CC#N)cc1-c1nn[n-]n1 ZINC000826204048 607550799 /nfs/dbraw/zinc/55/07/99/607550799.db2.gz USZZHKNAGFIKDE-ZDUSSCGKSA-N -1 3 380.477 3.882 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)ccc1-c1nnn[n-]1 ZINC000822823268 606186341 /nfs/dbraw/zinc/18/63/41/606186341.db2.gz OAVFGWVTOYTESP-UHFFFAOYSA-N -1 3 399.389 3.555 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)ccc1-c1nn[n-]n1 ZINC000822823268 606186343 /nfs/dbraw/zinc/18/63/43/606186343.db2.gz OAVFGWVTOYTESP-UHFFFAOYSA-N -1 3 399.389 3.555 20 30 GHEDHM N#Cc1cccc(COc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822837849 606458175 /nfs/dbraw/zinc/45/81/75/606458175.db2.gz VLPHYEFCENGPHH-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1cccc(COc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822837849 606458176 /nfs/dbraw/zinc/45/81/76/606458176.db2.gz VLPHYEFCENGPHH-UHFFFAOYSA-N -1 3 382.427 3.929 20 30 GHEDHM N#Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C2CC2)cc1 ZINC000822825626 606485792 /nfs/dbraw/zinc/48/57/92/606485792.db2.gz JCCNHNBJTILCNR-UHFFFAOYSA-N -1 3 396.401 3.504 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)s1 ZINC000822822856 606515320 /nfs/dbraw/zinc/51/53/20/606515320.db2.gz FOROIHFZVRXGLB-UHFFFAOYSA-N -1 3 378.442 3.781 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)s1 ZINC000822822856 606515321 /nfs/dbraw/zinc/51/53/21/606515321.db2.gz FOROIHFZVRXGLB-UHFFFAOYSA-N -1 3 378.442 3.781 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC000822837394 606515738 /nfs/dbraw/zinc/51/57/38/606515738.db2.gz MTDSGIZWMWLIDJ-UHFFFAOYSA-N -1 3 386.440 3.648 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC000822837394 606515739 /nfs/dbraw/zinc/51/57/39/606515739.db2.gz MTDSGIZWMWLIDJ-UHFFFAOYSA-N -1 3 386.440 3.648 20 30 GHEDHM N#Cc1csc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822846134 606562764 /nfs/dbraw/zinc/56/27/64/606562764.db2.gz PLOGJIMEALDUGZ-UHFFFAOYSA-N -1 3 387.424 3.824 20 30 GHEDHM N#Cc1csc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822846134 606562765 /nfs/dbraw/zinc/56/27/65/606562765.db2.gz PLOGJIMEALDUGZ-UHFFFAOYSA-N -1 3 387.424 3.824 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820512959 606867169 /nfs/dbraw/zinc/86/71/69/606867169.db2.gz QRZBZNAGQKEFOX-SNVBAGLBSA-N -1 3 387.321 3.675 20 30 GHEDHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820512959 606867171 /nfs/dbraw/zinc/86/71/71/606867171.db2.gz QRZBZNAGQKEFOX-SNVBAGLBSA-N -1 3 387.321 3.675 20 30 GHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822191188 607037760 /nfs/dbraw/zinc/03/77/60/607037760.db2.gz GSHFCPNWJUMATG-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822191188 607037762 /nfs/dbraw/zinc/03/77/62/607037762.db2.gz GSHFCPNWJUMATG-UHFFFAOYSA-N -1 3 394.357 3.892 20 30 GHEDHM Fc1ccc(-c2nn[n-]n2)c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000822758421 607061626 /nfs/dbraw/zinc/06/16/26/607061626.db2.gz OLFHXFKYZJZQIH-NXEZZACHSA-N -1 3 397.298 3.569 20 30 GHEDHM CCC(CC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820893714 607095344 /nfs/dbraw/zinc/09/53/44/607095344.db2.gz UCGQKHLTIQRMKM-OAHLLOKOSA-N -1 3 380.477 3.993 20 30 GHEDHM CCC(CC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820893714 607095346 /nfs/dbraw/zinc/09/53/46/607095346.db2.gz UCGQKHLTIQRMKM-OAHLLOKOSA-N -1 3 380.477 3.993 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)OCC ZINC000823873123 607885986 /nfs/dbraw/zinc/88/59/86/607885986.db2.gz JAAWIYFXCGYPPR-IBGZPJMESA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)OCC ZINC000823873123 607885987 /nfs/dbraw/zinc/88/59/87/607885987.db2.gz JAAWIYFXCGYPPR-IBGZPJMESA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)OCC ZINC000823874857 607924003 /nfs/dbraw/zinc/92/40/03/607924003.db2.gz ZRKCDSMQOCUFBK-LJQANCHMSA-N -1 3 394.431 3.936 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)OCC ZINC000823874857 607924004 /nfs/dbraw/zinc/92/40/04/607924004.db2.gz ZRKCDSMQOCUFBK-LJQANCHMSA-N -1 3 394.431 3.936 20 30 GHEDHM C#CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)c1ccccc1 ZINC000823837979 607959746 /nfs/dbraw/zinc/95/97/46/607959746.db2.gz JXYVQNIOXARQFX-QGZVFWFLSA-N -1 3 390.447 3.540 20 30 GHEDHM C#CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)c1ccccc1 ZINC000823837979 607959747 /nfs/dbraw/zinc/95/97/47/607959747.db2.gz JXYVQNIOXARQFX-QGZVFWFLSA-N -1 3 390.447 3.540 20 30 GHEDHM COc1nc2ccccc2cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000826221783 608121700 /nfs/dbraw/zinc/12/17/00/608121700.db2.gz UNIMWIDAJMISNN-QINSGFPZSA-N -1 3 383.411 3.636 20 30 GHEDHM COc1nc2ccccc2cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000826221783 608121701 /nfs/dbraw/zinc/12/17/01/608121701.db2.gz UNIMWIDAJMISNN-QINSGFPZSA-N -1 3 383.411 3.636 20 30 GHEDHM CC(C)C[C@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000824227949 608496914 /nfs/dbraw/zinc/49/69/14/608496914.db2.gz CJDHDLPHGNOOME-CQSZACIVSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(C)C[C@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000824227949 608496916 /nfs/dbraw/zinc/49/69/16/608496916.db2.gz CJDHDLPHGNOOME-CQSZACIVSA-N -1 3 392.488 3.686 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2ccccc2c1O ZINC000823958568 608535668 /nfs/dbraw/zinc/53/56/68/608535668.db2.gz QXLYAIJZKPKSHB-UHFFFAOYSA-N -1 3 379.811 3.610 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2ccccc2c1O ZINC000823958568 608535669 /nfs/dbraw/zinc/53/56/69/608535669.db2.gz QXLYAIJZKPKSHB-UHFFFAOYSA-N -1 3 379.811 3.610 20 30 GHEDHM N#Cc1ccc(OC2CCC(Nc3c(Cl)cccc3-c3nnn[n-]3)CC2)nc1 ZINC000826386133 608557455 /nfs/dbraw/zinc/55/74/55/608557455.db2.gz QETKRQWLPSSDBA-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1ccc(OC2CCC(Nc3c(Cl)cccc3-c3nn[n-]n3)CC2)nc1 ZINC000826386133 608557456 /nfs/dbraw/zinc/55/74/56/608557456.db2.gz QETKRQWLPSSDBA-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1sccc1Br ZINC000826400506 608878127 /nfs/dbraw/zinc/87/81/27/608878127.db2.gz AOJGBJUNUVJZCF-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1sccc1Br ZINC000826400506 608878129 /nfs/dbraw/zinc/87/81/29/608878129.db2.gz AOJGBJUNUVJZCF-DUXPYHPUSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403570 609132858 /nfs/dbraw/zinc/13/28/58/609132858.db2.gz WEKUJLSLKHAYCC-QPIMQUGISA-N -1 3 394.797 3.741 20 30 GHEDHM O=C(C=Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403570 609132859 /nfs/dbraw/zinc/13/28/59/609132859.db2.gz WEKUJLSLKHAYCC-QPIMQUGISA-N -1 3 394.797 3.741 20 30 GHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000826266735 609269872 /nfs/dbraw/zinc/26/98/72/609269872.db2.gz ZHLWFKYBKIFUKR-XVNBXDOJSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1Br ZINC000826266735 609269873 /nfs/dbraw/zinc/26/98/73/609269873.db2.gz ZHLWFKYBKIFUKR-XVNBXDOJSA-N -1 3 387.212 3.973 20 30 GHEDHM O=C(C=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401069 609274795 /nfs/dbraw/zinc/27/47/95/609274795.db2.gz OVSXBYOIYRQAMU-FPYGCLRLSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401069 609274796 /nfs/dbraw/zinc/27/47/96/609274796.db2.gz OVSXBYOIYRQAMU-FPYGCLRLSA-N -1 3 392.312 3.843 20 30 GHEDHM Cn1cc(C=CC(=O)c2cccc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359630 609307806 /nfs/dbraw/zinc/30/78/06/609307806.db2.gz MFBXFBYGIVBFHR-KTKRTIGZSA-N -1 3 390.834 3.817 20 30 GHEDHM Cn1cc(C=CC(=O)c2cccc(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359630 609307807 /nfs/dbraw/zinc/30/78/07/609307807.db2.gz MFBXFBYGIVBFHR-KTKRTIGZSA-N -1 3 390.834 3.817 20 30 GHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826293836 609309086 /nfs/dbraw/zinc/30/90/86/609309086.db2.gz CIVYVXUCMFCWEE-LDADJPATSA-N -1 3 396.454 3.788 20 30 GHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826293836 609309088 /nfs/dbraw/zinc/30/90/88/609309088.db2.gz CIVYVXUCMFCWEE-LDADJPATSA-N -1 3 396.454 3.788 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C(C)(C)Cc2ccccc2)no1 ZINC000278337808 834724718 /nfs/dbraw/zinc/72/47/18/834724718.db2.gz YWRRAOJKIVEXEL-UHFFFAOYSA-N -1 3 376.460 3.964 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000130265249 835011646 /nfs/dbraw/zinc/01/16/46/835011646.db2.gz SCXOOWJHNASCRN-LLVKDONJSA-N -1 3 380.516 3.656 20 30 GHEDHM CS(=O)(=O)Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1F ZINC000254965642 835422502 /nfs/dbraw/zinc/42/25/02/835422502.db2.gz PKUXBGHALSPRDR-UHFFFAOYSA-N -1 3 386.242 3.589 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000154286216 835516107 /nfs/dbraw/zinc/51/61/07/835516107.db2.gz HKJICCFGWMGLRP-UHFFFAOYSA-N -1 3 382.489 3.665 20 30 GHEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000509869101 844083400 /nfs/dbraw/zinc/08/34/00/844083400.db2.gz WGWIJUUNDFMUMV-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM [O-]c1ccc(C=NN2C(=S)N=NC2c2ccccc2Br)cc1F ZINC000755565917 835971512 /nfs/dbraw/zinc/97/15/12/835971512.db2.gz IOFVNTLQAJMPLG-UHFFFAOYSA-N -1 3 393.241 3.723 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCO[C@](C)(c3ccc(F)cc3)C2)n1 ZINC001167140349 836552855 /nfs/dbraw/zinc/55/28/55/836552855.db2.gz XPDUNBHQOVVGDF-WZIKDTQPSA-N -1 3 396.875 3.551 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c(C(F)(F)F)c1 ZINC000511362117 836559309 /nfs/dbraw/zinc/55/93/09/836559309.db2.gz OPVQVGBJXICDIO-UHFFFAOYSA-N -1 3 386.317 3.588 20 30 GHEDHM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cs1 ZINC000126253852 844236108 /nfs/dbraw/zinc/23/61/08/844236108.db2.gz PFEBXJQNCKZLRS-HNNXBMFYSA-N -1 3 377.425 3.780 20 30 GHEDHM N#CC(=C([O-])c1ccc(Oc2ccccc2F)nc1)c1nnc2n1CCCCC2 ZINC000659050227 837379704 /nfs/dbraw/zinc/37/97/04/837379704.db2.gz GTZFBGKQPFMYJG-HNNXBMFYSA-N -1 3 391.406 3.821 20 30 GHEDHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1cccc(C#N)c1 ZINC000610362081 838684414 /nfs/dbraw/zinc/68/44/14/838684414.db2.gz KQOMGOGAKDLKCO-LLVKDONJSA-N -1 3 396.244 3.653 20 30 GHEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000416534649 839383039 /nfs/dbraw/zinc/38/30/39/839383039.db2.gz XTYOOYZRCWPZDM-UHFFFAOYSA-N -1 3 399.232 3.686 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541124466 839404628 /nfs/dbraw/zinc/40/46/28/839404628.db2.gz GZCUBHIAHAPEBG-ZDUSSCGKSA-N -1 3 381.457 3.870 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)cc2cccnc21 ZINC000022994136 840746941 /nfs/dbraw/zinc/74/69/41/840746941.db2.gz NYIGYMVFGOHJQN-UHFFFAOYSA-N -1 3 380.835 3.636 20 30 GHEDHM Cc1noc(-c2ccc(C)c(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)n1 ZINC000603827272 861238339 /nfs/dbraw/zinc/23/83/39/861238339.db2.gz IXIVNQQDAGAXQT-UHFFFAOYSA-N -1 3 391.431 3.514 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(Br)cc1 ZINC000432227451 841884103 /nfs/dbraw/zinc/88/41/03/841884103.db2.gz WZIBTJMMEQWNOY-HNNXBMFYSA-N -1 3 381.233 3.828 20 30 GHEDHM CC(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000603836045 861251868 /nfs/dbraw/zinc/25/18/68/861251868.db2.gz DTOBCJCYWYCSBF-FQEVSTJZSA-N -1 3 381.451 3.677 20 30 GHEDHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc12 ZINC000051655686 843531958 /nfs/dbraw/zinc/53/19/58/843531958.db2.gz QXEFRSXBQZEQRE-ZDUSSCGKSA-N -1 3 380.358 3.512 20 30 GHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)sc2C1 ZINC000603941384 861427791 /nfs/dbraw/zinc/42/77/91/861427791.db2.gz LXXNBWKQKFMSEJ-VIFPVBQESA-N -1 3 385.401 3.634 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1Br ZINC000432773248 843769466 /nfs/dbraw/zinc/76/94/66/843769466.db2.gz CYTWUOQFHDCAQJ-UHFFFAOYSA-N -1 3 377.672 3.836 20 30 GHEDHM C=CCOC(=O)N1CCC[C@]2(CCN(Cc3ccc(Cl)cc3C(=O)[O-])C2)C1 ZINC001142643469 861547837 /nfs/dbraw/zinc/54/78/37/861547837.db2.gz WIQQJSDLVOKWGH-HXUWFJFHSA-N -1 3 392.883 3.649 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000071849801 845609401 /nfs/dbraw/zinc/60/94/01/845609401.db2.gz HRURTXKVFRMENS-QGZVFWFLSA-N -1 3 377.488 3.623 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CSc3ccccc3O2)no1 ZINC000278091395 849126767 /nfs/dbraw/zinc/12/67/67/849126767.db2.gz OQYXAMZZDBQOFF-MRXNPFEDSA-N -1 3 394.456 3.670 20 30 GHEDHM N#Cc1ccc(C2(NC(=O)CCCc3ccc([O-])c(F)c3)CCOCC2)cc1 ZINC000600477344 862063416 /nfs/dbraw/zinc/06/34/16/862063416.db2.gz LZFMFSCWSKLNSC-UHFFFAOYSA-N -1 3 382.435 3.548 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(C(F)(F)F)c1 ZINC000017222626 849958765 /nfs/dbraw/zinc/95/87/65/849958765.db2.gz BDVFCZBKIULQBT-UHFFFAOYSA-N -1 3 378.350 3.558 20 30 GHEDHM C[C@H](C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)N(C)CC(F)(F)F ZINC000504335731 850029821 /nfs/dbraw/zinc/02/98/21/850029821.db2.gz HKMJMBKVLQYTCW-HQJQHLMTSA-N -1 3 378.263 3.567 20 30 GHEDHM Cc1cc(Cl)c2ncc(C#N)c(NCCNC(=O)c3ccc([O-])cc3)c2c1 ZINC000436696172 852211032 /nfs/dbraw/zinc/21/10/32/852211032.db2.gz HFKLEQKCILIECT-UHFFFAOYSA-N -1 3 380.835 3.616 20 30 GHEDHM C=CCN1CCC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000171537094 862356570 /nfs/dbraw/zinc/35/65/70/862356570.db2.gz RRAZTRBSCZDYOG-UHFFFAOYSA-N -1 3 383.728 3.576 20 30 GHEDHM CC#CCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000542674403 855237551 /nfs/dbraw/zinc/23/75/51/855237551.db2.gz WKWPKUCXTHTVDY-UHFFFAOYSA-N -1 3 398.528 3.864 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(Cl)c1 ZINC000225224209 855241039 /nfs/dbraw/zinc/24/10/39/855241039.db2.gz PGPHNDQDHKJACL-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057172729 855257999 /nfs/dbraw/zinc/25/79/99/855257999.db2.gz XXBARGMSEMDUCL-UHFFFAOYSA-N -1 3 399.336 3.708 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)ccc1Cl ZINC000110590461 856611387 /nfs/dbraw/zinc/61/13/87/856611387.db2.gz FSPIXPRFEIDOCB-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000172880010 856646240 /nfs/dbraw/zinc/64/62/40/856646240.db2.gz GBHDTIRKVNOEOG-UHFFFAOYSA-N -1 3 397.450 3.895 20 30 GHEDHM C#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)ccc1C ZINC000733288591 862844188 /nfs/dbraw/zinc/84/41/88/862844188.db2.gz RSKROHUNVSBBOM-UHFFFAOYSA-N -1 3 398.528 3.892 20 30 GHEDHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c(F)c1 ZINC000508090369 856888843 /nfs/dbraw/zinc/88/88/43/856888843.db2.gz WETVJLVVXQCZOB-UHFFFAOYSA-N -1 3 383.242 3.710 20 30 GHEDHM COc1ccc(CN=Nc2oc(C(C)C)nc2C#N)c(Br)c1[O-] ZINC000761014431 857393164 /nfs/dbraw/zinc/39/31/64/857393164.db2.gz YPZRNARUNAMIFT-UHFFFAOYSA-N -1 3 379.214 3.592 20 30 GHEDHM N#Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cnc1C(F)(F)F ZINC000486092493 857418068 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GHEDHM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464418907 873807594 /nfs/dbraw/zinc/80/75/94/873807594.db2.gz IPGKNQWOQNIMAX-OAHLLOKOSA-N -1 3 375.350 3.730 20 30 GHEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)ccc1C#N ZINC001197538040 873866728 /nfs/dbraw/zinc/86/67/28/873866728.db2.gz PBHIGTLPCAFXAC-UHFFFAOYSA-N -1 3 399.255 3.594 20 30 GHEDHM O=C(Nc1ccc(Sc2ccccc2Cl)cc1)N[C@H]1CCCN([O-])C1=O ZINC001199215829 874855275 /nfs/dbraw/zinc/85/52/75/874855275.db2.gz CIDZNUAKOJEYKC-HNNXBMFYSA-N -1 3 391.880 3.993 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)cc1C#N ZINC001201323059 875633418 /nfs/dbraw/zinc/63/34/18/875633418.db2.gz YHWABYJLBSDTOR-UHFFFAOYSA-N -1 3 376.306 3.965 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2ccc(F)cc2F)c(C)c1[O-] ZINC001202023200 875967092 /nfs/dbraw/zinc/96/70/92/875967092.db2.gz MOXAONGMSCRGBM-UHFFFAOYSA-N -1 3 375.331 3.671 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(OC2CCCCC2)c1 ZINC000772645015 876061301 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ZINC001183428560 912513779 /nfs/dbraw/zinc/51/37/79/912513779.db2.gz XIQBHQAPQYNGAH-CYBMUJFWSA-N -1 3 393.374 3.996 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)cc(=O)[n-]1 ZINC000556304444 884432793 /nfs/dbraw/zinc/43/27/93/884432793.db2.gz HBEMWVXRHIMQTA-UHFFFAOYSA-N -1 3 385.427 3.840 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc3ccsc3[n-]2)cc1C ZINC000914891798 885119374 /nfs/dbraw/zinc/11/93/74/885119374.db2.gz UJAWCUBIENRGGV-UHFFFAOYSA-N -1 3 381.457 3.950 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001130903830 885358299 /nfs/dbraw/zinc/35/82/99/885358299.db2.gz AGTAFKGNQCVQGR-WMLDXEAASA-N -1 3 396.528 3.767 20 30 GHEDHM N#Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(F)c1 ZINC000053020080 885568085 /nfs/dbraw/zinc/56/80/85/885568085.db2.gz HTVKRPJMIJJPBW-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM FC(F)c1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000794471415 886764191 /nfs/dbraw/zinc/76/41/91/886764191.db2.gz RRNHNJXRODWTNJ-HNNXBMFYSA-N -1 3 388.399 3.899 20 30 GHEDHM OC1CCN(c2ccc(C=NNc3nc4ccccc4[n-]c3=S)cc2)CC1 ZINC000863125364 886883591 /nfs/dbraw/zinc/88/35/91/886883591.db2.gz UONCOWGCQFTKFN-UHFFFAOYSA-N -1 3 379.489 3.699 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(C(F)(F)F)c2)cc1Cl ZINC000808979937 886957543 /nfs/dbraw/zinc/95/75/43/886957543.db2.gz PHGBQOVLTXRQAE-NSHDSACASA-N -1 3 397.740 3.724 20 30 GHEDHM COc1cccc(-c2n[nH]cc2C=CC(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000763107817 887668355 /nfs/dbraw/zinc/66/83/55/887668355.db2.gz XSKLOWQAMZWOSF-BQYQJAHWSA-N -1 3 380.400 3.704 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(OCc3ccccc3)cc2)c1[O-] ZINC000915982053 888597636 /nfs/dbraw/zinc/59/76/36/888597636.db2.gz NNRRCGSGKCIDPZ-ZVHZXABRSA-N -1 3 376.456 3.829 20 30 GHEDHM O=C1/C(=C\c2c(F)ccc([O-])c2F)COC/C1=C/c1c(F)ccc(O)c1F ZINC000794942874 888993861 /nfs/dbraw/zinc/99/38/61/888993861.db2.gz RKXZNCXMIYRPEF-OZDSWYPASA-N -1 3 380.293 3.721 20 30 GHEDHM C=CC[C@@H](C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)c1ccccc1 ZINC001132540244 889040873 /nfs/dbraw/zinc/04/08/73/889040873.db2.gz WMDKEIKDJNVDRB-CQSZACIVSA-N -1 3 393.534 3.518 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000811186792 889271740 /nfs/dbraw/zinc/27/17/40/889271740.db2.gz YOISFQSDFCZHEO-CYBMUJFWSA-N -1 3 399.472 3.632 20 30 GHEDHM COC(=O)c1ccc(C=CC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)o1 ZINC000870454016 890361231 /nfs/dbraw/zinc/36/12/31/890361231.db2.gz DBVDJSSUYPFNBK-QPBFKRLHSA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1ccc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)o1 ZINC000870454016 890361245 /nfs/dbraw/zinc/36/12/45/890361245.db2.gz DBVDJSSUYPFNBK-QPBFKRLHSA-N -1 3 383.425 3.611 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(SC)c([N+](=O)[O-])c1 ZINC000916922821 890394025 /nfs/dbraw/zinc/39/40/25/890394025.db2.gz ISIXYXQWWQHCOY-ZDUSSCGKSA-N -1 3 399.428 3.677 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1oc2ccccc2c1COC ZINC000916925405 890397111 /nfs/dbraw/zinc/39/71/11/890397111.db2.gz JSFRNZAEAJSJBX-HNNXBMFYSA-N -1 3 392.411 3.939 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000916905263 890401460 /nfs/dbraw/zinc/40/14/60/890401460.db2.gz BRQLCYZCWSGRBU-IBGZPJMESA-N -1 3 386.455 3.958 20 30 GHEDHM COCCOCc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000812444338 890636393 /nfs/dbraw/zinc/63/63/93/890636393.db2.gz CYVZMIVIUWOXTA-UDWIEESQSA-N -1 3 378.266 3.937 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1ccccc1F ZINC000917505711 892103820 /nfs/dbraw/zinc/10/38/20/892103820.db2.gz PNMDNKYUEDFUAA-FJVVXJACSA-N -1 3 382.391 3.552 20 30 GHEDHM Cc1ccc2c(C=Nn3c(=S)[n-]nc3[C@H]3COc4ccccc4O3)c[nH]c2c1 ZINC000917538917 892135947 /nfs/dbraw/zinc/13/59/47/892135947.db2.gz ZFXRWDRGBBOAPL-GOSISDBHSA-N -1 3 391.456 3.751 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1 ZINC001134401464 892765351 /nfs/dbraw/zinc/76/53/51/892765351.db2.gz VONWSBQPDOZOBU-SANMLTNESA-N -1 3 391.880 3.545 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000815714455 894150282 /nfs/dbraw/zinc/15/02/82/894150282.db2.gz XFNJXJSREFUKMJ-KRWDZBQOSA-N -1 3 397.418 3.646 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815906709 894281997 /nfs/dbraw/zinc/28/19/97/894281997.db2.gz HHGAEVKXCTUKTI-CYBMUJFWSA-N -1 3 392.724 3.587 20 30 GHEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)nc1 ZINC000815910446 894286078 /nfs/dbraw/zinc/28/60/78/894286078.db2.gz YCXXXFBDBNSDDX-KDOFPFPSSA-N -1 3 393.443 3.733 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000820471072 897348246 /nfs/dbraw/zinc/34/82/46/897348246.db2.gz MLOPWKJHKPAOIG-AWEZNQCLSA-N -1 3 394.855 3.740 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1cccc(Cl)c1 ZINC000822016346 898171681 /nfs/dbraw/zinc/17/16/81/898171681.db2.gz YAQIFYUMNAXJOF-AATRIKPKSA-N -1 3 396.863 3.972 20 30 GHEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1-c1cccc(Cl)c1 ZINC000822016346 898171690 /nfs/dbraw/zinc/17/16/90/898171690.db2.gz YAQIFYUMNAXJOF-AATRIKPKSA-N -1 3 396.863 3.972 20 30 GHEDHM Cc1ccccc1C1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000106661485 898288248 /nfs/dbraw/zinc/28/82/48/898288248.db2.gz MJHDGWHHXCDVHC-UHFFFAOYSA-N -1 3 377.488 3.511 20 30 GHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]nc1-c1c(F)cccc1F ZINC000155672081 898988376 /nfs/dbraw/zinc/98/83/76/898988376.db2.gz JEKOQWWDDZSNIH-LLVKDONJSA-N -1 3 377.354 3.732 20 30 GHEDHM N#Cc1ccccc1C=C1CSCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826387008 899173887 /nfs/dbraw/zinc/17/38/87/899173887.db2.gz BVOGIYAVTCCTNP-BUOZRGFLSA-N -1 3 385.452 3.521 20 30 GHEDHM N#Cc1ccccc1C=C1CSCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826387008 899173912 /nfs/dbraw/zinc/17/39/12/899173912.db2.gz BVOGIYAVTCCTNP-BUOZRGFLSA-N -1 3 385.452 3.521 20 30 GHEDHM N#Cc1ccccc1C=C1CSCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826387007 899174159 /nfs/dbraw/zinc/17/41/59/899174159.db2.gz BVOGIYAVTCCTNP-BEQMOXJMSA-N -1 3 385.452 3.521 20 30 GHEDHM N#Cc1ccccc1C=C1CSCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826387007 899174161 /nfs/dbraw/zinc/17/41/61/899174161.db2.gz BVOGIYAVTCCTNP-BEQMOXJMSA-N -1 3 385.452 3.521 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000823914177 899297958 /nfs/dbraw/zinc/29/79/58/899297958.db2.gz CHNHZSFTLMAEIF-UHFFFAOYSA-N -1 3 384.827 3.617 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000823914177 899297969 /nfs/dbraw/zinc/29/79/69/899297969.db2.gz CHNHZSFTLMAEIF-UHFFFAOYSA-N -1 3 384.827 3.617 20 30 GHEDHM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccccc1C ZINC000156930906 900170341 /nfs/dbraw/zinc/17/03/41/900170341.db2.gz FFPRAFXXDICXJH-UHFFFAOYSA-N -1 3 384.427 3.600 20 30 GHEDHM C/C(=C\C(=O)Nc1nc(C)ccc1[O-])C(=O)c1ccc(Br)cc1 ZINC001143880698 900676533 /nfs/dbraw/zinc/67/65/33/900676533.db2.gz AEPPZNCGJPYXLD-MDZDMXLPSA-N -1 3 375.222 3.626 20 30 GHEDHM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000136619046 900732587 /nfs/dbraw/zinc/73/25/87/900732587.db2.gz ZREWYJLZSPGJPC-HNNXBMFYSA-N -1 3 379.441 3.712 20 30 GHEDHM Cc1c(NNC=C(CC(F)(F)F)NC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC000844623000 901085119 /nfs/dbraw/zinc/08/51/19/901085119.db2.gz JPRIDAWQNSEEEI-LLVKDONJSA-N -1 3 389.374 3.937 20 30 GHEDHM Cc1c(NNC=C(CC(F)(F)F)NC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC000844623012 901086526 /nfs/dbraw/zinc/08/65/26/901086526.db2.gz JPRIDAWQNSEEEI-NSHDSACASA-N -1 3 389.374 3.937 20 30 GHEDHM CC1(C=CC(=O)C(C#N)=C([O-])c2sccc2Br)CCOCC1 ZINC000845843257 902409307 /nfs/dbraw/zinc/40/93/07/902409307.db2.gz BFYAWIWFOCJAHK-JRBALWBOSA-N -1 3 382.279 3.775 20 30 GHEDHM CC1(C=CC([O-])=C(C#N)C(=O)c2sccc2Br)CCOCC1 ZINC000845843257 902409314 /nfs/dbraw/zinc/40/93/14/902409314.db2.gz BFYAWIWFOCJAHK-JRBALWBOSA-N -1 3 382.279 3.775 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])COc1ccc(Br)cc1 ZINC000845837486 902448921 /nfs/dbraw/zinc/44/89/21/902448921.db2.gz QCVAGRBQLCCXSX-QGZVFWFLSA-N -1 3 398.256 3.838 20 30 GHEDHM COc1cccc(CO[C@@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845839694 902453813 /nfs/dbraw/zinc/45/38/13/902453813.db2.gz VTGAZJCGBCULIH-JXFKEZNVSA-N -1 3 377.440 3.610 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)c(Cl)c1)c1ccccc1 ZINC001186752560 914764249 /nfs/dbraw/zinc/76/42/49/914764249.db2.gz PJQDXOBHORBNNJ-CYBMUJFWSA-N -1 3 390.770 3.782 20 30 GHEDHM C=CCCCN(C)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000265539423 903947786 /nfs/dbraw/zinc/94/77/86/903947786.db2.gz MUSXFRGCLZJHET-UHFFFAOYSA-N -1 3 398.459 3.700 20 30 GHEDHM CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000801552080 921124507 /nfs/dbraw/zinc/12/45/07/921124507.db2.gz YAXCEJXAZQRTPU-UHFFFAOYSA-N -1 3 381.476 3.743 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N3CCCCC3)cc2)n1 ZINC000777309513 905862757 /nfs/dbraw/zinc/86/27/57/905862757.db2.gz MDZLFVNKLURTFW-INIZCTEOSA-N -1 3 383.473 3.800 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1Cc1ccccn1 ZINC000190955220 906477921 /nfs/dbraw/zinc/47/79/21/906477921.db2.gz GISIXMVFXMBXQI-LJQANCHMSA-N -1 3 381.439 3.982 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000365922931 921250824 /nfs/dbraw/zinc/25/08/24/921250824.db2.gz SJZDUKPSKJCVKP-UHFFFAOYSA-N -1 3 381.451 3.754 20 30 GHEDHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000299268631 921274997 /nfs/dbraw/zinc/27/49/97/921274997.db2.gz QSOGPBHKXMHILY-VXHUXDJESA-N -1 3 381.476 3.519 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000195491961 909014538 /nfs/dbraw/zinc/01/45/38/909014538.db2.gz QNWGTHYMPWCHPF-QGZVFWFLSA-N -1 3 376.803 3.758 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCCc2ccc(OC)cc2)c(C)c1[O-] ZINC001181216095 910642509 /nfs/dbraw/zinc/64/25/09/910642509.db2.gz IVRYQVGNJDPZKG-UHFFFAOYSA-N -1 3 396.443 3.719 20 30 GHEDHM CCC(C)(C)NC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccc(C)cc1 ZINC000773949142 911044548 /nfs/dbraw/zinc/04/45/48/911044548.db2.gz VYRWMZANFQTIOK-UHFFFAOYSA-O -1 3 399.540 3.574 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CSCc2ccccc2)no1 ZINC000273842929 911051659 /nfs/dbraw/zinc/05/16/59/911051659.db2.gz MYDOVBIZZAZOBE-UHFFFAOYSA-N -1 3 380.473 3.877 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1F ZINC001187001211 914969219 /nfs/dbraw/zinc/96/92/19/914969219.db2.gz OZJWTBIIKDYANW-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM CC(C)(C)OC(=O)NCCc1ccc(CC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001187273821 915141088 /nfs/dbraw/zinc/14/10/88/915141088.db2.gz TVMZNMJMDRNWLG-UHFFFAOYSA-N -1 3 395.459 3.512 20 30 GHEDHM C=CCN1c2ccc(NC(=O)c3c(C)cccc3[O-])cc2C2(CCOCC2)C1=O ZINC001188648690 916077548 /nfs/dbraw/zinc/07/75/48/916077548.db2.gz LVBKEDIDWSIBFN-UHFFFAOYSA-N -1 3 392.455 3.534 20 30 GHEDHM COc1cc(/C=C2/COc3c(OC)cccc3C2=O)cc(Br)c1[O-] ZINC000098125400 916240543 /nfs/dbraw/zinc/24/05/43/916240543.db2.gz XKKJFEMQSWEEPJ-WDZFZDKYSA-N -1 3 391.217 3.831 20 30 GHEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(Cl)c1 ZINC001189498070 916679213 /nfs/dbraw/zinc/67/92/13/916679213.db2.gz FBDSKYWEGHTJNT-UHFFFAOYSA-N -1 3 375.759 3.567 20 30 GHEDHM COc1ccc(-c2noc(C)c2C(=O)[N-]c2nc3ncccc3cc2C#N)cc1 ZINC001189778390 916913827 /nfs/dbraw/zinc/91/38/27/916913827.db2.gz YORBZDLHMUIRIR-UHFFFAOYSA-N -1 3 385.383 3.726 20 30 GHEDHM N#Cc1cc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)ccc1F ZINC001189788971 916922844 /nfs/dbraw/zinc/92/28/44/916922844.db2.gz VYNFSFQKENMNPR-UHFFFAOYSA-N -1 3 391.431 3.883 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000295250041 917228159 /nfs/dbraw/zinc/22/81/59/917228159.db2.gz CDKVOVXMMWLGOF-ZLKJLUDKSA-N -1 3 383.414 3.786 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCSCc2ccccc2Cl)c1 ZINC001190660793 917451407 /nfs/dbraw/zinc/45/14/07/917451407.db2.gz FMOJVJQDFHPJFK-UHFFFAOYSA-N -1 3 384.885 3.562 20 30 GHEDHM COc1c(C)cc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc1C ZINC001191079300 917744342 /nfs/dbraw/zinc/74/43/42/917744342.db2.gz OSRZPRLLFQTZBF-UHFFFAOYSA-N -1 3 382.338 3.776 20 30 GHEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(F)c(C#N)c(F)c2)c1Cl ZINC001191943528 918310802 /nfs/dbraw/zinc/31/08/02/918310802.db2.gz LWLKXGKJSGQDOC-UHFFFAOYSA-N -1 3 391.226 3.930 20 30 GHEDHM O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N([O-])Cc1ccc(F)cc1 ZINC000901374524 921051663 /nfs/dbraw/zinc/05/16/63/921051663.db2.gz LWPRGTZUCANIEJ-CQSZACIVSA-N -1 3 397.233 3.903 20 30 GHEDHM O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N([O-])Cc1ccc(F)cc1 ZINC000901376514 921053877 /nfs/dbraw/zinc/05/38/77/921053877.db2.gz VBOUGOJCRBLNFV-UHFFFAOYSA-N -1 3 388.273 3.707 20 30 GHEDHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ccccc3C#N)nc(=O)c2c1C ZINC000011250435 924754062 /nfs/dbraw/zinc/75/40/62/924754062.db2.gz AVDVSDNMPIFVAZ-BCPZQOPPSA-N -1 3 379.441 3.791 20 30 GHEDHM C=CC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000410143633 925350395 /nfs/dbraw/zinc/35/03/95/925350395.db2.gz DFKHSCHRNMOLNI-OAHLLOKOSA-N -1 3 376.453 3.711 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])c1ccnc(C#N)c1 ZINC000796635115 926372767 /nfs/dbraw/zinc/37/27/67/926372767.db2.gz XMINTXCLQLOIGM-SFHVURJKSA-N -1 3 382.379 3.707 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c([O-])c1 ZINC000374394960 927090141 /nfs/dbraw/zinc/09/01/41/927090141.db2.gz ZXFLNDTYIXNCDO-UHFFFAOYSA-N -1 3 379.460 3.664 20 30 GHEDHM C/C(C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)=C\c1ccc(Cl)cc1 ZINC000753697854 929487087 /nfs/dbraw/zinc/48/70/87/929487087.db2.gz QQDCIPMILPBWLI-MMODIHTESA-N -1 3 393.852 3.757 20 30 GHEDHM Cc1ccc([C@@H]2C[C@H](OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCO2)cc1 ZINC000757535539 929726182 /nfs/dbraw/zinc/72/61/82/929726182.db2.gz ZTJHGGCCZOKVNA-NQIIRXRSSA-N -1 3 394.471 3.980 20 30 GHEDHM Cc1ccc([C@@H]2C[C@@H](OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCO2)cc1 ZINC000757535540 929726363 /nfs/dbraw/zinc/72/63/63/929726363.db2.gz ZTJHGGCCZOKVNA-RXVVDRJESA-N -1 3 394.471 3.980 20 30 GHEDHM N#CC(=C([O-])c1cccc(NC(=O)CCCc2cccs2)c1)c1ccncn1 ZINC000546153068 929908969 /nfs/dbraw/zinc/90/89/69/929908969.db2.gz ICHAEHDTZHFLKX-SFHVURJKSA-N 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ZINC000798954971 932838563 /nfs/dbraw/zinc/83/85/63/932838563.db2.gz DSQFZRUSAMVNAW-UHFFFAOYSA-N -1 3 386.311 3.735 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1C[C@H]1CCCOC1 ZINC000626410809 934308332 /nfs/dbraw/zinc/30/83/32/934308332.db2.gz XXVZECBKJQWGAE-MJGOQNOKSA-N -1 3 388.471 3.965 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001121708989 934744679 /nfs/dbraw/zinc/74/46/79/934744679.db2.gz PKKLQYZQULWOJB-QGZVFWFLSA-N -1 3 396.882 3.930 20 30 GHEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CC1CCCCC1 ZINC001573293970 946972146 /nfs/dbraw/zinc/97/21/46/946972146.db2.gz PRWMBXQGWJAYKG-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CC1CCCCC1 ZINC001573293970 946972155 /nfs/dbraw/zinc/97/21/55/946972155.db2.gz PRWMBXQGWJAYKG-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573295954 947036058 /nfs/dbraw/zinc/03/60/58/947036058.db2.gz WOQMWXHGGKRLQP-OALUTQOASA-N -1 3 391.431 3.579 20 30 GHEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573295954 947036072 /nfs/dbraw/zinc/03/60/72/947036072.db2.gz WOQMWXHGGKRLQP-OALUTQOASA-N -1 3 391.431 3.579 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CCC ZINC001573334184 947449262 /nfs/dbraw/zinc/44/92/62/947449262.db2.gz AJEBJOAUHLXIQE-UHFFFAOYSA-N -1 3 380.500 3.718 20 30 GHEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CCC ZINC001573334184 947449269 /nfs/dbraw/zinc/44/92/69/947449269.db2.gz AJEBJOAUHLXIQE-UHFFFAOYSA-N -1 3 380.500 3.718 20 30 GHEDHM C=CCCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573336072 947497283 /nfs/dbraw/zinc/49/72/83/947497283.db2.gz ZUJSUBDDYSITGV-IBGZPJMESA-N -1 3 376.464 3.764 20 30 GHEDHM C=CCCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573336072 947497292 /nfs/dbraw/zinc/49/72/92/947497292.db2.gz ZUJSUBDDYSITGV-IBGZPJMESA-N -1 3 376.464 3.764 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)c1ccc(F)cc1 ZINC001573341058 947524476 /nfs/dbraw/zinc/52/44/76/947524476.db2.gz GGFYNIJPKMMOQQ-LJQANCHMSA-N -1 3 394.454 3.855 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC)c1ccc(F)cc1 ZINC001573341058 947524482 /nfs/dbraw/zinc/52/44/82/947524482.db2.gz GGFYNIJPKMMOQQ-LJQANCHMSA-N -1 3 394.454 3.855 20 30 GHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC001599901105 984827371 /nfs/dbraw/zinc/82/73/71/984827371.db2.gz QTPLSMZGLYLLJG-MGPLVRAMSA-N -1 3 377.213 3.936 20 30 GHEDHM CC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCN(Cc2ccccc2)CC1 ZINC001593812779 996544374 /nfs/dbraw/zinc/54/43/74/996544374.db2.gz JLNAJJZXYVRGPA-UHFFFAOYSA-N -1 3 392.455 3.602 20 30 GHEDHM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc12 ZINC000041556790 1019241414 /nfs/dbraw/zinc/24/14/14/1019241414.db2.gz LQDZIKMKDYMWNR-CQSZACIVSA-N -1 3 394.385 3.820 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2c1CCCC2 ZINC000835064248 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386.326 3.824 20 30 GHEDHM O=c1[nH][n-]cc1CCCNc1cnc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001164396612 1026505899 /nfs/dbraw/zinc/50/58/99/1026505899.db2.gz SJWLQHRPMZBUTN-LJQANCHMSA-N -1 3 398.470 3.570 20 30 GHEDHM O=c1[nH]c(=S)[nH]c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1N=Cc1ccccc1 ZINC001210394089 1027486458 /nfs/dbraw/zinc/48/64/58/1027486458.db2.gz NQKLJOSTTZDUCH-GIJQJNRQSA-N -1 3 383.389 3.579 20 30 GHEDHM CCCCCCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC001213188998 1028035167 /nfs/dbraw/zinc/03/51/67/1028035167.db2.gz JOYGXYKSFFJOJF-UHFFFAOYSA-N -1 3 382.295 3.846 20 30 GHEDHM C[C@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C1 ZINC000842684725 1029491753 /nfs/dbraw/zinc/49/17/53/1029491753.db2.gz JOCVCDRYCAYVLS-JQWIXIFHSA-N -1 3 391.258 3.733 20 30 GHEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1OC ZINC001142905882 1029667997 /nfs/dbraw/zinc/66/79/97/1029667997.db2.gz TYBSZORLCAZCTG-NTMALXAHSA-N -1 3 399.447 3.590 20 30 GHEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1OC ZINC001142905882 1029668001 /nfs/dbraw/zinc/66/80/01/1029668001.db2.gz TYBSZORLCAZCTG-NTMALXAHSA-N -1 3 399.447 3.590 20 30 GHEDHM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O[C@H]1CN2CCC1CC2 ZINC001229407314 1033465470 /nfs/dbraw/zinc/46/54/70/1033465470.db2.gz JLYPHOPQATXCLI-DRGXBFSJSA-N -1 3 379.456 3.770 20 30 GHEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CCC(C#Cc2ccccc2)CC1 ZINC001157528366 1033642396 /nfs/dbraw/zinc/64/23/96/1033642396.db2.gz LIMLLGPXLJSLSV-UHFFFAOYSA-N -1 3 394.862 3.666 20 30 GHEDHM N#Cc1ccccc1Sc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001158077616 1033902822 /nfs/dbraw/zinc/90/28/22/1033902822.db2.gz FQTQYNLUAHXGAW-UHFFFAOYSA-N -1 3 392.396 3.971 20 30 GHEDHM C[C@@H](NCc1cccc(F)c1OCC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001207665680 1034517965 /nfs/dbraw/zinc/51/79/65/1034517965.db2.gz OTPSYYVEDAPYQX-SSDOTTSWSA-N -1 3 386.271 3.755 20 30 GHEDHM N#Cc1cc(Cl)nc(C(F)(F)NCc2cc(Br)ccc2[O-])c1 ZINC001160019383 1034831181 /nfs/dbraw/zinc/83/11/81/1034831181.db2.gz GMWDYBZAVSOBHT-UHFFFAOYSA-N -1 3 388.599 3.914 20 30 GHEDHM COCCCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C)cc1 ZINC001248509593 1035923199 /nfs/dbraw/zinc/92/31/99/1035923199.db2.gz VNBBFSDTHUSJEG-UHFFFAOYSA-N -1 3 397.500 3.756 20 30 GHEDHM N#Cc1ccc([O-])c(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)c1 ZINC001232680220 1038476121 /nfs/dbraw/zinc/47/61/21/1038476121.db2.gz ZJJJMLIQCVBSLK-UHFFFAOYSA-N -1 3 378.863 3.788 20 30 GHEDHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3cc(C#N)c(F)cc3F)no2)c1 ZINC001462285904 1070143756 /nfs/dbraw/zinc/14/37/56/1070143756.db2.gz VVICQZREOSWOSB-UHFFFAOYSA-N -1 3 397.337 3.858 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)cc1 ZINC001233387301 1039210528 /nfs/dbraw/zinc/21/05/28/1039210528.db2.gz DMRJMWZEVHTLLG-UHFFFAOYSA-N -1 3 393.487 3.541 20 30 GHEDHM O=C1c2ccccc2C([N-]S(=O)(=O)Cc2ccccc2)=C1c1ccccc1 ZINC001252911343 1039251552 /nfs/dbraw/zinc/25/15/52/1039251552.db2.gz ANIIGTFFKIIWKO-UHFFFAOYSA-N -1 3 375.449 3.871 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001233798853 1039623132 /nfs/dbraw/zinc/62/31/32/1039623132.db2.gz BCOKAFVJQGCYNY-FXYZYZMWSA-N -1 3 376.453 3.672 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001233800429 1039625436 /nfs/dbraw/zinc/62/54/36/1039625436.db2.gz QDBGDOAYAZHVKZ-QDGCZEMJSA-N -1 3 378.469 3.918 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001233804371 1039628552 /nfs/dbraw/zinc/62/85/52/1039628552.db2.gz YVOUSJXUMNYZHY-KKJJZKEWSA-N -1 3 378.469 3.918 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001233803898 1039628863 /nfs/dbraw/zinc/62/88/63/1039628863.db2.gz UVRCUZGXVADGHE-GNZXAGPDSA-N -1 3 381.885 3.657 20 30 GHEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001277831537 1039838100 /nfs/dbraw/zinc/83/81/00/1039838100.db2.gz YLUYQHJGGZOYHS-AWEZNQCLSA-N -1 3 383.319 3.993 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792259 1040323350 /nfs/dbraw/zinc/32/33/50/1040323350.db2.gz XXZNKEUEYZWDCQ-KRWDZBQOSA-N -1 3 391.464 3.856 20 30 GHEDHM N#CCCCN1CCC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)C1=O ZINC001277992737 1041800759 /nfs/dbraw/zinc/80/07/59/1041800759.db2.gz MIUSFQDBBHFVLJ-UHFFFAOYSA-N -1 3 396.318 3.817 20 30 GHEDHM O=S(=O)(NCc1ccccc1)c1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1 ZINC001240177100 1042901515 /nfs/dbraw/zinc/90/15/15/1042901515.db2.gz SUPCZIAHQZUFPF-GYHWCHFESA-N -1 3 392.480 3.957 20 30 GHEDHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2)ccn1 ZINC001259418885 1045138236 /nfs/dbraw/zinc/13/82/36/1045138236.db2.gz WIVULNAQFIQEAO-UHFFFAOYSA-N -1 3 383.404 3.994 20 30 GHEDHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1F)c1cc(F)c(F)c(F)c1 ZINC001259503113 1045207747 /nfs/dbraw/zinc/20/77/47/1045207747.db2.gz HABPESSMJPQHQM-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM O=S(=O)([N-]C1CC(F)(F)C1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001260939529 1045777395 /nfs/dbraw/zinc/77/73/95/1045777395.db2.gz GHNLFJPTKAPGBA-UHFFFAOYSA-N -1 3 383.260 3.800 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(F)c1 ZINC001260972652 1045789958 /nfs/dbraw/zinc/78/99/58/1045789958.db2.gz AQVPQGPJECQEDK-UHFFFAOYSA-N -1 3 399.827 3.631 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)c1cccc(Cl)c1 ZINC001262988518 1046472110 /nfs/dbraw/zinc/47/21/10/1046472110.db2.gz UPLGWDXLGHQNJI-GFCCVEGCSA-N -1 3 384.871 3.786 20 30 GHEDHM CCCCCCCC[C@H](CO)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001305169124 1047925777 /nfs/dbraw/zinc/92/57/77/1047925777.db2.gz SWVKJNXOHDIMIA-CQSZACIVSA-N -1 3 380.435 3.648 20 30 GHEDHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)nc1Cl ZINC001287631232 1048859163 /nfs/dbraw/zinc/85/91/63/1048859163.db2.gz BAAXJFXKOBJOQC-UHFFFAOYSA-N -1 3 377.763 3.656 20 30 GHEDHM CCOc1ccccc1C(=O)NCCCC(=O)N([O-])Cc1ccccc1Cl ZINC001306894706 1048948812 /nfs/dbraw/zinc/94/88/12/1048948812.db2.gz OZWIMXWRZOXGTF-UHFFFAOYSA-N -1 3 390.867 3.667 20 30 GHEDHM CCOC(=O)N1[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC[C@H]1c1ccc(C)o1 ZINC001306899741 1048951623 /nfs/dbraw/zinc/95/16/23/1048951623.db2.gz AISGKTYKOMNINW-DLBZAZTESA-N -1 3 390.411 3.807 20 30 GHEDHM O=C([C@H]1CCS(=O)(=O)c2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC001306899856 1048951778 /nfs/dbraw/zinc/95/17/78/1048951778.db2.gz DZSZVGNTSZRSQV-IBGZPJMESA-N -1 3 381.453 3.519 20 30 GHEDHM CCOc1cccc(S(=O)(=O)[N-][C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC001309794014 1050976838 /nfs/dbraw/zinc/97/68/38/1050976838.db2.gz TZCNITQQPGWHEB-INIZCTEOSA-N -1 3 384.379 3.539 20 30 GHEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC001309847450 1051003342 /nfs/dbraw/zinc/00/33/42/1051003342.db2.gz VOCWUTRYSODILX-SUMWQHHRSA-N -1 3 388.445 3.523 20 30 GHEDHM C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)C(C)C ZINC001310799663 1051598762 /nfs/dbraw/zinc/59/87/62/1051598762.db2.gz FEKRVILPFZGJIQ-IBGZPJMESA-N -1 3 399.516 3.884 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(c2ccsc2)CC1 ZINC001343287663 1053678967 /nfs/dbraw/zinc/67/89/67/1053678967.db2.gz KSGGRSHRQIHDJC-UHFFFAOYSA-N -1 3 396.520 3.771 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC001343461504 1053784568 /nfs/dbraw/zinc/78/45/68/1053784568.db2.gz BBTKCZZURALEDI-HNNXBMFYSA-N -1 3 378.819 3.546 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccnc(Cl)c1 ZINC001344539208 1054551930 /nfs/dbraw/zinc/55/19/30/1054551930.db2.gz DAUJDXCRLFKODK-LLVKDONJSA-N -1 3 378.215 3.667 20 30 GHEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)cc1)c1nc(N)c2ccccc2n1 ZINC001344546161 1054555585 /nfs/dbraw/zinc/55/55/85/1054555585.db2.gz ZXQWYZFSNOOWJH-CQSZACIVSA-N -1 3 386.333 3.643 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC4(C[C@@H]3C)CCOCC4)n2C)c1[O-] ZINC001341828141 1060913552 /nfs/dbraw/zinc/91/35/52/1060913552.db2.gz RACDPRZTIVTNEC-INIZCTEOSA-N -1 3 382.508 3.702 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC001346014995 1061289289 /nfs/dbraw/zinc/28/92/89/1061289289.db2.gz TYYDWAYBPOXXRY-IBGZPJMESA-N -1 3 399.454 3.668 20 30 GHEDHM COC(=O)c1cn(CC(=O)N([O-])CCCCc2ccccc2)c2ccccc12 ZINC001457995337 1063495573 /nfs/dbraw/zinc/49/55/73/1063495573.db2.gz RHLVUKCUKGWHSD-UHFFFAOYSA-N -1 3 380.444 3.669 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001352063886 1064802237 /nfs/dbraw/zinc/80/22/37/1064802237.db2.gz WNMBHIZNUCWDQO-LIRRHRJNSA-N -1 3 376.464 3.523 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001465389850 1065581858 /nfs/dbraw/zinc/58/18/58/1065581858.db2.gz AOLGXSJLAQAFNS-HNNXBMFYSA-N -1 3 385.197 3.807 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000847617465 1065759273 /nfs/dbraw/zinc/75/92/73/1065759273.db2.gz QJUGKWVWAOUDHN-CQSZACIVSA-N -1 3 381.860 3.961 20 30 GHEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc([O-])cc(Br)c1 ZINC001468027474 1067571549 /nfs/dbraw/zinc/57/15/49/1067571549.db2.gz INOVTIOZBAVGDV-UHFFFAOYSA-N -1 3 386.205 3.971 20 30 GHEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC001475234098 1074797725 /nfs/dbraw/zinc/79/77/25/1074797725.db2.gz CGQGFNPZLFVITF-UHFFFAOYSA-N -1 3 387.873 3.777 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001475366184 1074850716 /nfs/dbraw/zinc/85/07/16/1074850716.db2.gz SOAQBNFCDSTCSH-HNNXBMFYSA-N -1 3 378.837 3.518 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000018212645 221390180 /nfs/dbraw/zinc/39/01/80/221390180.db2.gz CNBSXPOSEGIJMW-OAHLLOKOSA-N -1 3 377.488 3.552 20 30 GHEDHM N#CC1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCCCC1 ZINC000737675209 598834400 /nfs/dbraw/zinc/83/44/00/598834400.db2.gz NZSLBRGYJUFUJZ-UHFFFAOYSA-N -1 3 392.488 3.685 20 30 GHEDHM Brc1cccc2c1OCCCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000735369367 598860409 /nfs/dbraw/zinc/86/04/09/598860409.db2.gz SFBBZFYLMAIBCG-UHFFFAOYSA-N -1 3 399.252 3.618 20 30 GHEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCC(F)(F)C(F)F)n1 ZINC000737245397 598892896 /nfs/dbraw/zinc/89/28/96/598892896.db2.gz OBEOOMUBEKGJJE-UHFFFAOYSA-N -1 3 375.273 3.581 20 30 GHEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2csc(C)n2)c1 ZINC000819773520 607253005 /nfs/dbraw/zinc/25/30/05/607253005.db2.gz SOWWFDWOAKZVIY-UHFFFAOYSA-N -1 3 395.517 3.874 20 30 GHEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2csc(C)n2)c1 ZINC000819773520 607253006 /nfs/dbraw/zinc/25/30/06/607253006.db2.gz SOWWFDWOAKZVIY-UHFFFAOYSA-N -1 3 395.517 3.874 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(OC(F)F)c1 ZINC000821786985 599113621 /nfs/dbraw/zinc/11/36/21/599113621.db2.gz MYSHLXINTKOXCT-LCYFTJDESA-N -1 3 398.369 3.689 20 30 GHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(OC(F)F)c1 ZINC000821786985 599113624 /nfs/dbraw/zinc/11/36/24/599113624.db2.gz MYSHLXINTKOXCT-LCYFTJDESA-N -1 3 398.369 3.689 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000819745520 599145248 /nfs/dbraw/zinc/14/52/48/599145248.db2.gz HIFPKLXWPAVGJR-UHFFFAOYSA-N -1 3 389.459 3.626 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000819745520 599145249 /nfs/dbraw/zinc/14/52/49/599145249.db2.gz HIFPKLXWPAVGJR-UHFFFAOYSA-N -1 3 389.459 3.626 20 30 GHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735409990 599217566 /nfs/dbraw/zinc/21/75/66/599217566.db2.gz QUIYFWMCCALWJW-HNNXBMFYSA-N -1 3 392.463 3.840 20 30 GHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735409990 599217569 /nfs/dbraw/zinc/21/75/69/599217569.db2.gz QUIYFWMCCALWJW-HNNXBMFYSA-N -1 3 392.463 3.840 20 30 GHEDHM C[C@@H](CC#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735977806 599219671 /nfs/dbraw/zinc/21/96/71/599219671.db2.gz XWSXUYGOGPIWFP-NSHDSACASA-N -1 3 383.795 3.771 20 30 GHEDHM C[C@@H](CC#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735977806 599219673 /nfs/dbraw/zinc/21/96/73/599219673.db2.gz XWSXUYGOGPIWFP-NSHDSACASA-N -1 3 383.795 3.771 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737720973 598232606 /nfs/dbraw/zinc/23/26/06/598232606.db2.gz DFQWGRDYBYUIAD-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1ccc(Oc2cccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737720973 598232607 /nfs/dbraw/zinc/23/26/07/598232607.db2.gz DFQWGRDYBYUIAD-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735451353 598315075 /nfs/dbraw/zinc/31/50/75/598315075.db2.gz YLZBQMLHKRAYRD-UHFFFAOYSA-N -1 3 391.313 3.630 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735451353 598315077 /nfs/dbraw/zinc/31/50/77/598315077.db2.gz YLZBQMLHKRAYRD-UHFFFAOYSA-N -1 3 391.313 3.630 20 30 GHEDHM CCCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736463223 598376888 /nfs/dbraw/zinc/37/68/88/598376888.db2.gz MHJCKSVJTVDTOP-XFXZXTDPSA-N -1 3 391.475 3.998 20 30 GHEDHM CCCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736463223 598376890 /nfs/dbraw/zinc/37/68/90/598376890.db2.gz MHJCKSVJTVDTOP-XFXZXTDPSA-N -1 3 391.475 3.998 20 30 GHEDHM CCCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736463219 598376893 /nfs/dbraw/zinc/37/68/93/598376893.db2.gz MHJCKSVJTVDTOP-FMIVXFBMSA-N -1 3 391.475 3.998 20 30 GHEDHM CCCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736463219 598376895 /nfs/dbraw/zinc/37/68/95/598376895.db2.gz MHJCKSVJTVDTOP-FMIVXFBMSA-N -1 3 391.475 3.998 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H]1CCCC ZINC000735418694 598533632 /nfs/dbraw/zinc/53/36/32/598533632.db2.gz IPZCTFMFMBJNNW-HKUYNNGSSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H]1CCCC ZINC000735418694 598533634 /nfs/dbraw/zinc/53/36/34/598533634.db2.gz IPZCTFMFMBJNNW-HKUYNNGSSA-N -1 3 382.512 3.923 20 30 GHEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735647987 598535803 /nfs/dbraw/zinc/53/58/03/598535803.db2.gz JGETTYBGXHFBEA-XGCMIMOYSA-N -1 3 386.459 3.558 20 30 GHEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735647987 598535805 /nfs/dbraw/zinc/53/58/05/598535805.db2.gz JGETTYBGXHFBEA-XGCMIMOYSA-N -1 3 386.459 3.558 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000735420777 598726701 /nfs/dbraw/zinc/72/67/01/598726701.db2.gz UCPNRGIOCBYGEH-RBUKOAKNSA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000735420777 598726702 /nfs/dbraw/zinc/72/67/02/598726702.db2.gz UCPNRGIOCBYGEH-RBUKOAKNSA-N -1 3 382.512 3.779 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000735419995 598781373 /nfs/dbraw/zinc/78/13/73/598781373.db2.gz LNRGOAMGXWWCIU-UHFFFAOYSA-N -1 3 387.447 3.877 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000735419995 598781374 /nfs/dbraw/zinc/78/13/74/598781374.db2.gz LNRGOAMGXWWCIU-UHFFFAOYSA-N -1 3 387.447 3.877 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(Cl)sc1Cl ZINC000737804676 599462416 /nfs/dbraw/zinc/46/24/16/599462416.db2.gz DMYIFUKSEIFNRA-IHWYPQMZSA-N -1 3 391.243 3.779 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(Cl)sc1Cl ZINC000737804676 599462418 /nfs/dbraw/zinc/46/24/18/599462418.db2.gz DMYIFUKSEIFNRA-IHWYPQMZSA-N -1 3 391.243 3.779 20 30 GHEDHM CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000736849530 600437697 /nfs/dbraw/zinc/43/76/97/600437697.db2.gz UCZLZLBAUUKVTD-LPHOPBHVSA-N -1 3 388.851 3.945 20 30 GHEDHM N#Cc1ccc([C@@H](NCc2cccc(NC(=O)C3CCCCC3)c2)C(=O)[O-])cc1 ZINC000739108933 600597234 /nfs/dbraw/zinc/59/72/34/600597234.db2.gz YNAXSQBRRFQNNJ-OAQYLSRUSA-N -1 3 391.471 3.993 20 30 GHEDHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832226297 601298654 /nfs/dbraw/zinc/29/86/54/601298654.db2.gz MTIIVKLLFKNVTP-APPDUMDISA-N -1 3 389.249 3.806 20 30 GHEDHM COc1ccc(CNc2ccccc2SC[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC000826203757 607550780 /nfs/dbraw/zinc/55/07/80/607550780.db2.gz DXTJFRMPNAJQAN-ZDUSSCGKSA-N -1 3 380.477 3.739 20 30 GHEDHM COc1ccc(CNc2ccccc2SC[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC000826203757 607550782 /nfs/dbraw/zinc/55/07/82/607550782.db2.gz DXTJFRMPNAJQAN-ZDUSSCGKSA-N -1 3 380.477 3.739 20 30 GHEDHM COc1ccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cc1C#N ZINC000826203930 607549106 /nfs/dbraw/zinc/54/91/06/607549106.db2.gz NBFUNBVDXGOWEG-UHFFFAOYSA-N -1 3 399.414 3.546 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000820842274 606086179 /nfs/dbraw/zinc/08/61/79/606086179.db2.gz LNGWBZGVRKXYPQ-INIZCTEOSA-N -1 3 385.431 3.708 20 30 GHEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000820842274 606086183 /nfs/dbraw/zinc/08/61/83/606086183.db2.gz LNGWBZGVRKXYPQ-INIZCTEOSA-N -1 3 385.431 3.708 20 30 GHEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000819865835 606102810 /nfs/dbraw/zinc/10/28/10/606102810.db2.gz IOMRYCJLAPVPMD-SECBINFHSA-N -1 3 387.230 3.787 20 30 GHEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000819865835 606102811 /nfs/dbraw/zinc/10/28/11/606102811.db2.gz IOMRYCJLAPVPMD-SECBINFHSA-N -1 3 387.230 3.787 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000822832954 606361769 /nfs/dbraw/zinc/36/17/69/606361769.db2.gz KGICGTNCNUBOII-UHFFFAOYSA-N -1 3 397.394 3.679 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000822832954 606361770 /nfs/dbraw/zinc/36/17/70/606361770.db2.gz KGICGTNCNUBOII-UHFFFAOYSA-N -1 3 397.394 3.679 20 30 GHEDHM N#Cc1ccc(CSCc2cc(-c3nnn[n-]3)ccc2F)c(OC(F)F)c1 ZINC000822825637 606599452 /nfs/dbraw/zinc/59/94/52/606599452.db2.gz JLVGJJPFETXKAE-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1ccc(CSCc2cc(-c3nn[n-]n3)ccc2F)c(OC(F)F)c1 ZINC000822825637 606599454 /nfs/dbraw/zinc/59/94/54/606599454.db2.gz JLVGJJPFETXKAE-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819742904 606665866 /nfs/dbraw/zinc/66/58/66/606665866.db2.gz BOQWDKQWYLFOSB-UHFFFAOYSA-N -1 3 395.822 3.688 20 30 GHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819742904 606665867 /nfs/dbraw/zinc/66/58/67/606665867.db2.gz BOQWDKQWYLFOSB-UHFFFAOYSA-N -1 3 395.822 3.688 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)OC1CCCCC1 ZINC000819743189 606717157 /nfs/dbraw/zinc/71/71/57/606717157.db2.gz FGMLOSCVEXRTNN-IBGZPJMESA-N -1 3 383.496 3.509 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)OC1CCCCC1 ZINC000819743189 606717159 /nfs/dbraw/zinc/71/71/59/606717159.db2.gz FGMLOSCVEXRTNN-IBGZPJMESA-N -1 3 383.496 3.509 20 30 GHEDHM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)Cc2cc(Cl)cc(Cl)c21 ZINC000823503799 606977672 /nfs/dbraw/zinc/97/76/72/606977672.db2.gz IWGYZPRKPMAAKU-VZUCSPMQSA-N -1 3 397.225 3.644 20 30 GHEDHM O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)Cc2cc(Cl)cc(Cl)c21 ZINC000823503799 606977674 /nfs/dbraw/zinc/97/76/74/606977674.db2.gz IWGYZPRKPMAAKU-VZUCSPMQSA-N -1 3 397.225 3.644 20 30 GHEDHM C#CCCCCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823841565 608059464 /nfs/dbraw/zinc/05/94/64/608059464.db2.gz PDJQGXULNAINOO-UHFFFAOYSA-N -1 3 395.850 3.846 20 30 GHEDHM C#CCCCCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823841565 608059465 /nfs/dbraw/zinc/05/94/65/608059465.db2.gz PDJQGXULNAINOO-UHFFFAOYSA-N -1 3 395.850 3.846 20 30 GHEDHM CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825039311 608075649 /nfs/dbraw/zinc/07/56/49/608075649.db2.gz PIFCLYKLPBRQCX-LBPRGKRZSA-N -1 3 383.795 3.771 20 30 GHEDHM CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825039311 608075650 /nfs/dbraw/zinc/07/56/50/608075650.db2.gz PIFCLYKLPBRQCX-LBPRGKRZSA-N -1 3 383.795 3.771 20 30 GHEDHM CCCCCCCCC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825271934 608191452 /nfs/dbraw/zinc/19/14/52/608191452.db2.gz RCLDIEAJZNFODA-UHFFFAOYSA-N -1 3 381.484 3.624 20 30 GHEDHM CCCCCCCCC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825271934 608191454 /nfs/dbraw/zinc/19/14/54/608191454.db2.gz RCLDIEAJZNFODA-UHFFFAOYSA-N -1 3 381.484 3.624 20 30 GHEDHM C=CCN(C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000823903546 608261288 /nfs/dbraw/zinc/26/12/88/608261288.db2.gz CQDMAFMRNBOJKX-UHFFFAOYSA-N -1 3 376.420 3.841 20 30 GHEDHM C=CCN(C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000823903546 608261289 /nfs/dbraw/zinc/26/12/89/608261289.db2.gz CQDMAFMRNBOJKX-UHFFFAOYSA-N -1 3 376.420 3.841 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823838387 608300745 /nfs/dbraw/zinc/30/07/45/608300745.db2.gz PARGXKBCDXMRAM-UHFFFAOYSA-N -1 3 375.432 3.578 20 30 GHEDHM C#CCCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823838387 608300747 /nfs/dbraw/zinc/30/07/47/608300747.db2.gz PARGXKBCDXMRAM-UHFFFAOYSA-N -1 3 375.432 3.578 20 30 GHEDHM CC(C)CN(CCC#N)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824255762 608497484 /nfs/dbraw/zinc/49/74/84/608497484.db2.gz WVHGLPWFRBTLNT-UHFFFAOYSA-N -1 3 390.491 3.817 20 30 GHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(OC(F)(F)F)c1 ZINC000823958117 608539805 /nfs/dbraw/zinc/53/98/05/608539805.db2.gz CSXCUBTUXBOEJC-UHFFFAOYSA-N -1 3 397.748 3.650 20 30 GHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(OC(F)(F)F)c1 ZINC000823958117 608539807 /nfs/dbraw/zinc/53/98/07/608539807.db2.gz CSXCUBTUXBOEJC-UHFFFAOYSA-N -1 3 397.748 3.650 20 30 GHEDHM N#CCCSc1ccccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826381885 608575662 /nfs/dbraw/zinc/57/56/62/608575662.db2.gz CYLWVHFBVHGZHF-UHFFFAOYSA-N -1 3 384.852 3.778 20 30 GHEDHM N#CCCSc1ccccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826381885 608575663 /nfs/dbraw/zinc/57/56/63/608575663.db2.gz CYLWVHFBVHGZHF-UHFFFAOYSA-N -1 3 384.852 3.778 20 30 GHEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)S1 ZINC000826296751 608874271 /nfs/dbraw/zinc/87/42/71/608874271.db2.gz IFDOUWMXMGWCSO-DHDCSXOGSA-N -1 3 394.435 3.514 20 30 GHEDHM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)S1 ZINC000826296751 608874273 /nfs/dbraw/zinc/87/42/73/608874273.db2.gz IFDOUWMXMGWCSO-DHDCSXOGSA-N -1 3 394.435 3.514 20 30 GHEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826181137 608875619 /nfs/dbraw/zinc/87/56/19/608875619.db2.gz MCAJRCWLVJSBRU-XQRVVYSFSA-N -1 3 388.786 3.573 20 30 GHEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826181137 608875622 /nfs/dbraw/zinc/87/56/22/608875622.db2.gz MCAJRCWLVJSBRU-XQRVVYSFSA-N -1 3 388.786 3.573 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824114392 609269222 /nfs/dbraw/zinc/26/92/22/609269222.db2.gz QVYVKTHJVNCIRX-YFHOEESVSA-N -1 3 394.406 3.857 20 30 GHEDHM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824114392 609269223 /nfs/dbraw/zinc/26/92/23/609269223.db2.gz QVYVKTHJVNCIRX-YFHOEESVSA-N -1 3 394.406 3.857 20 30 GHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305078 609309622 /nfs/dbraw/zinc/30/96/22/609309622.db2.gz JRYXIQZJCLQPCI-KVMVOAJRSA-N -1 3 396.454 3.959 20 30 GHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305078 609309623 /nfs/dbraw/zinc/30/96/23/609309623.db2.gz JRYXIQZJCLQPCI-KVMVOAJRSA-N -1 3 396.454 3.959 20 30 GHEDHM C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824553553 609342427 /nfs/dbraw/zinc/34/24/27/609342427.db2.gz CTNRIFFKFFAPQV-GFCCVEGCSA-N -1 3 389.356 3.727 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000823958620 609471323 /nfs/dbraw/zinc/47/13/23/609471323.db2.gz SVDMXCIOVJHJFQ-UHFFFAOYSA-N -1 3 378.827 3.542 20 30 GHEDHM Clc1cc(NN=C(C[C@H]2CCOC2)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000826350572 609471629 /nfs/dbraw/zinc/47/16/29/609471629.db2.gz BZZFOBKMEGICBM-CYBMUJFWSA-N -1 3 382.855 3.763 20 30 GHEDHM COc1cc2nc(C)sc2cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000608850805 837551383 /nfs/dbraw/zinc/55/13/83/837551383.db2.gz YYEYWUROFGXGIC-UHFFFAOYSA-N -1 3 396.472 3.774 20 30 GHEDHM N#CC(=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1)c1nnc2n1CCCCC2 ZINC000683220720 835240327 /nfs/dbraw/zinc/24/03/27/835240327.db2.gz GIOPQVCQEADYKR-JTQLQIEISA-N -1 3 384.308 3.792 20 30 GHEDHM N#CC(=C([O-])C=Cc1ccccc1OC(F)(F)F)c1nnc2n1CCCCC2 ZINC000255642138 835421782 /nfs/dbraw/zinc/42/17/82/835421782.db2.gz XUWQBNVLFZIZLZ-CMUBDUJZSA-N -1 3 390.365 3.793 20 30 GHEDHM Cc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000154251786 835483583 /nfs/dbraw/zinc/48/35/83/835483583.db2.gz OMPNDYAVHFBGGS-LJQANCHMSA-N -1 3 381.476 3.841 20 30 GHEDHM C#C[C@@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000890653933 835790946 /nfs/dbraw/zinc/79/09/46/835790946.db2.gz VLHCMUKJYZKAGX-LLVKDONJSA-N -1 3 393.668 3.572 20 30 GHEDHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(C(F)(F)F)cc1F ZINC000511363506 836626290 /nfs/dbraw/zinc/62/62/90/836626290.db2.gz XWWSACSCFAYDCF-UHFFFAOYSA-N -1 3 379.297 3.855 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2c(F)c(F)cc(F)c21 ZINC000416031716 838435647 /nfs/dbraw/zinc/43/56/47/838435647.db2.gz VOFZFDLKUUXYKU-UHFFFAOYSA-N -1 3 389.377 3.605 20 30 GHEDHM C=CCc1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc(OC)c1O ZINC000124033740 841351917 /nfs/dbraw/zinc/35/19/17/841351917.db2.gz PMWSXHCHVJLYAI-UHFFFAOYSA-N -1 3 381.472 3.930 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)CC#N)c2)cc1 ZINC000458027416 841693737 /nfs/dbraw/zinc/69/37/37/841693737.db2.gz NTCDNKZRZGPZNA-UHFFFAOYSA-N -1 3 399.516 3.774 20 30 GHEDHM N#Cc1cccc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c1 ZINC000512357215 843521933 /nfs/dbraw/zinc/52/19/33/843521933.db2.gz GIAWBRYQELYLKS-UHFFFAOYSA-N -1 3 385.196 3.524 20 30 GHEDHM CCOc1cc(C(=O)[N-]c2sc(CC)cc2C#N)c([N+](=O)[O-])cc1OC ZINC000604030396 861641038 /nfs/dbraw/zinc/64/10/38/861641038.db2.gz UTNBYAOEFQYUIK-UHFFFAOYSA-N -1 3 375.406 3.750 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000421621496 846386566 /nfs/dbraw/zinc/38/65/66/846386566.db2.gz VQBYFNKCWJCTRZ-QHCPKHFHSA-N -1 3 395.478 3.971 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000664293005 847289612 /nfs/dbraw/zinc/28/96/12/847289612.db2.gz SGPJXKVZONKVIQ-GDBMZVCRSA-N -1 3 395.525 3.713 20 30 GHEDHM COc1cc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1SC ZINC000731700379 861824086 /nfs/dbraw/zinc/82/40/86/861824086.db2.gz XWFWMKVCAWKIIK-UHFFFAOYSA-N -1 3 386.473 3.682 20 30 GHEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1Cc1ccc(F)cc1F ZINC000588558463 848724112 /nfs/dbraw/zinc/72/41/12/848724112.db2.gz JQLMJPMQQBOHMY-UKDAFGSXSA-N -1 3 378.806 3.934 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000282778182 850118742 /nfs/dbraw/zinc/11/87/42/850118742.db2.gz FOCYZTPAXFJEHA-CYBMUJFWSA-N -1 3 398.488 3.936 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)Sc2ccccc21 ZINC000120747060 850304654 /nfs/dbraw/zinc/30/46/54/850304654.db2.gz XYQFUDPLBCRBKQ-UHFFFAOYSA-N -1 3 381.501 3.714 20 30 GHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000435458327 850538390 /nfs/dbraw/zinc/53/83/90/850538390.db2.gz OSQXRXDERXGNOG-UHFFFAOYSA-N -1 3 389.234 3.993 20 30 GHEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000435606303 850695069 /nfs/dbraw/zinc/69/50/69/850695069.db2.gz KXQMPYJDZLPHLR-QMTHXVAHSA-N -1 3 383.819 3.618 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c([O-])c1 ZINC000436984936 852594296 /nfs/dbraw/zinc/59/42/96/852594296.db2.gz FUNBZAAKYJRSNM-OAQYLSRUSA-N -1 3 380.444 3.656 20 30 GHEDHM CN(C(=O)c1ccco1)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000518155105 852943843 /nfs/dbraw/zinc/94/38/43/852943843.db2.gz NOGSFAUVYUKHSV-MRXNPFEDSA-N -1 3 398.422 3.933 20 30 GHEDHM O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389640 853051493 /nfs/dbraw/zinc/05/14/93/853051493.db2.gz BYBNAXZMMGOQOI-QMMMGPOBSA-N -1 3 391.762 3.568 20 30 GHEDHM O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389640 853051501 /nfs/dbraw/zinc/05/15/01/853051501.db2.gz BYBNAXZMMGOQOI-QMMMGPOBSA-N -1 3 391.762 3.568 20 30 GHEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000589588940 855073255 /nfs/dbraw/zinc/07/32/55/855073255.db2.gz PVCADASTKWHTCW-IINYFYTJSA-N -1 3 391.718 3.853 20 30 GHEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509220317 856031119 /nfs/dbraw/zinc/03/11/19/856031119.db2.gz PERSFHXJZDQLQA-IINYFYTJSA-N -1 3 391.718 3.853 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1F ZINC000029055571 856281115 /nfs/dbraw/zinc/28/11/15/856281115.db2.gz DTKNGMALQGALOI-UHFFFAOYSA-N -1 3 376.453 3.666 20 30 GHEDHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000172830863 856626459 /nfs/dbraw/zinc/62/64/59/856626459.db2.gz AVYJDIXLAKXLKD-HXUWFJFHSA-N -1 3 393.531 3.974 20 30 GHEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000428052483 857062709 /nfs/dbraw/zinc/06/27/09/857062709.db2.gz HUDXYZZAQPSMAI-MRXNPFEDSA-N -1 3 388.464 3.807 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCCC(C)C)c1 ZINC000064424646 857148645 /nfs/dbraw/zinc/14/86/45/857148645.db2.gz OJALFWVCGHQSHM-UHFFFAOYSA-N -1 3 381.476 3.860 20 30 GHEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCOCC1 ZINC000657127734 858074250 /nfs/dbraw/zinc/07/42/50/858074250.db2.gz KUGQRCASISUBRY-UHFFFAOYSA-N -1 3 383.819 3.762 20 30 GHEDHM N#CC1(c2ccc(CN[C@@H](C(=O)[O-])c3cccc(Br)c3)cc2)CC1 ZINC000594691879 858255330 /nfs/dbraw/zinc/25/53/30/858255330.db2.gz YTYXISJLXQXYNC-QGZVFWFLSA-N -1 3 385.261 3.920 20 30 GHEDHM Cc1nc(-c2cnn(C)c2)sc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000605363177 863008723 /nfs/dbraw/zinc/00/87/23/863008723.db2.gz NHGDFNHHPQTPJB-CYBMUJFWSA-N -1 3 376.445 3.527 20 30 GHEDHM C=CCCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000474080341 858809319 /nfs/dbraw/zinc/80/93/19/858809319.db2.gz GPMRDBGTOYOYRI-UHFFFAOYSA-N -1 3 379.888 3.762 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccsc1C(F)(F)F ZINC000601688327 859460942 /nfs/dbraw/zinc/46/09/42/859460942.db2.gz PHBGCLKUSCGTPD-UHFFFAOYSA-N -1 3 383.395 3.605 20 30 GHEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000611114438 859611423 /nfs/dbraw/zinc/61/14/23/859611423.db2.gz OLFKHWUMLHJNFI-SNVBAGLBSA-N -1 3 399.232 3.684 20 30 GHEDHM N#CC1(c2ccccn2)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598718197 860527055 /nfs/dbraw/zinc/52/70/55/860527055.db2.gz COZPMDXVEPYUMI-UHFFFAOYSA-N -1 3 375.350 3.504 20 30 GHEDHM Cc1cccc([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000125772478 860771145 /nfs/dbraw/zinc/77/11/45/860771145.db2.gz BXJUZOGHCRODMK-NRFANRHFSA-N -1 3 377.488 3.777 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CC23CCCCC3)CCCC1 ZINC000329103887 861021533 /nfs/dbraw/zinc/02/15/33/861021533.db2.gz GGUPVJBQZQIOBS-OAHLLOKOSA-N -1 3 395.525 3.562 20 30 GHEDHM Cc1oc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1S(C)(=O)=O ZINC000599408649 861178329 /nfs/dbraw/zinc/17/83/29/861178329.db2.gz AGNYQQBILAPLAE-LLVKDONJSA-N -1 3 378.475 3.638 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000130279668 881673369 /nfs/dbraw/zinc/67/33/69/881673369.db2.gz SYNMYFBPKCUTJR-ZDUSSCGKSA-N -1 3 387.779 3.526 20 30 GHEDHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736329795 865182273 /nfs/dbraw/zinc/18/22/73/865182273.db2.gz VKHFYYKPVHCMBM-KOTGUFOOSA-N -1 3 388.431 3.568 20 30 GHEDHM CC[C@@H](C)Oc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736329795 865182275 /nfs/dbraw/zinc/18/22/75/865182275.db2.gz VKHFYYKPVHCMBM-KOTGUFOOSA-N -1 3 388.431 3.568 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccc4c(c3)OCO4)CCCCC2)c1[O-] ZINC000920177586 881886359 /nfs/dbraw/zinc/88/63/59/881886359.db2.gz IDPIJONJXULBQO-FOKLQQMPSA-N -1 3 382.460 3.638 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(Br)c2)c1 ZINC000127155926 865598568 /nfs/dbraw/zinc/59/85/68/865598568.db2.gz UZKXYDMEUUWDKR-HNNXBMFYSA-N -1 3 391.196 3.558 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(Br)c2)c1 ZINC000127156159 865598748 /nfs/dbraw/zinc/59/87/48/865598748.db2.gz UZKXYDMEUUWDKR-OAHLLOKOSA-N -1 3 391.196 3.558 20 30 GHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)cc1 ZINC000793124702 881931445 /nfs/dbraw/zinc/93/14/45/881931445.db2.gz MRHDTSFNVPZWDY-RDTXWAMCSA-N -1 3 392.459 3.740 20 30 GHEDHM O=C1C[C@@H](C/N=C/c2cc(Br)ccc2[O-])CN1Cc1ccccc1 ZINC000179366321 866224000 /nfs/dbraw/zinc/22/40/00/866224000.db2.gz AEQQUMRYCWOGJN-FPQGOQEYSA-N -1 3 387.277 3.622 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Oc2ccccc2Cl)nc1 ZINC000747106025 881983810 /nfs/dbraw/zinc/98/38/10/881983810.db2.gz JOCNYZBODBVDQM-AWEZNQCLSA-N -1 3 392.802 3.883 20 30 GHEDHM COC(=O)C[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(C(C)(C)C)cc1 ZINC000737445298 866770102 /nfs/dbraw/zinc/77/01/02/866770102.db2.gz ZSECCIFQYCGWPI-BTMMFNIDSA-N -1 3 384.476 3.609 20 30 GHEDHM N#Cc1ccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)cc1 ZINC000445984776 869238266 /nfs/dbraw/zinc/23/82/66/869238266.db2.gz DCVYGLRDUQASAE-OAHLLOKOSA-N -1 3 375.306 3.728 20 30 GHEDHM CCN(CCC#N)C(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746077745 869990945 /nfs/dbraw/zinc/99/09/45/869990945.db2.gz AQMYSBHSAQWHIX-UHFFFAOYSA-N -1 3 386.835 3.632 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)c(F)cc1F ZINC000538899377 870884780 /nfs/dbraw/zinc/88/47/80/870884780.db2.gz GNYVWGNYUJWNSE-AWEZNQCLSA-N -1 3 390.333 3.835 20 30 GHEDHM C=CCCC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000540536940 871521103 /nfs/dbraw/zinc/52/11/03/871521103.db2.gz CFCAQYMDGUYELZ-GFCCVEGCSA-N -1 3 393.336 3.523 20 30 GHEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000443366890 871660337 /nfs/dbraw/zinc/66/03/37/871660337.db2.gz VBNFUVVVXVHYAK-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001194424051 871691084 /nfs/dbraw/zinc/69/10/84/871691084.db2.gz CBSULMVGZIJXMH-UHFFFAOYSA-N -1 3 391.287 3.628 20 30 GHEDHM CN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1cccc(C#N)c1 ZINC000182231364 872071046 /nfs/dbraw/zinc/07/10/46/872071046.db2.gz AALUXNZGRVUXCJ-QFIPXVFZSA-N -1 3 399.450 3.788 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(SCC#N)c3)c2)n1 ZINC000175625442 882605604 /nfs/dbraw/zinc/60/56/04/882605604.db2.gz WMHQYUWTBYNXRA-UHFFFAOYSA-N -1 3 390.468 3.867 20 30 GHEDHM COC(=O)c1[n-]cnc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC001272350030 872590961 /nfs/dbraw/zinc/59/09/61/872590961.db2.gz KLKDKOUTOUOGDY-UHFFFAOYSA-N -1 3 396.790 3.766 20 30 GHEDHM COC(=O)c1nc[n-]c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC001272350030 872590968 /nfs/dbraw/zinc/59/09/68/872590968.db2.gz KLKDKOUTOUOGDY-UHFFFAOYSA-N -1 3 396.790 3.766 20 30 GHEDHM C[C@@H](C#N)c1ccc(NC(=O)c2cc([O-])cc(I)c2)cc1 ZINC001196417500 873101732 /nfs/dbraw/zinc/10/17/32/873101732.db2.gz KOYRSTQXZQQRGA-JTQLQIEISA-N -1 3 392.196 3.876 20 30 GHEDHM C[Si](C)(C)C#Cc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197464475 873820237 /nfs/dbraw/zinc/82/02/37/873820237.db2.gz DFLJGYQYUKSPMV-UHFFFAOYSA-N -1 3 378.957 3.906 20 30 GHEDHM CCOc1cc(C=NN2CCc3ccccc3C2=O)cc(Br)c1[O-] ZINC000769592360 874170623 /nfs/dbraw/zinc/17/06/23/874170623.db2.gz IJRLWIFPRPJBKB-UHFFFAOYSA-N -1 3 389.249 3.586 20 30 GHEDHM N#Cc1c2ccccc2sc1[N-]C(=O)c1cncc(OCC(F)(F)F)n1 ZINC001197994111 874173858 /nfs/dbraw/zinc/17/38/58/874173858.db2.gz XKCUJXMJQSCEHF-UHFFFAOYSA-N -1 3 378.335 3.756 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3occc3c2)c(F)c1 ZINC001198861936 874672986 /nfs/dbraw/zinc/67/29/86/874672986.db2.gz NPBMBPNZCXALKO-UHFFFAOYSA-N -1 3 375.377 3.716 20 30 GHEDHM O=C(Nc1ccc(Sc2ccccc2Cl)cc1)N[C@@H]1CCCN([O-])C1=O ZINC001199215830 874855198 /nfs/dbraw/zinc/85/51/98/874855198.db2.gz CIDZNUAKOJEYKC-OAHLLOKOSA-N -1 3 391.880 3.993 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccn(C(F)F)n1 ZINC000776076966 875308898 /nfs/dbraw/zinc/30/88/98/875308898.db2.gz LXNSXCKRFRWICF-SNVBAGLBSA-N -1 3 386.330 3.554 20 30 GHEDHM C=CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000786669876 876882930 /nfs/dbraw/zinc/88/29/30/876882930.db2.gz HVEAZNQSOIWZNU-UHFFFAOYSA-N -1 3 396.871 3.928 20 30 GHEDHM COc1cc(Br)ccc1[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000787142915 877191791 /nfs/dbraw/zinc/19/17/91/877191791.db2.gz YHCCSVQNIRUXMG-OTWRLEFPSA-N -1 3 379.254 3.539 20 30 GHEDHM C[C@H](OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)NC1(C#N)CCC1 ZINC000787725037 877588899 /nfs/dbraw/zinc/58/88/99/877588899.db2.gz LJDYRXFOHINMCL-ZDUSSCGKSA-N -1 3 398.846 3.820 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccn2Cc2cccs2)n1 ZINC000067897148 877611857 /nfs/dbraw/zinc/61/18/57/877611857.db2.gz LGAQUDCXRZJWGH-ZDUSSCGKSA-N -1 3 385.470 3.721 20 30 GHEDHM O=C1Nc2ccc(Br)c(Cl)c2C1=N[N-]c1ncccc1Cl ZINC000788016929 877778448 /nfs/dbraw/zinc/77/84/48/877778448.db2.gz YZWBQDCYTRICFD-UHFFFAOYSA-N -1 3 386.036 3.919 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000452659138 879825617 /nfs/dbraw/zinc/82/56/17/879825617.db2.gz XLLKOVYMWGNUGM-UHFFFAOYSA-N -1 3 392.459 3.896 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C(=O)OC(C)C)cc1 ZINC000747009021 880384071 /nfs/dbraw/zinc/38/40/71/880384071.db2.gz ZLEDLVMSFGRRKL-UHFFFAOYSA-N -1 3 396.443 3.517 20 30 GHEDHM C=CCCO[N-]C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000856031515 880927563 /nfs/dbraw/zinc/92/75/63/880927563.db2.gz SFXBOWPRNSVIMX-UHFFFAOYSA-N -1 3 379.254 3.969 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609377604 883120105 /nfs/dbraw/zinc/12/01/05/883120105.db2.gz BKZQSWQGERBWLK-LLVKDONJSA-N -1 3 385.401 3.828 20 30 GHEDHM N#Cc1cccc([C@@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CCO2)c1 ZINC000761766946 884194713 /nfs/dbraw/zinc/19/47/13/884194713.db2.gz PHYDTFDNBDWQRI-SFHVURJKSA-N -1 3 386.411 3.527 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC2(c3cccc(Br)c3)CCC2)c1[O-] ZINC000918714215 884215160 /nfs/dbraw/zinc/21/51/60/884215160.db2.gz WWKNMMWFKOJHSP-FBHDLOMBSA-N -1 3 389.293 3.891 20 30 GHEDHM CC(C)(C#N)CCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795781468 912815133 /nfs/dbraw/zinc/81/51/33/912815133.db2.gz LNRAGSWCVYBFGH-UHFFFAOYSA-N -1 3 392.399 3.564 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000860469806 884708952 /nfs/dbraw/zinc/70/89/52/884708952.db2.gz KZAHRAFXJYNEMU-IRBZQWRBSA-N -1 3 396.487 3.581 20 30 GHEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)CNc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000919625863 886031608 /nfs/dbraw/zinc/03/16/08/886031608.db2.gz AKONQXQLSAYHLU-LLVKDONJSA-N -1 3 382.445 3.602 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cn2ccc3cccc(C)c32)c(C)c1[O-] ZINC001184194062 913053023 /nfs/dbraw/zinc/05/30/23/913053023.db2.gz SKCDRSRYJULCKK-UHFFFAOYSA-N -1 3 391.427 3.651 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000171727190 887094623 /nfs/dbraw/zinc/09/46/23/887094623.db2.gz RJIJFIKFOZWDFI-CQSZACIVSA-N -1 3 379.485 3.888 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1[O-] ZINC000763097810 887640855 /nfs/dbraw/zinc/64/08/55/887640855.db2.gz QLXWGTGPTCHPLK-UHFFFAOYSA-N -1 3 399.454 3.645 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc3ccccc3nc2N2CCOCC2)ccc1[O-] ZINC000916157564 888775511 /nfs/dbraw/zinc/77/55/11/888775511.db2.gz JRTWQLLHVVTKGL-FPLPWBNLSA-N -1 3 390.439 3.682 20 30 GHEDHM COc1ccccc1C=CC=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916320620 888922096 /nfs/dbraw/zinc/92/20/96/888922096.db2.gz DFMABRFBYDSGIE-FKDCPGSRSA-N -1 3 394.456 3.635 20 30 GHEDHM Cc1cc(C)c(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c(C)c1 ZINC000916321229 888922535 /nfs/dbraw/zinc/92/25/35/888922535.db2.gz VICRHZZQVAXEGF-GOSISDBHSA-N -1 3 380.473 3.887 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000121715050 889100090 /nfs/dbraw/zinc/10/00/90/889100090.db2.gz MCRWVZZSNAMAIL-GOSISDBHSA-N -1 3 399.385 3.521 20 30 GHEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cccc2ncccc21 ZINC000811183998 889270049 /nfs/dbraw/zinc/27/00/49/889270049.db2.gz DWYAYMBSMCITRI-HXUWFJFHSA-N -1 3 389.411 3.632 20 30 GHEDHM Cc1cc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c(C)n1Cc1ccco1 ZINC000811184387 889272027 /nfs/dbraw/zinc/27/20/27/889272027.db2.gz NNHIGDPHBUFLSA-HNNXBMFYSA-N -1 3 392.411 3.752 20 30 GHEDHM C=CC[C@H](CC)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868575084 889509605 /nfs/dbraw/zinc/50/96/05/889509605.db2.gz YLBNFSHKXHCHSL-KBPBESRZSA-N -1 3 383.414 3.723 20 30 GHEDHM N#Cc1ccsc1N1CC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1=O ZINC000811395028 889535898 /nfs/dbraw/zinc/53/58/98/889535898.db2.gz RHEYIVLXFWRKGK-NSHDSACASA-N -1 3 391.861 3.778 20 30 GHEDHM COc1ccccc1[C@H](CC(C)C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000173580739 889698365 /nfs/dbraw/zinc/69/83/65/889698365.db2.gz HMAATUVMKTWCMZ-FQEVSTJZSA-N -1 3 395.503 3.708 20 30 GHEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C#N)c2)cc1 ZINC000125816155 890176016 /nfs/dbraw/zinc/17/60/16/890176016.db2.gz OXXPIYVDIOHTQA-INIZCTEOSA-N -1 3 399.516 3.780 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn(CC2CC2)c1 ZINC000870142106 890229713 /nfs/dbraw/zinc/22/97/13/890229713.db2.gz GJGYHFRECOIWAQ-CYBMUJFWSA-N -1 3 377.231 3.561 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1-c1ccccc1 ZINC000916912606 890414368 /nfs/dbraw/zinc/41/43/68/890414368.db2.gz RPEUNHLPKSJCHB-HNNXBMFYSA-N -1 3 378.819 3.795 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(-c2cccs2)oc1C ZINC000916933236 890425382 /nfs/dbraw/zinc/42/53/82/890425382.db2.gz AMXNNWMNMVJRGI-GFCCVEGCSA-N -1 3 381.413 3.681 20 30 GHEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1O ZINC000812415433 890610055 /nfs/dbraw/zinc/61/00/55/890610055.db2.gz FCCKQOARTQOJNW-UHFFFAOYSA-N -1 3 378.432 3.929 20 30 GHEDHM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000813217463 891373253 /nfs/dbraw/zinc/37/32/53/891373253.db2.gz LPBKXMYLGVKNRO-AWEZNQCLSA-N -1 3 375.306 3.547 20 30 GHEDHM CC(=O)[C@](C#N)(CCOC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000873379450 891606094 /nfs/dbraw/zinc/60/60/94/891606094.db2.gz DENROCMIWULMKW-JOCHJYFZSA-N -1 3 383.419 3.838 20 30 GHEDHM CC(=O)[C@@](C#N)(CCOC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000873379453 891606337 /nfs/dbraw/zinc/60/63/37/891606337.db2.gz DENROCMIWULMKW-QFIPXVFZSA-N -1 3 383.419 3.838 20 30 GHEDHM N#CCSCCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000805504244 892016897 /nfs/dbraw/zinc/01/68/97/892016897.db2.gz GHNWQWMVVTYSEW-UHFFFAOYSA-N -1 3 380.267 3.643 20 30 GHEDHM COc1ccccc1[C@@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000609263056 892239324 /nfs/dbraw/zinc/23/93/24/892239324.db2.gz HCVKSJOOCUFDDV-FQEVSTJZSA-N -1 3 393.487 3.971 20 30 GHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CC(=O)OC)c1ccc(OC(F)(F)F)cc1 ZINC000815051705 893369193 /nfs/dbraw/zinc/36/91/93/893369193.db2.gz YAMUJTQGYKAPAC-LBPRGKRZSA-N -1 3 381.297 3.517 20 30 GHEDHM CCN(CC)c1nc2sc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2s1 ZINC000126330809 893481374 /nfs/dbraw/zinc/48/13/74/893481374.db2.gz LEYPMQLELBHXKR-LLVKDONJSA-N -1 3 399.501 3.560 20 30 GHEDHM N#Cc1ccccc1-c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000536905718 894079524 /nfs/dbraw/zinc/07/95/24/894079524.db2.gz QBGFWNRLVDJWMR-UHFFFAOYSA-N -1 3 393.424 3.612 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000778298272 894154427 /nfs/dbraw/zinc/15/44/27/894154427.db2.gz PFBAGMIZMCQFJI-KRWDZBQOSA-N -1 3 378.819 3.795 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000569075905 898325172 /nfs/dbraw/zinc/32/51/72/898325172.db2.gz DGQUEAAVTSJGGU-TZIWHRDSSA-N -1 3 377.488 3.764 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNc3nc4ccccn4c3-c3nnn[n-]3)c2)s1 ZINC000826384149 899001617 /nfs/dbraw/zinc/00/16/17/899001617.db2.gz ISQKFQLBNIDQOH-UHFFFAOYSA-N -1 3 398.455 3.727 20 30 GHEDHM N#Cc1ccc(-c2cccc(CNc3nc4ccccn4c3-c3nn[n-]n3)c2)s1 ZINC000826384149 899001625 /nfs/dbraw/zinc/00/16/25/899001625.db2.gz ISQKFQLBNIDQOH-UHFFFAOYSA-N -1 3 398.455 3.727 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(Cc2ccccc2)cc1 ZINC000156165364 899464746 /nfs/dbraw/zinc/46/47/46/899464746.db2.gz FWNALZXBKQISSP-UHFFFAOYSA-N -1 3 386.451 3.992 20 30 GHEDHM CCCCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1Cl ZINC000825301262 900078968 /nfs/dbraw/zinc/07/89/68/900078968.db2.gz KWERPJDOZJYDAL-FPLPWBNLSA-N -1 3 388.834 3.860 20 30 GHEDHM CCCCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1Cl ZINC000825301262 900078978 /nfs/dbraw/zinc/07/89/78/900078978.db2.gz KWERPJDOZJYDAL-FPLPWBNLSA-N -1 3 388.834 3.860 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccc2ccccc2n1 ZINC000845658545 902313071 /nfs/dbraw/zinc/31/30/71/902313071.db2.gz ZOVXVXDXGFAIAZ-UHFFFAOYSA-N -1 3 375.428 3.542 20 30 GHEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCOC)c(C)c1 ZINC000578839698 904169137 /nfs/dbraw/zinc/16/91/37/904169137.db2.gz VGLKMAGSYDXUKX-UHFFFAOYSA-N -1 3 375.490 3.940 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000773149131 904491239 /nfs/dbraw/zinc/49/12/39/904491239.db2.gz KVGBMLQSJNYDOM-JCMHNJIXSA-N -1 3 379.419 3.626 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC001171515846 904789971 /nfs/dbraw/zinc/78/99/71/904789971.db2.gz BOZFAFTURTXOCS-INIZCTEOSA-N -1 3 382.769 3.682 20 30 GHEDHM Cn1cc([C@@H]([N-]C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)C(F)(F)F)cn1 ZINC000801699429 921398285 /nfs/dbraw/zinc/39/82/85/921398285.db2.gz ALCJDGWSRSZLPZ-VXGBXAGGSA-N -1 3 383.267 3.869 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CC2CCC(F)(F)CC2)c(C)c1[O-] ZINC001181432790 910785878 /nfs/dbraw/zinc/78/58/78/910785878.db2.gz FGJUIRRYJKGAIX-UHFFFAOYSA-N -1 3 380.391 3.903 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)c2ccccc21 ZINC001181933597 911087941 /nfs/dbraw/zinc/08/79/41/911087941.db2.gz FBAPBFXJOWRUBC-INIZCTEOSA-N -1 3 379.416 3.741 20 30 GHEDHM C[C@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000773977040 911184986 /nfs/dbraw/zinc/18/49/86/911184986.db2.gz WTLIBVZSGOIFQB-IFXJQAMLSA-N -1 3 399.482 3.857 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773981134 911195070 /nfs/dbraw/zinc/19/50/70/911195070.db2.gz XCAHZZJKYPSHLH-HNNXBMFYSA-N -1 3 396.809 3.685 20 30 GHEDHM Cc1nc(-c2ccccc2C)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000773986925 911235877 /nfs/dbraw/zinc/23/58/77/911235877.db2.gz FWRXTDHLOGJQMG-OAHLLOKOSA-N -1 3 376.441 3.783 20 30 GHEDHM CCOc1cc(/C=C2/CCc3c(cnn3-c3ncccn3)C2=O)cc(Cl)c1[O-] ZINC000366529470 921666986 /nfs/dbraw/zinc/66/69/86/921666986.db2.gz KZLCCSHZWNUSJN-JYRVWZFOSA-N -1 3 396.834 3.633 20 30 GHEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)ccc1C#N ZINC001187070659 915001449 /nfs/dbraw/zinc/00/14/49/915001449.db2.gz CQCMBQPAQJDASU-UHFFFAOYSA-N -1 3 399.255 3.594 20 30 GHEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 ZINC001188361345 915929215 /nfs/dbraw/zinc/92/92/15/915929215.db2.gz CQPUHBLWMDCCSJ-CQSZACIVSA-N -1 3 399.255 3.945 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)[n-]n1 ZINC001188695961 916118740 /nfs/dbraw/zinc/11/87/40/916118740.db2.gz FBIRAPNGJGQEBS-UHFFFAOYSA-N -1 3 378.363 3.516 20 30 GHEDHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)n[n-]1 ZINC001188695961 916118749 /nfs/dbraw/zinc/11/87/49/916118749.db2.gz FBIRAPNGJGQEBS-UHFFFAOYSA-N -1 3 378.363 3.516 20 30 GHEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001189864029 916964163 /nfs/dbraw/zinc/96/41/63/916964163.db2.gz UFBMKAVHASRJOB-ZDUSSCGKSA-N -1 3 399.335 3.653 20 30 GHEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001190636030 917466789 /nfs/dbraw/zinc/46/67/89/917466789.db2.gz ADAVQDPAXIBHRU-UHFFFAOYSA-N -1 3 377.713 3.821 20 30 GHEDHM N#Cc1cnoc1[N-]C(=O)Nc1ccc(Br)cc1Br ZINC001191512767 918037609 /nfs/dbraw/zinc/03/76/09/918037609.db2.gz DDVLTJFJGSLJCD-UHFFFAOYSA-N -1 3 386.003 3.715 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c(Cl)c1 ZINC000800838862 920517059 /nfs/dbraw/zinc/51/70/59/920517059.db2.gz OVOYYDMBMZTCRV-UHFFFAOYSA-N -1 3 381.240 3.795 20 30 GHEDHM CCc1ccc(S(C)(=O)=O)cc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370583 921046275 /nfs/dbraw/zinc/04/62/75/921046275.db2.gz AJXFANYWUYQINA-UHFFFAOYSA-N -1 3 383.469 3.837 20 30 GHEDHM CC(C)NS(=O)(=O)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC000901370619 921046341 /nfs/dbraw/zinc/04/63/41/921046341.db2.gz LFHNKKQMUKFUSL-UHFFFAOYSA-N -1 3 398.484 3.558 20 30 GHEDHM O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N([O-])Cc1ccc(F)cc1 ZINC000901376133 921054064 /nfs/dbraw/zinc/05/40/64/921054064.db2.gz ONAWRIHUFFLPCV-OAHLLOKOSA-N -1 3 380.828 3.700 20 30 GHEDHM C[C@H]1Oc2c(cccc2C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)NC1=O ZINC000901378407 921055473 /nfs/dbraw/zinc/05/54/73/921055473.db2.gz KXCFJYVELCIRFT-SECBINFHSA-N -1 3 381.215 3.744 20 30 GHEDHM COc1ccc2c(c1)OC[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C2 ZINC000901378173 921055869 /nfs/dbraw/zinc/05/58/69/921055869.db2.gz IOWABIPBZKTGAS-ZDUSSCGKSA-N -1 3 382.243 3.971 20 30 GHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C#N)c(Cl)n3)c2)n1 ZINC000370647597 924229321 /nfs/dbraw/zinc/22/93/21/924229321.db2.gz ITEOOEHZWHUTAM-UHFFFAOYSA-N -1 3 379.807 3.584 20 30 GHEDHM C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3c(Cl)cc([O-])cc3Cl)C2)C1=O ZINC001276167244 926490264 /nfs/dbraw/zinc/49/02/64/926490264.db2.gz STGKDSFXJCBAJA-IBGZPJMESA-N -1 3 397.302 3.616 20 30 GHEDHM C[C@@H](C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000467944731 929619022 /nfs/dbraw/zinc/61/90/22/929619022.db2.gz AIEZRRQDAGCHND-JTQLQIEISA-N -1 3 398.271 3.892 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(Cl)c2)cc1 ZINC000757302387 929687476 /nfs/dbraw/zinc/68/74/76/929687476.db2.gz AJQGGMXWDKJRQF-INIZCTEOSA-N -1 3 388.782 3.617 20 30 GHEDHM CC[C@@H](Cc1ccccc1Br)/N=C\c1c([O-])c(C)ncc1CO ZINC000759643352 930436579 /nfs/dbraw/zinc/43/65/79/930436579.db2.gz MAQJTPZTPCOYAE-UNUHRMFVSA-N -1 3 377.282 3.791 20 30 GHEDHM Fc1c(Cl)cccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000759648507 930438833 /nfs/dbraw/zinc/43/88/33/930438833.db2.gz MKAHYILDIJRPHW-AWEZNQCLSA-N -1 3 390.827 3.754 20 30 GHEDHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N)=C2 ZINC000829906449 935880424 /nfs/dbraw/zinc/88/04/24/935880424.db2.gz KMARAWYJHYGJCB-CQSZACIVSA-N -1 3 384.457 3.715 20 30 GHEDHM C#CC1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC001573279615 946646155 /nfs/dbraw/zinc/64/61/55/946646155.db2.gz JTLUPZMTKSPAQJ-UHFFFAOYSA-N -1 3 388.431 3.536 20 30 GHEDHM C#CC1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001573279615 946646164 /nfs/dbraw/zinc/64/61/64/946646164.db2.gz JTLUPZMTKSPAQJ-UHFFFAOYSA-N -1 3 388.431 3.536 20 30 GHEDHM C#CCN(C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCc2ccccc21 ZINC001573281837 946681700 /nfs/dbraw/zinc/68/17/00/946681700.db2.gz CDOFOUBLWCQDQY-VGSWGCGISA-N -1 3 399.498 3.585 20 30 GHEDHM C#CCN(C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCc2ccccc21 ZINC001573281837 946681704 /nfs/dbraw/zinc/68/17/04/946681704.db2.gz CDOFOUBLWCQDQY-VGSWGCGISA-N -1 3 399.498 3.585 20 30 GHEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCCCCC1 ZINC001573298210 947071308 /nfs/dbraw/zinc/07/13/08/947071308.db2.gz OEXUCRSVLFUPNQ-UHFFFAOYSA-N -1 3 398.902 3.648 20 30 GHEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCCCCC1 ZINC001573298210 947071320 /nfs/dbraw/zinc/07/13/20/947071320.db2.gz OEXUCRSVLFUPNQ-UHFFFAOYSA-N -1 3 398.902 3.648 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001573341295 947530033 /nfs/dbraw/zinc/53/00/33/947530033.db2.gz LAPKQWHCGSXIFB-NLWGTHIKSA-N -1 3 379.508 3.988 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001573341295 947530044 /nfs/dbraw/zinc/53/00/44/947530044.db2.gz LAPKQWHCGSXIFB-NLWGTHIKSA-N -1 3 379.508 3.988 20 30 GHEDHM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001575868840 949468211 /nfs/dbraw/zinc/46/82/11/949468211.db2.gz PHDBGRMSZUEHFN-POYBYMJQSA-N -1 3 383.271 3.802 20 30 GHEDHM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001575868840 949468225 /nfs/dbraw/zinc/46/82/25/949468225.db2.gz PHDBGRMSZUEHFN-POYBYMJQSA-N -1 3 383.271 3.802 20 30 GHEDHM O=[N+]([O-])c1cccc2ncnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c21 ZINC001155914319 1032791059 /nfs/dbraw/zinc/79/10/59/1032791059.db2.gz MNIXFVCQEKFSIX-UHFFFAOYSA-N -1 3 393.281 3.685 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2cc(-c3ccccc3)nc(=S)[n-]2)C1 ZINC001228346198 1032899672 /nfs/dbraw/zinc/89/96/72/1032899672.db2.gz AHMGOTNKBCRVMP-GDBMZVCRSA-N -1 3 398.488 3.570 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3cnn(C)c3)o2)cc1 ZINC000835062358 1021840430 /nfs/dbraw/zinc/84/04/30/1021840430.db2.gz ODJREFWNAHENOV-SFHVURJKSA-N -1 3 390.443 3.984 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)Cc2cc(Br)ccc2F)c1[O-] ZINC000754684928 1022829862 /nfs/dbraw/zinc/82/98/62/1022829862.db2.gz CSQUOVVCWFUYJC-AUXCUJNGSA-N -1 3 381.245 3.540 20 30 GHEDHM [O-]c1ccc(CN=Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F ZINC000755716239 1023348722 /nfs/dbraw/zinc/34/87/22/1023348722.db2.gz DXFVLWQXJAHCPS-UHFFFAOYSA-N -1 3 377.301 3.848 20 30 GHEDHM CC1CCN(c2cncc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC001163765988 1026308650 /nfs/dbraw/zinc/30/86/50/1026308650.db2.gz QGTUDIWRKTVNPV-UHFFFAOYSA-N -1 3 395.385 3.859 20 30 GHEDHM COc1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ccc1NC(C)=O ZINC001163769020 1026310566 /nfs/dbraw/zinc/31/05/66/1026310566.db2.gz LDJPWNWTASRCRR-UHFFFAOYSA-N -1 3 383.326 3.800 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)ccc1C#N ZINC001211187953 1027832325 /nfs/dbraw/zinc/83/23/25/1027832325.db2.gz ZBIKKAGTKOHLOL-HNNXBMFYSA-N -1 3 390.333 3.727 20 30 GHEDHM CCOC(=O)c1ccc(-c2nc(-c3ccc(Br)cc3C#N)no2)[n-]1 ZINC001213975151 1028483537 /nfs/dbraw/zinc/48/35/37/1028483537.db2.gz UVHDDHHWGQKTQN-UHFFFAOYSA-N -1 3 387.193 3.543 20 30 GHEDHM CCN1CCN(c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2F)CC1 ZINC000842940867 1029703165 /nfs/dbraw/zinc/70/31/65/1029703165.db2.gz KRONOOIHVBNFBF-INIZCTEOSA-N -1 3 398.507 3.792 20 30 GHEDHM O=c1cc(CO[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)nc2ccccn12 ZINC001224257856 1030944993 /nfs/dbraw/zinc/94/49/93/1030944993.db2.gz BSIBUUBMSBDWQK-KJHJVXMBSA-N -1 3 385.423 3.831 20 30 GHEDHM CCOC(=O)c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c([O-])c1 ZINC001153027383 1031436609 /nfs/dbraw/zinc/43/66/09/1031436609.db2.gz GNMNRZNXXHXZDR-UHFFFAOYSA-N -1 3 378.428 3.891 20 30 GHEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(C(F)(F)F)nc(=S)[n-]1 ZINC001225852969 1031653475 /nfs/dbraw/zinc/65/34/75/1031653475.db2.gz MWRFPGOEOVUJRR-SNVBAGLBSA-N -1 3 391.415 3.729 20 30 GHEDHM C=C1CC=C(F)C=C1NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153881382 1031789701 /nfs/dbraw/zinc/78/97/01/1031789701.db2.gz PLXRRLWNJQNFHO-UHFFFAOYSA-N -1 3 375.197 3.718 20 30 GHEDHM CCN1CCC[C@H](Oc2c(O)ccc(/C=C/C(=O)c3ccc([O-])cc3)c2OC)C1 ZINC001230153279 1033921132 /nfs/dbraw/zinc/92/11/32/1033921132.db2.gz DGHHCXBLWYGLAP-BEBFYNPSSA-N -1 3 397.471 3.866 20 30 GHEDHM C#C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccc(F)cc1 ZINC001159131954 1034442040 /nfs/dbraw/zinc/44/20/40/1034442040.db2.gz AYILONCNYXROIK-INIZCTEOSA-N -1 3 399.219 3.534 20 30 GHEDHM Cc1c(CC(=O)N([O-])CCCCc2ccccc2)nnn1-c1ccc(C)cc1 ZINC001161807642 1035306527 /nfs/dbraw/zinc/30/65/27/1035306527.db2.gz LYDABHYDMRXUSF-UHFFFAOYSA-N -1 3 378.476 3.667 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])c(F)cc1F ZINC001462283749 1070142478 /nfs/dbraw/zinc/14/24/78/1070142478.db2.gz JCEPTFLVYXYFDE-UHFFFAOYSA-N -1 3 382.120 3.759 20 30 GHEDHM COc1c(O[C@@H]2CC[C@H](C#N)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234126485 1039870648 /nfs/dbraw/zinc/87/06/48/1039870648.db2.gz ICIUORUUNWHCBD-QWHCGFSZSA-N -1 3 377.396 3.556 20 30 GHEDHM N#Cc1cccc2nc(=O)[n-]c(O/C(=C\[C@H](O)C(F)(F)F)c3cccs3)c12 ZINC001234512213 1040090296 /nfs/dbraw/zinc/09/02/96/1040090296.db2.gz BAIILBJAWZISCB-YLBKJLTLSA-N -1 3 393.346 3.612 20 30 GHEDHM C#CC[C@@H](C)Oc1c(OC)cc(=O)c2c([O-])cc(-c3ccccc3OC)oc1-2 ZINC001234731406 1040260710 /nfs/dbraw/zinc/26/07/10/1040260710.db2.gz GBWYGNYUEFNKSG-CYBMUJFWSA-N -1 3 380.396 3.973 20 30 GHEDHM N#CCCCN1CC2(CCC1=O)CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001277919126 1040535688 /nfs/dbraw/zinc/53/56/88/1040535688.db2.gz RTDMBWZCYTYUHP-UHFFFAOYSA-N -1 3 375.900 3.554 20 30 GHEDHM N#Cc1cccc(OCCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC001257293106 1043959575 /nfs/dbraw/zinc/95/95/75/1043959575.db2.gz HWODUMWVGLEOTM-UHFFFAOYSA-N -1 3 385.272 3.612 20 30 GHEDHM COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC001294462203 1044646082 /nfs/dbraw/zinc/64/60/82/1044646082.db2.gz IOVJPMDCJDGEFQ-INIZCTEOSA-N -1 3 392.789 3.724 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)ccc1F ZINC001259412175 1045135005 /nfs/dbraw/zinc/13/50/05/1045135005.db2.gz SIJBKOMKOSGEBN-UHFFFAOYSA-N -1 3 379.722 3.565 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC001260818840 1045685890 /nfs/dbraw/zinc/68/58/90/1045685890.db2.gz BCISDCITPRJXOZ-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001306894416 1048948754 /nfs/dbraw/zinc/94/87/54/1048948754.db2.gz LCEMHABMAILQQQ-LIRRHRJNSA-N -1 3 380.872 3.705 20 30 GHEDHM CC(C)(C)OC(=O)N1[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CC[C@H]1C1CC1 ZINC001306898657 1048950940 /nfs/dbraw/zinc/95/09/40/1048950940.db2.gz MDIPIQKRWGHLLX-IRXDYDNUSA-N -1 3 378.444 3.722 20 30 GHEDHM CCOc1cccc(S(=O)(=O)[N-][C@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC001309794015 1050976651 /nfs/dbraw/zinc/97/66/51/1050976651.db2.gz TZCNITQQPGWHEB-MRXNPFEDSA-N -1 3 384.379 3.539 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccc1OC(F)F ZINC001317760806 1054249505 /nfs/dbraw/zinc/24/95/05/1054249505.db2.gz TTWIGMHBRKESMR-UHFFFAOYSA-N -1 3 391.399 3.642 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=Nc2ccccn2)n1N=Cc1ccco1 ZINC001319234171 1055112442 /nfs/dbraw/zinc/11/24/42/1055112442.db2.gz ZLHKRUQIRHAXKM-UHFFFAOYSA-N -1 3 378.413 3.730 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001450266396 1060566076 /nfs/dbraw/zinc/56/60/76/1060566076.db2.gz FYUYEMDVTZYIDH-GOSISDBHSA-N -1 3 395.846 3.665 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C[C@H](C)c1ccccc1 ZINC001341836978 1060916596 /nfs/dbraw/zinc/91/65/96/1060916596.db2.gz BEPMIDBTBOJWEO-HNNXBMFYSA-N -1 3 378.480 3.565 20 30 GHEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)(C2CC2)CC1 ZINC001342196710 1061123491 /nfs/dbraw/zinc/12/34/91/1061123491.db2.gz VRYGIOAWYQIPDY-UHFFFAOYSA-N -1 3 398.486 3.613 20 30 GHEDHM CC(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](C#N)C1 ZINC001347311120 1062287763 /nfs/dbraw/zinc/28/77/63/1062287763.db2.gz XCNQFRIEMZLYQE-CYBMUJFWSA-N -1 3 382.493 3.656 20 30 GHEDHM N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc4sccc4c([O-])c3)C2)nc1 ZINC001456060923 1062457182 /nfs/dbraw/zinc/45/71/82/1062457182.db2.gz JXWGMFZLUULTPM-OAHLLOKOSA-N -1 3 378.457 3.590 20 30 GHEDHM COC(=O)c1cc(Br)cc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001457996568 1063495979 /nfs/dbraw/zinc/49/59/79/1063495979.db2.gz ZSNJWVDFQBKLLV-UHFFFAOYSA-N -1 3 398.640 3.921 20 30 GHEDHM Cc1cccc2cc(C(=O)N([O-])CCCN3C(=O)c4ccccc4C3=O)sc21 ZINC001458000009 1063497666 /nfs/dbraw/zinc/49/76/66/1063497666.db2.gz ADZYNHNGQLIAEC-UHFFFAOYSA-N -1 3 394.452 3.727 20 30 GHEDHM C=CCCC[C@H](C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001350427643 1064083260 /nfs/dbraw/zinc/08/32/60/1064083260.db2.gz BLDCZRKFGZGGDT-UXHICEINSA-N -1 3 394.519 3.716 20 30 GHEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC001464213585 1064909851 /nfs/dbraw/zinc/90/98/51/1064909851.db2.gz RAUXLVOIORRWSE-UHFFFAOYSA-N -1 3 394.306 3.868 20 30 GHEDHM Cc1ccc2sc(C[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)nc2c1 ZINC001464276427 1064938401 /nfs/dbraw/zinc/93/84/01/1064938401.db2.gz SYVZPPBMVDKIFA-UHFFFAOYSA-N -1 3 377.878 3.608 20 30 GHEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001465367100 1065569183 /nfs/dbraw/zinc/56/91/83/1065569183.db2.gz QUHFLYSSGVJFGY-UHFFFAOYSA-N -1 3 393.428 3.524 20 30 GHEDHM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1sc(-c2ccccc2)cc1C#N ZINC001357752699 1067257156 /nfs/dbraw/zinc/25/71/56/1067257156.db2.gz DZDULMRJWDGJLF-UHFFFAOYSA-N -1 3 386.454 3.844 20 30 GHEDHM CCCCCCN([O-])C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001472619706 1073579158 /nfs/dbraw/zinc/57/91/58/1073579158.db2.gz TYPURTPLESIOSG-UHFFFAOYSA-N -1 3 398.569 3.695 20 30 GHEDHM CCOc1ccccc1N1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CC1=O ZINC001472619916 1073579616 /nfs/dbraw/zinc/57/96/16/1073579616.db2.gz IYPRAEJDGDOWQF-IBGZPJMESA-N -1 3 396.487 3.679 20 30 GHEDHM C=CCCCCCN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735408622 598838471 /nfs/dbraw/zinc/83/84/71/598838471.db2.gz PSBHKFLPUUKCDT-UHFFFAOYSA-N -1 3 395.463 3.857 20 30 GHEDHM N#Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1-c1nnn[n-]1 ZINC000737715887 598915429 /nfs/dbraw/zinc/91/54/29/598915429.db2.gz GXOKHQKSKGJEMD-UHFFFAOYSA-N -1 3 394.394 3.615 20 30 GHEDHM N#Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1-c1nn[n-]n1 ZINC000737715887 598915431 /nfs/dbraw/zinc/91/54/31/598915431.db2.gz GXOKHQKSKGJEMD-UHFFFAOYSA-N -1 3 394.394 3.615 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1-c1nnn[n-]1 ZINC000737719883 598922171 /nfs/dbraw/zinc/92/21/71/598922171.db2.gz WRGLYUDPVIGSPV-UHFFFAOYSA-N -1 3 378.461 3.711 20 30 GHEDHM N#Cc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1-c1nn[n-]n1 ZINC000737719883 598922172 /nfs/dbraw/zinc/92/21/72/598922172.db2.gz WRGLYUDPVIGSPV-UHFFFAOYSA-N -1 3 378.461 3.711 20 30 GHEDHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737325387 598925645 /nfs/dbraw/zinc/92/56/45/598925645.db2.gz FNXKZHILLWJTNG-UHFFFAOYSA-N -1 3 390.447 3.543 20 30 GHEDHM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737325387 598925647 /nfs/dbraw/zinc/92/56/47/598925647.db2.gz FNXKZHILLWJTNG-UHFFFAOYSA-N -1 3 390.447 3.543 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716941 598927693 /nfs/dbraw/zinc/92/76/93/598927693.db2.gz XGAUZONWAVSNMI-TZMCWYRMSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716941 598927695 /nfs/dbraw/zinc/92/76/95/598927695.db2.gz XGAUZONWAVSNMI-TZMCWYRMSA-N -1 3 399.241 3.787 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Br)cc1 ZINC000823503308 599114634 /nfs/dbraw/zinc/11/46/34/599114634.db2.gz CVIBURFPYPOPJH-UKTHLTGXSA-N -1 3 381.233 3.842 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Br)cc1 ZINC000823503308 599114637 /nfs/dbraw/zinc/11/46/37/599114637.db2.gz CVIBURFPYPOPJH-UKTHLTGXSA-N -1 3 381.233 3.842 20 30 GHEDHM CCCOc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OC ZINC000821128606 599112198 /nfs/dbraw/zinc/11/21/98/599112198.db2.gz XNDLUHFCFQCLPQ-LFIBNONCSA-N -1 3 390.443 3.877 20 30 GHEDHM CCCOc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OC ZINC000821128606 599112199 /nfs/dbraw/zinc/11/21/99/599112199.db2.gz XNDLUHFCFQCLPQ-LFIBNONCSA-N -1 3 390.443 3.877 20 30 GHEDHM CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OCC ZINC000821416648 599112540 /nfs/dbraw/zinc/11/25/40/599112540.db2.gz BQQUMLQCGJLSEQ-LFIBNONCSA-N -1 3 390.443 3.877 20 30 GHEDHM CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OCC ZINC000821416648 599112541 /nfs/dbraw/zinc/11/25/41/599112541.db2.gz BQQUMLQCGJLSEQ-LFIBNONCSA-N -1 3 390.443 3.877 20 30 GHEDHM O=C1C(=Cc2ccc(Br)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504461 599115287 /nfs/dbraw/zinc/11/52/87/599115287.db2.gz QJTGUIQPCDZBNG-NTMALXAHSA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2ccc(Br)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504461 599115290 /nfs/dbraw/zinc/11/52/90/599115290.db2.gz QJTGUIQPCDZBNG-NTMALXAHSA-N -1 3 387.262 3.903 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819758603 599145871 /nfs/dbraw/zinc/14/58/71/599145871.db2.gz AUNGEZYBONGLMW-UHFFFAOYSA-N -1 3 379.420 3.580 20 30 GHEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819758603 599145872 /nfs/dbraw/zinc/14/58/72/599145872.db2.gz AUNGEZYBONGLMW-UHFFFAOYSA-N -1 3 379.420 3.580 20 30 GHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736645186 599156589 /nfs/dbraw/zinc/15/65/89/599156589.db2.gz XLHIDOUZNBQWNZ-DAXSKMNVSA-N -1 3 384.823 3.824 20 30 GHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736645186 599156592 /nfs/dbraw/zinc/15/65/92/599156592.db2.gz XLHIDOUZNBQWNZ-DAXSKMNVSA-N -1 3 384.823 3.824 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203533 599157325 /nfs/dbraw/zinc/15/73/25/599157325.db2.gz VHELXMWKMLZLAU-UITAMQMPSA-N -1 3 392.369 3.535 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203535 599157554 /nfs/dbraw/zinc/15/75/54/599157554.db2.gz VHELXMWKMLZLAU-WEVVVXLNSA-N -1 3 392.369 3.535 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716696 599199124 /nfs/dbraw/zinc/19/91/24/599199124.db2.gz UHUDHLORSUOTCD-VQTJNVASSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716696 599199126 /nfs/dbraw/zinc/19/91/26/599199126.db2.gz UHUDHLORSUOTCD-VQTJNVASSA-N -1 3 380.411 3.634 20 30 GHEDHM CCC[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736414974 599200218 /nfs/dbraw/zinc/20/02/18/599200218.db2.gz CPRFSDLHXDENCY-AWEZNQCLSA-N -1 3 396.838 3.734 20 30 GHEDHM CCC[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736414974 599200219 /nfs/dbraw/zinc/20/02/19/599200219.db2.gz CPRFSDLHXDENCY-AWEZNQCLSA-N -1 3 396.838 3.734 20 30 GHEDHM O=C1c2cc(Br)sc2CCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475528 607842890 /nfs/dbraw/zinc/84/28/90/607842890.db2.gz ITKXFOZHVROTHB-ALCCZGGFSA-N -1 3 393.291 3.965 20 30 GHEDHM CC(N=Nc1nc(C(F)(F)F)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451171 598271208 /nfs/dbraw/zinc/27/12/08/598271208.db2.gz RCSBNJGRVCGASS-UHFFFAOYSA-N -1 3 398.352 3.665 20 30 GHEDHM CC(N=Nc1nc(C(F)(F)F)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451171 598271210 /nfs/dbraw/zinc/27/12/10/598271210.db2.gz RCSBNJGRVCGASS-UHFFFAOYSA-N -1 3 398.352 3.665 20 30 GHEDHM C#Cc1cccc(NC(=S)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000735391474 598323486 /nfs/dbraw/zinc/32/34/86/598323486.db2.gz TZMRABREOVKABV-UHFFFAOYSA-N -1 3 390.516 3.703 20 30 GHEDHM C#Cc1cccc(NC(=S)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000735391474 598323488 /nfs/dbraw/zinc/32/34/88/598323488.db2.gz TZMRABREOVKABV-UHFFFAOYSA-N -1 3 390.516 3.703 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000735418471 598412405 /nfs/dbraw/zinc/41/24/05/598412405.db2.gz FPJHHADUVPUOGJ-OAHLLOKOSA-N -1 3 392.463 3.794 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000735418471 598412407 /nfs/dbraw/zinc/41/24/07/598412407.db2.gz FPJHHADUVPUOGJ-OAHLLOKOSA-N -1 3 392.463 3.794 20 30 GHEDHM C=CCN(Cc1nc2cc(F)ccc2n1CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425478 598459989 /nfs/dbraw/zinc/45/99/89/598459989.db2.gz BCIXROHSYBBYON-UHFFFAOYSA-N -1 3 391.454 3.564 20 30 GHEDHM C=CCN(Cc1nc2cc(F)ccc2n1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425478 598459991 /nfs/dbraw/zinc/45/99/91/598459991.db2.gz BCIXROHSYBBYON-UHFFFAOYSA-N -1 3 391.454 3.564 20 30 GHEDHM Cc1nnc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c(C#N)c1C ZINC000737534694 598557006 /nfs/dbraw/zinc/55/70/06/598557006.db2.gz UMLUJCXYUCDVNX-UHFFFAOYSA-N -1 3 384.403 3.681 20 30 GHEDHM Cc1nnc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c(C#N)c1C ZINC000737534694 598557008 /nfs/dbraw/zinc/55/70/08/598557008.db2.gz UMLUJCXYUCDVNX-UHFFFAOYSA-N -1 3 384.403 3.681 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)ccc1F ZINC000737707936 598589304 /nfs/dbraw/zinc/58/93/04/598589304.db2.gz CAODNTBQVVEUOW-UHFFFAOYSA-N -1 3 384.374 3.797 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)ccc1F ZINC000737707936 598589305 /nfs/dbraw/zinc/58/93/05/598589305.db2.gz CAODNTBQVVEUOW-UHFFFAOYSA-N -1 3 384.374 3.797 20 30 GHEDHM COc1cccc2cc(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)oc21 ZINC000737143462 598639224 /nfs/dbraw/zinc/63/92/24/598639224.db2.gz RLAFEWDHISVYFJ-CMDGGOBGSA-N -1 3 389.415 3.574 20 30 GHEDHM COc1cccc2cc(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)oc21 ZINC000737143462 598639227 /nfs/dbraw/zinc/63/92/27/598639227.db2.gz RLAFEWDHISVYFJ-CMDGGOBGSA-N -1 3 389.415 3.574 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737712561 598821819 /nfs/dbraw/zinc/82/18/19/598821819.db2.gz RFSSBCONGKBTMG-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000737712561 598821820 /nfs/dbraw/zinc/82/18/20/598821820.db2.gz RFSSBCONGKBTMG-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCc1cccc2ccccc21 ZINC000737703683 599367803 /nfs/dbraw/zinc/36/78/03/599367803.db2.gz AMRLQEXCFWHAQE-UHFFFAOYSA-N -1 3 387.472 3.594 20 30 GHEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCc1cccc2ccccc21 ZINC000737703683 599367806 /nfs/dbraw/zinc/36/78/06/599367806.db2.gz AMRLQEXCFWHAQE-UHFFFAOYSA-N -1 3 387.472 3.594 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000819744094 599677650 /nfs/dbraw/zinc/67/76/50/599677650.db2.gz WDIVQDOMXLTNBV-YQVWRLOYSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000819744094 599677651 /nfs/dbraw/zinc/67/76/51/599677651.db2.gz WDIVQDOMXLTNBV-YQVWRLOYSA-N -1 3 380.496 3.533 20 30 GHEDHM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000739076047 600101153 /nfs/dbraw/zinc/10/11/53/600101153.db2.gz XTTICXJNIZVGNC-CQSZACIVSA-N -1 3 383.354 3.939 20 30 GHEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064258 601236934 /nfs/dbraw/zinc/23/69/34/601236934.db2.gz QJEBTOUORHGJET-WDMOLILDSA-N -1 3 396.415 3.540 20 30 GHEDHM CC(=NNc1ccc(F)cc1C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823958841 607569548 /nfs/dbraw/zinc/56/95/48/607569548.db2.gz YVBIMYVESDRGNV-UHFFFAOYSA-N -1 3 390.426 3.644 20 30 GHEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000824147285 607673149 /nfs/dbraw/zinc/67/31/49/607673149.db2.gz BKLFQQVZDMBVJO-INIZCTEOSA-N -1 3 392.467 3.590 20 30 GHEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000824147285 607673151 /nfs/dbraw/zinc/67/31/51/607673151.db2.gz BKLFQQVZDMBVJO-INIZCTEOSA-N -1 3 392.467 3.590 20 30 GHEDHM N#Cc1ccc(CC(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000822825304 606361674 /nfs/dbraw/zinc/36/16/74/606361674.db2.gz BCPLBGDKXDWBQX-UHFFFAOYSA-N -1 3 397.394 3.679 20 30 GHEDHM N#Cc1ccc(CC(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000822825304 606361675 /nfs/dbraw/zinc/36/16/75/606361675.db2.gz BCPLBGDKXDWBQX-UHFFFAOYSA-N -1 3 397.394 3.679 20 30 GHEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1Br ZINC000821770041 606388651 /nfs/dbraw/zinc/38/86/51/606388651.db2.gz NVHWINAIYSAVNK-HWKANZROSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2ncccc2C#N)cc1 ZINC000821702907 606430290 /nfs/dbraw/zinc/43/02/90/606430290.db2.gz GSIXOGRWKZSAQV-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2ncccc2C#N)cc1 ZINC000821702907 606430292 /nfs/dbraw/zinc/43/02/92/606430292.db2.gz GSIXOGRWKZSAQV-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C/c1cccc(F)c1 ZINC000819743315 606536641 /nfs/dbraw/zinc/53/66/41/606536641.db2.gz GORHZYPGYSJAMH-FNORWQNLSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C/c1cccc(F)c1 ZINC000819743315 606536643 /nfs/dbraw/zinc/53/66/43/606536643.db2.gz GORHZYPGYSJAMH-FNORWQNLSA-N -1 3 377.423 3.624 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)Nc1ccccc1C#N ZINC000820557274 606628067 /nfs/dbraw/zinc/62/80/67/606628067.db2.gz XTOBHWQMAHAJAB-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1C#N ZINC000820557274 606628068 /nfs/dbraw/zinc/62/80/68/606628068.db2.gz XTOBHWQMAHAJAB-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM O=C1c2sc3ccccc3c2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823504773 606837165 /nfs/dbraw/zinc/83/71/65/606837165.db2.gz UMEZMVZSPBPYDG-FMIVXFBMSA-N -1 3 398.451 3.942 20 30 GHEDHM O=C1c2sc3ccccc3c2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823504773 606837167 /nfs/dbraw/zinc/83/71/67/606837167.db2.gz UMEZMVZSPBPYDG-FMIVXFBMSA-N -1 3 398.451 3.942 20 30 GHEDHM C=CCC(CC=C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819733838 606951390 /nfs/dbraw/zinc/95/13/90/606951390.db2.gz CBEHWVOBIQRICJ-INIZCTEOSA-N -1 3 390.472 3.935 20 30 GHEDHM C=CCC(CC=C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819733838 606951392 /nfs/dbraw/zinc/95/13/92/606951392.db2.gz CBEHWVOBIQRICJ-INIZCTEOSA-N -1 3 390.472 3.935 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819693892 606953629 /nfs/dbraw/zinc/95/36/29/606953629.db2.gz YDSVCXPBCTVVRS-UHFFFAOYSA-N -1 3 394.410 3.723 20 30 GHEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819693892 606953630 /nfs/dbraw/zinc/95/36/30/606953630.db2.gz YDSVCXPBCTVVRS-UHFFFAOYSA-N -1 3 394.410 3.723 20 30 GHEDHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)(C)C#N ZINC000824723239 607806145 /nfs/dbraw/zinc/80/61/45/607806145.db2.gz NLHWKNJUIJWFDW-ZDUSSCGKSA-N -1 3 377.404 3.754 20 30 GHEDHM C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C#N ZINC000824723239 607806146 /nfs/dbraw/zinc/80/61/46/607806146.db2.gz NLHWKNJUIJWFDW-ZDUSSCGKSA-N -1 3 377.404 3.754 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826331954 607916903 /nfs/dbraw/zinc/91/69/03/607916903.db2.gz FJBARSPOMOJETH-PKNBQFBNSA-N -1 3 388.406 3.704 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826331954 607916904 /nfs/dbraw/zinc/91/69/04/607916904.db2.gz FJBARSPOMOJETH-PKNBQFBNSA-N -1 3 388.406 3.704 20 30 GHEDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(OCCCC#N)c1 ZINC000825351452 607974675 /nfs/dbraw/zinc/97/46/75/607974675.db2.gz FHTJSWCBTOVPRO-UHFFFAOYSA-N -1 3 387.447 3.976 20 30 GHEDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(OCCCC#N)c1 ZINC000825351452 607974676 /nfs/dbraw/zinc/97/46/76/607974676.db2.gz FHTJSWCBTOVPRO-UHFFFAOYSA-N -1 3 387.447 3.976 20 30 GHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475666 608015861 /nfs/dbraw/zinc/01/58/61/608015861.db2.gz MPFOYXDXNQKLMY-XGICHPGQSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475666 608015862 /nfs/dbraw/zinc/01/58/62/608015862.db2.gz MPFOYXDXNQKLMY-XGICHPGQSA-N -1 3 385.196 3.591 20 30 GHEDHM CCc1cnccc1C(C)=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825735666 608228858 /nfs/dbraw/zinc/22/88/58/608228858.db2.gz SHKHWCSWDLOCGA-UHFFFAOYSA-N -1 3 375.358 3.679 20 30 GHEDHM CCc1cnccc1C(C)=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825735666 608228860 /nfs/dbraw/zinc/22/88/60/608228860.db2.gz SHKHWCSWDLOCGA-UHFFFAOYSA-N -1 3 375.358 3.679 20 30 GHEDHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000824926703 608307511 /nfs/dbraw/zinc/30/75/11/608307511.db2.gz LGGDBXQUWUBPLR-MAUKXSAKSA-N -1 3 396.495 3.833 20 30 GHEDHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000824926703 608307513 /nfs/dbraw/zinc/30/75/13/608307513.db2.gz LGGDBXQUWUBPLR-MAUKXSAKSA-N -1 3 396.495 3.833 20 30 GHEDHM N#CC1(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCCCC1 ZINC000826379897 608328296 /nfs/dbraw/zinc/32/82/96/608328296.db2.gz GLNQSMARZIFWJK-UHFFFAOYSA-N -1 3 386.459 3.624 20 30 GHEDHM N#CC1(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCCCC1 ZINC000826379897 608328297 /nfs/dbraw/zinc/32/82/97/608328297.db2.gz GLNQSMARZIFWJK-UHFFFAOYSA-N -1 3 386.459 3.624 20 30 GHEDHM N#Cc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1F ZINC000826386618 608405726 /nfs/dbraw/zinc/40/57/26/608405726.db2.gz MDUOMTJQAPEBIN-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1F ZINC000826386618 608405728 /nfs/dbraw/zinc/40/57/28/608405728.db2.gz MDUOMTJQAPEBIN-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM C=CCN(Cc1c(C2CC2)nc2sccn12)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915327 608581862 /nfs/dbraw/zinc/58/18/62/608581862.db2.gz UYVPZKOVYLAKBI-UHFFFAOYSA-N -1 3 391.504 3.642 20 30 GHEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(-c2cccs2)n1 ZINC000826359347 608754689 /nfs/dbraw/zinc/75/46/89/608754689.db2.gz DGAMSXGCSVDEPI-JLHYYAGUSA-N -1 3 388.456 3.541 20 30 GHEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(-c2cccs2)n1 ZINC000826359347 608754690 /nfs/dbraw/zinc/75/46/90/608754690.db2.gz DGAMSXGCSVDEPI-JLHYYAGUSA-N -1 3 388.456 3.541 20 30 GHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826286322 609272173 /nfs/dbraw/zinc/27/21/73/609272173.db2.gz YTMHXMCFVILJCT-FNORWQNLSA-N -1 3 387.212 3.973 20 30 GHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000826286322 609272175 /nfs/dbraw/zinc/27/21/75/609272175.db2.gz YTMHXMCFVILJCT-FNORWQNLSA-N -1 3 387.212 3.973 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000823910134 609449809 /nfs/dbraw/zinc/44/98/09/609449809.db2.gz XWZLLJPXLOZEEB-KRWDZBQOSA-N -1 3 375.476 3.569 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000823910134 609449811 /nfs/dbraw/zinc/44/98/11/609449811.db2.gz XWZLLJPXLOZEEB-KRWDZBQOSA-N -1 3 375.476 3.569 20 30 GHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000683173148 834912287 /nfs/dbraw/zinc/91/22/87/834912287.db2.gz FFSRRSSWDFTBEV-QGZVFWFLSA-N -1 3 376.250 3.929 20 30 GHEDHM N#Cc1cccc(C2(NC(=O)c3cc4sccc4c([O-])c3)CCOCC2)c1 ZINC001167197063 836870902 /nfs/dbraw/zinc/87/09/02/836870902.db2.gz QGNHTJHMEUZBCI-UHFFFAOYSA-N -1 3 378.453 3.914 20 30 GHEDHM CO[C@H](C)C(=O)Nc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255913309 837305596 /nfs/dbraw/zinc/30/55/96/837305596.db2.gz MLLCEUAICLYJLC-LLVKDONJSA-N -1 3 377.238 3.879 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCCCC1 ZINC000314507442 838103136 /nfs/dbraw/zinc/10/31/36/838103136.db2.gz NANIWRRRWUDKNW-ZDUSSCGKSA-N -1 3 391.718 3.853 20 30 GHEDHM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000178317872 838321379 /nfs/dbraw/zinc/32/13/79/838321379.db2.gz AZUVFNAKMJYCJP-LLVKDONJSA-N -1 3 386.358 3.653 20 30 GHEDHM C=CCOC(=O)c1sc2[n-]c(Cc3csc(C(C)C)n3)nc(=O)c2c1C ZINC000050186588 839413752 /nfs/dbraw/zinc/41/37/52/839413752.db2.gz YJJIYKPQXWQZAG-UHFFFAOYSA-N -1 3 389.502 3.807 20 30 GHEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccs1 ZINC000120419450 842851348 /nfs/dbraw/zinc/85/13/48/842851348.db2.gz BXWHEDAVYWQWDQ-CQSZACIVSA-N -1 3 389.424 3.637 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1Br ZINC000432770818 843762353 /nfs/dbraw/zinc/76/23/53/843762353.db2.gz XWIWSXBHZOCZGV-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(Cl)oc2ccccc21 ZINC000600305291 861532433 /nfs/dbraw/zinc/53/24/33/861532433.db2.gz OHVUJNLCSFNAJF-UHFFFAOYSA-N -1 3 383.835 3.924 20 30 GHEDHM N#C[C@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCOC1 ZINC000866865577 845538864 /nfs/dbraw/zinc/53/88/64/845538864.db2.gz PNNWYSUIIHBKGB-HXUWFJFHSA-N -1 3 379.441 3.928 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000279981650 846253150 /nfs/dbraw/zinc/25/31/50/846253150.db2.gz JZHSZROENNXLCO-UHFFFAOYSA-N -1 3 386.883 3.562 20 30 GHEDHM O=C(Nc1ccc(Cl)cn1)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000731488268 861657023 /nfs/dbraw/zinc/65/70/23/861657023.db2.gz BXOHAKRVUIVGEH-UHFFFAOYSA-N -1 3 383.791 3.855 20 30 GHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2)c1 ZINC000503290240 847563010 /nfs/dbraw/zinc/56/30/10/847563010.db2.gz GLUFCRTWHKCXCF-UHFFFAOYSA-N -1 3 387.374 3.800 20 30 GHEDHM CC[C@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000162198606 848851818 /nfs/dbraw/zinc/85/18/18/848851818.db2.gz RFKXJXZEGSDDRQ-LJQANCHMSA-N -1 3 379.504 3.666 20 30 GHEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503961033 849802527 /nfs/dbraw/zinc/80/25/27/849802527.db2.gz FGXISANVSXXDEQ-UHFFFAOYSA-N -1 3 388.362 3.717 20 30 GHEDHM C[C@@H](C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)N(C)CC(F)(F)F ZINC000504335730 850029708 /nfs/dbraw/zinc/02/97/08/850029708.db2.gz HKMJMBKVLQYTCW-CPCISQLKSA-N -1 3 378.263 3.567 20 30 GHEDHM C[C@H](C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)N(C)CC(F)(F)F ZINC000504335732 850029915 /nfs/dbraw/zinc/02/99/15/850029915.db2.gz HKMJMBKVLQYTCW-RDDDGLTNSA-N -1 3 378.263 3.567 20 30 GHEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000514699411 850186422 /nfs/dbraw/zinc/18/64/22/850186422.db2.gz WNWPMMOYFIJDEN-HZMBPMFUSA-N -1 3 391.718 3.853 20 30 GHEDHM O=C([N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000509171327 862172879 /nfs/dbraw/zinc/17/28/79/862172879.db2.gz MFQMWLFFTWKWMA-LLVKDONJSA-N -1 3 392.702 3.693 20 30 GHEDHM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000425538924 851565873 /nfs/dbraw/zinc/56/58/73/851565873.db2.gz STPZHCYLPYBHOI-LBPRGKRZSA-N -1 3 376.382 3.993 20 30 GHEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OCCCC#N ZINC000426749028 852354076 /nfs/dbraw/zinc/35/40/76/852354076.db2.gz BZVKFUKKQJDWGK-IBGZPJMESA-N -1 3 388.851 3.947 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c([O-])c1 ZINC000436975416 852559566 /nfs/dbraw/zinc/55/95/66/852559566.db2.gz KMPYVXLYVPFTHF-UHFFFAOYSA-N -1 3 397.450 3.544 20 30 GHEDHM O=S(=O)(c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1)N1CCCCC1 ZINC000017309459 853111117 /nfs/dbraw/zinc/11/11/17/853111117.db2.gz NNCMMLXVGXMJDE-KGENOOAVSA-N -1 3 392.908 3.839 20 30 GHEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000490887689 853332915 /nfs/dbraw/zinc/33/29/15/853332915.db2.gz KRRHCUREXOBRAR-UHFFFAOYSA-N -1 3 379.366 3.506 20 30 GHEDHM C[C@H]1Cc2sc([N-]C(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@H](C)C1 ZINC000571170384 853779154 /nfs/dbraw/zinc/77/91/54/853779154.db2.gz VZUAAJJOTZUKQJ-VXGBXAGGSA-N -1 3 381.461 3.791 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC(C)(C)c2ccccc21 ZINC000129509799 854344254 /nfs/dbraw/zinc/34/42/54/854344254.db2.gz PAJOXCIVCSEXHI-UHFFFAOYSA-N -1 3 377.488 3.901 20 30 GHEDHM N#Cc1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cnc1C(F)(F)F ZINC000590171042 855322857 /nfs/dbraw/zinc/32/28/57/855322857.db2.gz YKHNTRNPQKVWJV-UHFFFAOYSA-N -1 3 389.362 3.667 20 30 GHEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509220318 856030957 /nfs/dbraw/zinc/03/09/57/856030957.db2.gz PERSFHXJZDQLQA-QMTHXVAHSA-N -1 3 391.718 3.853 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)s2)cc1 ZINC000131806497 856904044 /nfs/dbraw/zinc/90/40/44/856904044.db2.gz LKPXUPHLUQZAAV-INIZCTEOSA-N -1 3 377.425 3.780 20 30 GHEDHM COc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)c(Br)c1[O-] ZINC000761010889 857262092 /nfs/dbraw/zinc/26/20/92/857262092.db2.gz DWAUKHQGDBNJDA-UHFFFAOYSA-N -1 3 380.198 3.826 20 30 GHEDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)c(C#N)c3)ccc2O1 ZINC000442216383 857630055 /nfs/dbraw/zinc/63/00/55/857630055.db2.gz SCVZVFBJBLJHSW-SNVBAGLBSA-N -1 3 398.362 3.581 20 30 GHEDHM N#CC1(c2ccc(CN[C@@H](C(=O)[O-])c3ccc(Br)cc3)cc2)CC1 ZINC000594690249 858254760 /nfs/dbraw/zinc/25/47/60/858254760.db2.gz JELPEPZGOVCDGR-QGZVFWFLSA-N -1 3 385.261 3.920 20 30 GHEDHM Cc1nsc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1C#N ZINC000439304829 859034025 /nfs/dbraw/zinc/03/40/25/859034025.db2.gz OPMUTSPXXACKQD-UHFFFAOYSA-N -1 3 386.440 3.823 20 30 GHEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3scnc3C3CCCC3)n2)cc1 ZINC000185105640 859356349 /nfs/dbraw/zinc/35/63/49/859356349.db2.gz IKBKVNFUJLIOQM-UHFFFAOYSA-N -1 3 378.461 3.564 20 30 GHEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1Br ZINC000160971595 859446165 /nfs/dbraw/zinc/44/61/65/859446165.db2.gz PCSUBAUTZWGYTR-UHFFFAOYSA-N -1 3 395.278 3.715 20 30 GHEDHM CC[C@@H](CN(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000185141894 859537318 /nfs/dbraw/zinc/53/73/18/859537318.db2.gz WEZCHJJHNMNFOI-SFHVURJKSA-N -1 3 379.504 3.838 20 30 GHEDHM Cc1nc(-c2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)cs1 ZINC000015765881 859910863 /nfs/dbraw/zinc/91/08/63/859910863.db2.gz RNSIPVOCDIXEGG-UHFFFAOYSA-N -1 3 392.484 3.867 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000123357240 859935218 /nfs/dbraw/zinc/93/52/18/859935218.db2.gz LITWANWQACPFBA-OAQYLSRUSA-N -1 3 377.488 3.626 20 30 GHEDHM C=CCCC[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000765446571 859973300 /nfs/dbraw/zinc/97/33/00/859973300.db2.gz TYADNJPPEYVNBY-CYBMUJFWSA-N -1 3 380.441 3.856 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000185483746 860429308 /nfs/dbraw/zinc/42/93/08/860429308.db2.gz YAKVWBRZUZBAGU-GOSISDBHSA-N -1 3 391.515 3.813 20 30 GHEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)nn2c1 ZINC000598802324 860583261 /nfs/dbraw/zinc/58/32/61/860583261.db2.gz VMOSIPCBBKCZLH-GFCCVEGCSA-N -1 3 394.504 3.769 20 30 GHEDHM Cc1oc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1S(C)(=O)=O ZINC000599408650 861178349 /nfs/dbraw/zinc/17/83/49/861178349.db2.gz AGNYQQBILAPLAE-NSHDSACASA-N -1 3 378.475 3.638 20 30 GHEDHM CCO[C@@H](C)c1nc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000736767180 865275451 /nfs/dbraw/zinc/27/54/51/865275451.db2.gz XEQRXJCFRIKOLX-ZDUSSCGKSA-N -1 3 389.477 3.506 20 30 GHEDHM Cc1ccc(-n2cc(C(=O)[N-]c3n[nH]c(-c4ccccc4Cl)n3)nn2)cc1 ZINC000097334968 867152542 /nfs/dbraw/zinc/15/25/42/867152542.db2.gz XZKJIBMBOYWZMK-UHFFFAOYSA-N -1 3 379.811 3.651 20 30 GHEDHM C#CCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000742786675 867555791 /nfs/dbraw/zinc/55/57/91/867555791.db2.gz HTHFIMWXHUHWEL-UHFFFAOYSA-N -1 3 398.528 3.864 20 30 GHEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000553570136 867694154 /nfs/dbraw/zinc/69/41/54/867694154.db2.gz KFXUYZGRTFBBAM-UHFFFAOYSA-N -1 3 379.707 3.711 20 30 GHEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cc(-c2cccnc2)[nH]n1 ZINC000743429688 868179605 /nfs/dbraw/zinc/17/96/05/868179605.db2.gz XFRJCXPQZVKDRC-UHFFFAOYSA-N -1 3 393.501 3.526 20 30 GHEDHM Cc1ncc(CO)c(C=NN=c2[nH]c3cc(C(F)(F)F)ccc3s2)c1[O-] ZINC000743444494 868195541 /nfs/dbraw/zinc/19/55/41/868195541.db2.gz OHGUNRZIPBVSPJ-UHFFFAOYSA-N -1 3 382.367 3.662 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000743449182 868197321 /nfs/dbraw/zinc/19/73/21/868197321.db2.gz PLHOEKVZOJWAAW-UHFFFAOYSA-N -1 3 376.865 3.972 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2ccc(OCc3ccccn3)c(Cl)c2)c1[O-] ZINC000743538809 868273399 /nfs/dbraw/zinc/27/33/99/868273399.db2.gz OHMMRZDZJIVIBH-UHFFFAOYSA-N -1 3 383.835 3.966 20 30 GHEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000157073020 868546547 /nfs/dbraw/zinc/54/65/47/868546547.db2.gz KGGLEHSJOYNPAL-UHFFFAOYSA-N -1 3 391.474 3.585 20 30 GHEDHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(-c3cccc(C#N)c3)n2)c(F)c1F ZINC000462529529 869623127 /nfs/dbraw/zinc/62/31/27/869623127.db2.gz HBVFFIKELFVLPY-UHFFFAOYSA-N -1 3 384.317 3.616 20 30 GHEDHM CN(C(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(C)(C)C#N ZINC000746078318 869994063 /nfs/dbraw/zinc/99/40/63/869994063.db2.gz FXDFPHGOEYALCU-UHFFFAOYSA-N -1 3 386.835 3.630 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000443338182 871342931 /nfs/dbraw/zinc/34/29/31/871342931.db2.gz DZOIEQXEHSFTGY-PWSUYJOCSA-N -1 3 380.819 3.859 20 30 GHEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000443356802 871560298 /nfs/dbraw/zinc/56/02/98/871560298.db2.gz KAYRGWKGNJJKTR-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM Cc1coc([N-]C(=O)c2cncc(Br)c2Br)c1C#N ZINC001195281843 872301880 /nfs/dbraw/zinc/30/18/80/872301880.db2.gz CIUDTZWUGXWARS-UHFFFAOYSA-N -1 3 385.015 3.632 20 30 GHEDHM COC(=O)c1ccc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000130138531 872392080 /nfs/dbraw/zinc/39/20/80/872392080.db2.gz QIEYTAQYNJCQOZ-FPYGCLRLSA-N -1 3 391.217 3.846 20 30 GHEDHM N#Cc1ccccc1NC(=S)Nc1ccc([O-])c(I)c1 ZINC001196320520 873030472 /nfs/dbraw/zinc/03/04/72/873030472.db2.gz TVTUSMQEDAECFH-UHFFFAOYSA-N -1 3 395.225 3.677 20 30 GHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1ncc(-c2ccccc2)cn1 ZINC001197244023 873670617 /nfs/dbraw/zinc/67/06/17/873670617.db2.gz YXIYHEWSLLNTFU-UHFFFAOYSA-N -1 3 378.395 3.725 20 30 GHEDHM N#Cc1cnc2ccccc2c1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769195977 873876140 /nfs/dbraw/zinc/87/61/40/873876140.db2.gz RPALXMOUWUPBAN-UHFFFAOYSA-N -1 3 378.863 3.788 20 30 GHEDHM CC(C)(C)c1nnc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)cn21 ZINC000769282223 873942913 /nfs/dbraw/zinc/94/29/13/873942913.db2.gz NGEJLCKIXWXJDT-CYBMUJFWSA-N -1 3 395.850 3.641 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1C(F)(F)F ZINC001197646110 873944793 /nfs/dbraw/zinc/94/47/93/873944793.db2.gz PHHSEFVODRNNFK-UHFFFAOYSA-N -1 3 393.749 3.706 20 30 GHEDHM Cc1ccnc(S(=O)(=O)[N-]c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 ZINC001198008825 874160388 /nfs/dbraw/zinc/16/03/88/874160388.db2.gz CMDXSSFJIGYXQN-UHFFFAOYSA-N -1 3 388.264 3.766 20 30 GHEDHM Cn1ncc2c1nc(N=NCc1ccc(Oc3cc(F)cc(F)c3)cc1)[n-]c2=O ZINC000769816109 874305637 /nfs/dbraw/zinc/30/56/37/874305637.db2.gz BONRPRWCBHTDRF-UHFFFAOYSA-N -1 3 396.357 3.585 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CCCC2=O ZINC001198907139 874724017 /nfs/dbraw/zinc/72/40/17/874724017.db2.gz UGNDTDOCLNRPPP-UHFFFAOYSA-N -1 3 392.333 3.670 20 30 GHEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000771261263 875148479 /nfs/dbraw/zinc/14/84/79/875148479.db2.gz MJGPIQLERPAVOO-INIZCTEOSA-N -1 3 388.427 3.736 20 30 GHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1 ZINC001201835888 875897480 /nfs/dbraw/zinc/89/74/80/875897480.db2.gz JFKFKJGIUGHKFW-UHFFFAOYSA-N -1 3 375.556 3.973 20 30 GHEDHM CCOC(=O)[C@@H](CCOC(C)(C)C)/N=C\c1cc(Br)ccc1[O-] ZINC000776256079 876067068 /nfs/dbraw/zinc/06/70/68/876067068.db2.gz ALYVZVLPPIQTGN-AXLWCPOOSA-N -1 3 386.286 3.711 20 30 GHEDHM C[C@@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000776280487 876171817 /nfs/dbraw/zinc/17/18/17/876171817.db2.gz RFYGNJKBKUFWES-SNVBAGLBSA-N -1 3 393.226 3.605 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)ccc1C#N ZINC000443886889 876327703 /nfs/dbraw/zinc/32/77/03/876327703.db2.gz DYXGYXGNPDLRHI-HNNXBMFYSA-N -1 3 390.333 3.727 20 30 GHEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C(C)C ZINC000530133658 877180681 /nfs/dbraw/zinc/18/06/81/877180681.db2.gz HUVVMQRCYGRCMU-UHFFFAOYSA-N -1 3 392.452 3.647 20 30 GHEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3nc(C)cc3C)cc2)n1 ZINC000067896755 877599539 /nfs/dbraw/zinc/59/95/39/877599539.db2.gz LWXMVZJERZWBKV-INIZCTEOSA-N -1 3 394.456 3.612 20 30 GHEDHM CC(N=Nc1nnc(-c2ccccn2)s1)c1ccc(Br)cc1[O-] ZINC000788029490 877791009 /nfs/dbraw/zinc/79/10/09/877791009.db2.gz XKHVMQJVGXFROL-UHFFFAOYSA-N -1 3 390.266 3.904 20 30 GHEDHM N#C[C@]1(c2ccccn2)CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000852330258 878248642 /nfs/dbraw/zinc/24/86/42/878248642.db2.gz PIDNOUXUIAMQRO-JOCHJYFZSA-N -1 3 385.427 3.534 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000530717132 878375047 /nfs/dbraw/zinc/37/50/47/878375047.db2.gz VYTZPXZBMHEEBG-UHFFFAOYSA-N -1 3 378.413 3.804 20 30 GHEDHM COc1cc(/C=C2/COc3ccc(F)cc3C2=O)cc(Br)c1[O-] ZINC000109196114 878728158 /nfs/dbraw/zinc/72/81/58/878728158.db2.gz QZCQNYLFCWIWJG-WMZJFQQLSA-N -1 3 379.181 3.961 20 30 GHEDHM C=CCCCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000791057216 880183475 /nfs/dbraw/zinc/18/34/75/880183475.db2.gz SGDKZZAFBGMUKF-UHFFFAOYSA-N -1 3 393.336 3.624 20 30 GHEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccccc2Br)c1[O-] ZINC000772800856 881215322 /nfs/dbraw/zinc/21/53/22/881215322.db2.gz CKTLGTGCKBINOE-UKWGHVSLSA-N -1 3 377.282 3.747 20 30 GHEDHM CCCOc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)c(OC(F)F)c1 ZINC000760212210 883610506 /nfs/dbraw/zinc/61/05/06/883610506.db2.gz RTKODVXWSIPSAT-LSHDLFTRSA-N -1 3 380.391 3.597 20 30 GHEDHM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1Cl ZINC000609819062 883695261 /nfs/dbraw/zinc/69/52/61/883695261.db2.gz OXTBONARMRUWKT-FUHWJXTLSA-N -1 3 390.892 3.916 20 30 GHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000476316645 884413319 /nfs/dbraw/zinc/41/33/19/884413319.db2.gz YCLSYWKCMLHWBP-NEPJUHHUSA-N -1 3 380.819 3.859 20 30 GHEDHM COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2C)c(Br)c1[O-] ZINC000807991538 885913787 /nfs/dbraw/zinc/91/37/87/885913787.db2.gz ZOKWQJGEYSPBNY-UHFFFAOYSA-N -1 3 380.198 3.826 20 30 GHEDHM CCCCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000862360190 886317858 /nfs/dbraw/zinc/31/78/58/886317858.db2.gz DEESSMMIIGNYEH-UHFFFAOYSA-N -1 3 381.473 3.655 20 30 GHEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N(O)CCCCc2ccccc2)c(Cl)c1 ZINC001184305249 913117288 /nfs/dbraw/zinc/11/72/88/913117288.db2.gz BEXTZWKULBJESD-UHFFFAOYSA-N -1 3 396.896 3.566 20 30 GHEDHM CCOc1cc(C=NNCc2cc(F)ccc2F)cc(Br)c1[O-] ZINC000915979887 888594946 /nfs/dbraw/zinc/59/49/46/888594946.db2.gz NGQRQXBBCRXCNY-UHFFFAOYSA-N -1 3 385.208 3.955 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(COCCOc3ccccc3)c2)c1[O-] ZINC000915981724 888597177 /nfs/dbraw/zinc/59/71/77/888597177.db2.gz WGDQTOKYZUAWIP-UHFFFAOYSA-N -1 3 392.455 3.934 20 30 GHEDHM N#Cc1cccc(COc2cccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)c2)c1 ZINC000915988329 888609450 /nfs/dbraw/zinc/60/94/50/888609450.db2.gz URWWACLYDOXMIT-XKZIYDEJSA-N -1 3 380.403 3.948 20 30 GHEDHM C=CCC[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000810901990 889011439 /nfs/dbraw/zinc/01/14/39/889011439.db2.gz BFMQYPMAMGQFBI-RDJZCZTQSA-N -1 3 382.426 3.654 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000811184553 889271913 /nfs/dbraw/zinc/27/19/13/889271913.db2.gz QQWHSZOVJBJIBD-MRXNPFEDSA-N -1 3 391.210 3.533 20 30 GHEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000122797543 890081461 /nfs/dbraw/zinc/08/14/61/890081461.db2.gz LMGRVYUCFUKJCA-IQIBNGDESA-N -1 3 379.416 3.893 20 30 GHEDHM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000872339586 891241959 /nfs/dbraw/zinc/24/19/59/891241959.db2.gz QOCJTMPYGYRKAC-SFHVURJKSA-N -1 3 391.518 3.507 20 30 GHEDHM COc1ccccc1[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])N1CCCCC1 ZINC000917557219 892204706 /nfs/dbraw/zinc/20/47/06/892204706.db2.gz BAUYVKDLZAABPP-HBEGMLAUSA-N -1 3 383.448 3.955 20 30 GHEDHM COc1ccccc1[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])N1CCCCC1 ZINC000917557220 892205237 /nfs/dbraw/zinc/20/52/37/892205237.db2.gz BAUYVKDLZAABPP-MAGMUUGSSA-N -1 3 383.448 3.955 20 30 GHEDHM C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc3ccccc3c2[O-])C1=O ZINC000814775981 893165103 /nfs/dbraw/zinc/16/51/03/893165103.db2.gz FJSHOOFOHQKUDY-QHCPKHFHSA-N -1 3 387.439 3.823 20 30 GHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1sc(Cc2ccccc2)nc1C ZINC000814816714 893203150 /nfs/dbraw/zinc/20/31/50/893203150.db2.gz SBMXKFHVJAGDPV-UHFFFAOYSA-N -1 3 399.541 3.886 20 30 GHEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1 ZINC000460003998 894540401 /nfs/dbraw/zinc/54/04/01/894540401.db2.gz AORGXDWMZHJSTE-YWZLYKJASA-N -1 3 383.473 3.593 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000881161794 896211880 /nfs/dbraw/zinc/21/18/80/896211880.db2.gz BUJNNAFCXQOWEB-SECBINFHSA-N -1 3 385.243 3.718 20 30 GHEDHM C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000819397705 896623150 /nfs/dbraw/zinc/62/31/50/896623150.db2.gz DTOCUTWQZQQTNH-UHFFFAOYSA-N -1 3 386.901 4.000 20 30 GHEDHM C=CCCc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)CC)cc2)cc1 ZINC000882737440 896943570 /nfs/dbraw/zinc/94/35/70/896943570.db2.gz LKFVFSXICQSCAY-UHFFFAOYSA-N -1 3 393.530 3.541 20 30 GHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c2ccccn21 ZINC000824359303 899553862 /nfs/dbraw/zinc/55/38/62/899553862.db2.gz UWAZIVOVPUYGOQ-HJWRWDBZSA-N -1 3 376.395 3.673 20 30 GHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccn21 ZINC000824359303 899553868 /nfs/dbraw/zinc/55/38/68/899553868.db2.gz UWAZIVOVPUYGOQ-HJWRWDBZSA-N -1 3 376.395 3.673 20 30 GHEDHM CCN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376783 900133645 /nfs/dbraw/zinc/13/36/45/900133645.db2.gz NOMBLPQXYVQBLG-UHFFFAOYSA-N -1 3 398.879 3.537 20 30 GHEDHM CCN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376783 900133652 /nfs/dbraw/zinc/13/36/52/900133652.db2.gz NOMBLPQXYVQBLG-UHFFFAOYSA-N -1 3 398.879 3.537 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C2CCCCC2)[nH]n1 ZINC000136629660 900734012 /nfs/dbraw/zinc/73/40/12/900734012.db2.gz MQNYZPOQOFCJEP-OAHLLOKOSA-N -1 3 380.448 3.817 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1cc(Cl)cc2c1OCC2 ZINC000845845235 902414047 /nfs/dbraw/zinc/41/40/47/902414047.db2.gz MXAYKNXRGCRGHM-SFHVURJKSA-N -1 3 379.843 3.827 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174584746 907101804 /nfs/dbraw/zinc/10/18/04/907101804.db2.gz NCSBNAMXPMFOMC-UHFFFAOYSA-N -1 3 398.728 3.681 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000184207733 907536367 /nfs/dbraw/zinc/53/63/67/907536367.db2.gz GLXLVAOQBOYGOU-UHFFFAOYSA-N -1 3 389.858 3.640 20 30 GHEDHM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000901605627 921393041 /nfs/dbraw/zinc/39/30/41/921393041.db2.gz XHZMCSVBJWAAPE-IBGZPJMESA-N -1 3 386.473 3.501 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)nc1C ZINC000193377618 908312605 /nfs/dbraw/zinc/31/26/05/908312605.db2.gz XEYITEDJFWXPEF-CYBMUJFWSA-N -1 3 391.349 3.769 20 30 GHEDHM COc1ccc(N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(C)C)cc1F ZINC000299644559 921541799 /nfs/dbraw/zinc/54/17/99/921541799.db2.gz VXISEZDTJZXHPQ-UHFFFAOYSA-N -1 3 385.439 3.798 20 30 GHEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c(F)c1 ZINC000773981150 911194843 /nfs/dbraw/zinc/19/48/43/911194843.db2.gz XFDDVHUMISFIJP-KRWDZBQOSA-N -1 3 390.370 3.727 20 30 GHEDHM Cc1nc(COc2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)no1 ZINC000647373663 915190654 /nfs/dbraw/zinc/19/06/54/915190654.db2.gz MILXPXMXPNQVDH-OAHLLOKOSA-N -1 3 380.429 3.781 20 30 GHEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000796381670 915334218 /nfs/dbraw/zinc/33/42/18/915334218.db2.gz NCMWZJVTCOZFIQ-UHFFFAOYSA-N -1 3 383.444 3.725 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)Cc2cccc(Br)c2)cc1F ZINC001188677401 916103656 /nfs/dbraw/zinc/10/36/56/916103656.db2.gz ULQBPLWNGOQIAC-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2ccc(F)c(F)c2)nc1 ZINC001189319083 916549407 /nfs/dbraw/zinc/54/94/07/916549407.db2.gz LKBPYCDBWRJMEY-UHFFFAOYSA-N -1 3 385.395 3.840 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc(C(F)(F)F)c1 ZINC001189826641 916950003 /nfs/dbraw/zinc/95/00/03/916950003.db2.gz CVHLMPRJPLGPKO-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000363052731 917688191 /nfs/dbraw/zinc/68/81/91/917688191.db2.gz DNZZCYIVIBOCSN-HNAYVOBHSA-N -1 3 377.488 3.861 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000113140772 919358152 /nfs/dbraw/zinc/35/81/52/919358152.db2.gz LMDLATYOZMAFNF-OAHLLOKOSA-N -1 3 394.475 3.875 20 30 GHEDHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cnc21 ZINC000119758831 919652911 /nfs/dbraw/zinc/65/29/11/919652911.db2.gz HOTKYUAKSDKAGU-HNNXBMFYSA-N -1 3 387.365 3.991 20 30 GHEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000297767269 919747886 /nfs/dbraw/zinc/74/78/86/919747886.db2.gz PPEXWNHIXGVGPT-UHFFFAOYSA-N -1 3 381.314 3.689 20 30 GHEDHM Cc1ccc(CN2C[C@H](C(=O)N([O-])Cc3cccc4ccccc43)CC2=O)cc1 ZINC000901367787 921042681 /nfs/dbraw/zinc/04/26/81/921042681.db2.gz LNVNLTRPHPJDTI-OAQYLSRUSA-N -1 3 388.467 3.915 20 30 GHEDHM Cc1ccc(CN2C[C@@H](C(=O)N([O-])Cc3cccc4ccccc43)CC2=O)cc1 ZINC000901367785 921042879 /nfs/dbraw/zinc/04/28/79/921042879.db2.gz LNVNLTRPHPJDTI-NRFANRHFSA-N -1 3 388.467 3.915 20 30 GHEDHM CCN(CC)C(=O)N1CCC(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000901369527 921045637 /nfs/dbraw/zinc/04/56/37/921045637.db2.gz DMTXXTVDIPQYPR-UHFFFAOYSA-N -1 3 383.492 3.731 20 30 GHEDHM CN1C(=O)C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901373435 921049125 /nfs/dbraw/zinc/04/91/25/921049125.db2.gz ZUZBZBRKDIORLP-KDOFPFPSSA-N -1 3 394.805 3.556 20 30 GHEDHM O=C(c1cn(Cc2cccc(F)c2)nn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379121 921056667 /nfs/dbraw/zinc/05/66/67/921056667.db2.gz WFRPJDFTAJXNRN-UHFFFAOYSA-N -1 3 395.221 3.804 20 30 GHEDHM COc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc2c1OCCO2 ZINC000901379823 921057472 /nfs/dbraw/zinc/05/74/72/921057472.db2.gz GBPCAXWEUHGTLM-UHFFFAOYSA-N -1 3 384.215 3.805 20 30 GHEDHM Cc1ccc(S(C)(=O)=O)cc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379619 921057540 /nfs/dbraw/zinc/05/75/40/921057540.db2.gz LTWJLFKACLCLGO-UHFFFAOYSA-N -1 3 388.272 3.737 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000371566484 924678968 /nfs/dbraw/zinc/67/89/68/924678968.db2.gz XQIAZLLPMQUZOA-IBGZPJMESA-N -1 3 392.484 3.571 20 30 GHEDHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410338298 925552154 /nfs/dbraw/zinc/55/21/54/925552154.db2.gz NXCJFRXOTQLDMB-UHFFFAOYSA-N -1 3 383.395 3.752 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000410384071 925591421 /nfs/dbraw/zinc/59/14/21/925591421.db2.gz UGRVBXVSKRRDNG-QKVFXAPYSA-N -1 3 383.879 3.913 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2ccc(Cl)c(F)c21 ZINC000411098019 926077378 /nfs/dbraw/zinc/07/73/78/926077378.db2.gz UWCLRFZJULKBTF-UHFFFAOYSA-N -1 3 387.842 3.980 20 30 GHEDHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C#N ZINC000751548064 928242165 /nfs/dbraw/zinc/24/21/65/928242165.db2.gz JOUUTCSWJUMQOH-UHFFFAOYSA-N -1 3 387.461 3.853 20 30 GHEDHM COc1ccc(C(=O)Nc2ccc(C([O-])=C(C#N)c3ccccn3)s2)cc1 ZINC000467091944 928689765 /nfs/dbraw/zinc/68/97/65/928689765.db2.gz MXIVPPJAGKGPHX-HNNXBMFYSA-N -1 3 377.425 3.894 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccc(Cl)cc3)n2)c1 ZINC000757409207 929708105 /nfs/dbraw/zinc/70/81/05/929708105.db2.gz LEHOYDZPYYILLH-QGZVFWFLSA-N -1 3 378.819 3.795 20 30 GHEDHM N#CC(=C([O-])c1ccccc1SCc1cn2ccccc2n1)c1ccncn1 ZINC000546859583 930493740 /nfs/dbraw/zinc/49/37/40/930493740.db2.gz MCPHKJOPWVCAGG-QGZVFWFLSA-N -1 3 385.452 3.907 20 30 GHEDHM C=CCCCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000782914429 931365147 /nfs/dbraw/zinc/36/51/47/931365147.db2.gz VDOQDWGPFOBBQT-UHFFFAOYSA-N -1 3 380.441 3.858 20 30 GHEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000557859893 931727380 /nfs/dbraw/zinc/72/73/80/931727380.db2.gz GELYVDXZSAGZSJ-UHFFFAOYSA-N -1 3 379.707 3.711 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCOc2c(F)cccc21 ZINC000797094922 932181548 /nfs/dbraw/zinc/18/15/48/932181548.db2.gz KNTHXSFECXTAHJ-SFHVURJKSA-N -1 3 384.407 3.805 20 30 GHEDHM C[C@@H]1C(=O)Nc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2N1C ZINC000797568901 932330343 /nfs/dbraw/zinc/33/03/43/932330343.db2.gz XQSQILZDIUSVOS-DGCLKSJQSA-N -1 3 382.489 3.707 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000797815056 932414376 /nfs/dbraw/zinc/41/43/76/932414376.db2.gz JLPSVRUIRKKFCJ-UHFFFAOYSA-N -1 3 382.681 3.885 20 30 GHEDHM O=c1cc(C(F)(F)F)nc(CNc2ccc(OCC(F)(F)F)c(F)c2)[n-]1 ZINC000799968977 933194358 /nfs/dbraw/zinc/19/43/58/933194358.db2.gz ICDVOHNOCWTCHT-UHFFFAOYSA-N -1 3 385.239 3.893 20 30 GHEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(F)(F)CC1 ZINC001121624882 934718812 /nfs/dbraw/zinc/71/88/12/934718812.db2.gz YTKWEIRZFCSPNB-UHFFFAOYSA-N -1 3 382.842 3.844 20 30 GHEDHM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3nccn3C)c12 ZINC001122608541 934918548 /nfs/dbraw/zinc/91/85/48/934918548.db2.gz CRZMSXFAYMQQOL-OAHLLOKOSA-N -1 3 376.464 3.596 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573293992 946975604 /nfs/dbraw/zinc/97/56/04/946975604.db2.gz QQZZUIUJPOAHAT-OAHLLOKOSA-N -1 3 377.448 3.639 20 30 GHEDHM C=C(C)COc1cccc(NC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573293992 946975612 /nfs/dbraw/zinc/97/56/12/946975612.db2.gz QQZZUIUJPOAHAT-OAHLLOKOSA-N -1 3 377.448 3.639 20 30 GHEDHM C=C1CCC(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC1 ZINC001573296384 947046555 /nfs/dbraw/zinc/04/65/55/947046555.db2.gz OQSJMBRIBLJQDG-UHFFFAOYSA-N -1 3 376.420 3.739 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001573330119 947429712 /nfs/dbraw/zinc/42/97/12/947429712.db2.gz UPWYYDMRLXCMFY-QFBILLFUSA-N -1 3 383.496 3.667 20 30 GHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001573330119 947429720 /nfs/dbraw/zinc/42/97/20/947429720.db2.gz UPWYYDMRLXCMFY-QFBILLFUSA-N -1 3 383.496 3.667 20 30 GHEDHM C=CC[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)C1 ZINC001573330375 947432879 /nfs/dbraw/zinc/43/28/79/947432879.db2.gz WTDHPKLYMUYJGF-CQSZACIVSA-N -1 3 394.504 3.703 20 30 GHEDHM C=CCCC[C@@H](C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001573334794 947465329 /nfs/dbraw/zinc/46/53/29/947465329.db2.gz IIUJXJFUUGMPCJ-LEWJYISDSA-N -1 3 387.487 3.590 20 30 GHEDHM C=CCCC[C@@H](C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001573334794 947465336 /nfs/dbraw/zinc/46/53/36/947465336.db2.gz IIUJXJFUUGMPCJ-LEWJYISDSA-N -1 3 387.487 3.590 20 30 GHEDHM C=CCc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC001573348324 947582009 /nfs/dbraw/zinc/58/20/09/947582009.db2.gz PPDGTTGPAHBXPO-CYBMUJFWSA-N -1 3 394.431 3.530 20 30 GHEDHM C=CCc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC001573348324 947582022 /nfs/dbraw/zinc/58/20/22/947582022.db2.gz PPDGTTGPAHBXPO-CYBMUJFWSA-N -1 3 394.431 3.530 20 30 GHEDHM C=CCSc1ccccc1C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001573348711 947586464 /nfs/dbraw/zinc/58/64/64/947586464.db2.gz SNKUBOYYWMVRLE-UHFFFAOYSA-N -1 3 385.424 3.545 20 30 GHEDHM C=CCSc1ccccc1C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001573348711 947586469 /nfs/dbraw/zinc/58/64/69/947586469.db2.gz SNKUBOYYWMVRLE-UHFFFAOYSA-N -1 3 385.424 3.545 20 30 GHEDHM CC(C)(C)c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001573881252 950750614 /nfs/dbraw/zinc/75/06/14/950750614.db2.gz BJGRFTYLFIKVBW-OAHLLOKOSA-N -1 3 392.438 3.624 20 30 GHEDHM CC(C)(C)c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001573881252 950750627 /nfs/dbraw/zinc/75/06/27/950750627.db2.gz BJGRFTYLFIKVBW-OAHLLOKOSA-N -1 3 392.438 3.624 20 30 GHEDHM [O-]N=C(Nc1ccnc(N2CCCCC2)n1)c1ccc(OC(F)(F)F)cc1 ZINC001155913989 1032791091 /nfs/dbraw/zinc/79/10/91/1032791091.db2.gz FKJSJBZYNXIANS-UHFFFAOYSA-N -1 3 381.358 3.613 20 30 GHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(OCc3ccccc3)ccn2)c1 ZINC000779197318 1020502798 /nfs/dbraw/zinc/50/27/98/1020502798.db2.gz QGMVRVHCAKTITI-FQEVSTJZSA-N -1 3 385.423 3.930 20 30 GHEDHM C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cccc([O-])c1Br)C2 ZINC001140550331 1021951655 /nfs/dbraw/zinc/95/16/55/1021951655.db2.gz QQYZIHCNIKEXMK-MJGOQNOKSA-N -1 3 396.325 3.728 20 30 GHEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001228958988 1033200412 /nfs/dbraw/zinc/20/04/12/1033200412.db2.gz PWSFRDTWHKSWHX-LIRRHRJNSA-N -1 3 388.464 3.856 20 30 GHEDHM CCOC(=O)Cc1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1C ZINC001163764842 1026307969 /nfs/dbraw/zinc/30/79/69/1026307969.db2.gz BDSKGBHCYWUSQU-UHFFFAOYSA-N -1 3 397.353 3.642 20 30 GHEDHM COC(=O)c1c(C)c(OC)ccc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765240 1026308161 /nfs/dbraw/zinc/30/81/61/1026308161.db2.gz AMZCIMTYJRQUSM-UHFFFAOYSA-N -1 3 398.337 3.937 20 30 GHEDHM O=c1[nH][n-]cc1CCCNc1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC001164381967 1026502790 /nfs/dbraw/zinc/50/27/90/1026502790.db2.gz IWKBAZJBFRSYMY-QGZVFWFLSA-N -1 3 396.288 3.773 20 30 GHEDHM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001164586990 1026559362 /nfs/dbraw/zinc/55/93/62/1026559362.db2.gz HVDMIABOLDEZMQ-UHFFFAOYSA-N -1 3 399.410 3.680 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1c([O-])cccc1Br)CCO2 ZINC001140100994 1026880035 /nfs/dbraw/zinc/88/00/35/1026880035.db2.gz IGIMBVNPDVJETQ-DNVCBOLYSA-N -1 3 396.325 3.728 20 30 GHEDHM CC(C)(C)O[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000840709096 1027749744 /nfs/dbraw/zinc/74/97/44/1027749744.db2.gz HMMRENWXDNYHLE-VCJGITMJSA-N -1 3 392.297 3.967 20 30 GHEDHM N#CC1(c2cccc([N-]S(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)c2)CC1 ZINC001213325598 1028111885 /nfs/dbraw/zinc/11/18/85/1028111885.db2.gz XZJNWIZEMZMRON-UHFFFAOYSA-N -1 3 382.272 3.932 20 30 GHEDHM C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142649847 1029205827 /nfs/dbraw/zinc/20/58/27/1029205827.db2.gz LZVNUVMIFSBXMT-QUCCMNQESA-N -1 3 379.884 3.612 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1cc2cccc(F)c2[nH]1 ZINC001150763596 1030647376 /nfs/dbraw/zinc/64/73/76/1030647376.db2.gz DKTKSNYJRXECAJ-UHFFFAOYSA-N -1 3 381.285 3.771 20 30 GHEDHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001151364500 1030878933 /nfs/dbraw/zinc/87/89/33/1030878933.db2.gz JLHUZIILJKEUPU-UHFFFAOYSA-N -1 3 376.416 3.793 20 30 GHEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001461838983 1069782529 /nfs/dbraw/zinc/78/25/29/1069782529.db2.gz RODWNTRQTSLGOK-GOSISDBHSA-N -1 3 386.293 3.537 20 30 GHEDHM N#C[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)CC1 ZINC001157055556 1033390258 /nfs/dbraw/zinc/39/02/58/1033390258.db2.gz YRZTUVRGLWIPFG-MQMHXKEQSA-N -1 3 392.431 3.655 20 30 GHEDHM C=Cc1cc([O-])cc2nc(-c3ccc(O[C@@H]4CCN(CC#N)C4)c(F)c3)oc21 ZINC001229711963 1033657218 /nfs/dbraw/zinc/65/72/18/1033657218.db2.gz ZIBGHZUSHSNVPB-MRXNPFEDSA-N -1 3 379.391 3.959 20 30 GHEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001230414413 1034041907 /nfs/dbraw/zinc/04/19/07/1034041907.db2.gz GMHOCNLSOIHSIE-GFCCVEGCSA-N -1 3 388.265 3.929 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3ccc(F)c([O-])c3F)C2)CC1 ZINC001232931337 1038713404 /nfs/dbraw/zinc/71/34/04/1038713404.db2.gz MPXNVRWTYQNMBP-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM CCOC[C@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001233384875 1039211417 /nfs/dbraw/zinc/21/14/17/1039211417.db2.gz LUKCECUEXBOBLF-OAQYLSRUSA-N -1 3 394.519 3.786 20 30 GHEDHM N#Cc1ccccc1CN1CC[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233505794 1039396218 /nfs/dbraw/zinc/39/62/18/1039396218.db2.gz GUDBHIPTITVJFD-AWEZNQCLSA-N -1 3 397.822 3.649 20 30 GHEDHM COc1c(O[C@@H]2CC[C@@H](C#N)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234126484 1039868150 /nfs/dbraw/zinc/86/81/50/1039868150.db2.gz ICIUORUUNWHCBD-CHWSQXEVSA-N -1 3 377.396 3.556 20 30 GHEDHM N#C[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1cccc(F)c1 ZINC001234753084 1040281996 /nfs/dbraw/zinc/28/19/96/1040281996.db2.gz LSQHHNUZJFNLOT-IBGZPJMESA-N -1 3 393.326 3.846 20 30 GHEDHM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nc(-c2ccncc2)no1 ZINC001292546979 1043782315 /nfs/dbraw/zinc/78/23/15/1043782315.db2.gz WYYLFJRKZYKWDU-INIZCTEOSA-N -1 3 397.385 3.609 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)c(F)c1Cl ZINC001257863373 1044227821 /nfs/dbraw/zinc/22/78/21/1044227821.db2.gz MUWVAOCSEQCBPN-UHFFFAOYSA-N -1 3 389.633 3.914 20 30 GHEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001293874820 1044356035 /nfs/dbraw/zinc/35/60/35/1044356035.db2.gz LOAMGWHKBGIRMX-BBATYDOGSA-N -1 3 393.365 3.629 20 30 GHEDHM O=S(=O)([N-]Cc1cc(F)cc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC001259502053 1045206227 /nfs/dbraw/zinc/20/62/27/1045206227.db2.gz DRTOHCRNEUGTRB-UHFFFAOYSA-N -1 3 387.276 3.740 20 30 GHEDHM C=C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1 ZINC001260913120 1045766116 /nfs/dbraw/zinc/76/61/16/1045766116.db2.gz QRUHEIYRANJAPP-CQSZACIVSA-N -1 3 388.233 3.933 20 30 GHEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1coc(C=CC(=O)OC(C)(C)C)c1 ZINC001263616407 1046999589 /nfs/dbraw/zinc/99/95/89/1046999589.db2.gz WAMHQRHNQNQYOK-GFUIURDCSA-N -1 3 375.812 3.511 20 30 GHEDHM O=C([C@@H]1CCCN1c1ncnc2sccc21)N([O-])Cc1ccccc1Cl ZINC001306893908 1048948924 /nfs/dbraw/zinc/94/89/24/1048948924.db2.gz BXVOIYDKQXCHLD-HNNXBMFYSA-N -1 3 388.880 3.732 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001306896886 1048949661 /nfs/dbraw/zinc/94/96/61/1048949661.db2.gz PZCDWBJJHDDHRT-QGZVFWFLSA-N -1 3 393.553 3.736 20 30 GHEDHM CCCCCCCCc1nnc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)s1 ZINC001310042451 1051117208 /nfs/dbraw/zinc/11/72/08/1051117208.db2.gz FLUAPJALIFMNDD-UHFFFAOYSA-N -1 3 396.542 3.547 20 30 GHEDHM COc1cc(Br)c(OC)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001334859057 1051991751 /nfs/dbraw/zinc/99/17/51/1051991751.db2.gz VLHVIORVTIMFKR-UHFFFAOYSA-N -1 3 384.201 3.637 20 30 GHEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000848137901 1056742794 /nfs/dbraw/zinc/74/27/94/1056742794.db2.gz HKNBSFKMAJIFSW-RDJZCZTQSA-N -1 3 390.892 3.670 20 30 GHEDHM Cc1oc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)cc1S(C)(=O)=O ZINC001355194983 1057076896 /nfs/dbraw/zinc/07/68/96/1057076896.db2.gz PRXSVVQEDLFYAN-UHFFFAOYSA-N -1 3 392.502 3.836 20 30 GHEDHM CCOc1cccc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)c1OC(F)F ZINC001446063881 1059686947 /nfs/dbraw/zinc/68/69/47/1059686947.db2.gz ZOVYPGMPPSDRIM-UHFFFAOYSA-N -1 3 396.340 3.967 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001340267847 1059804478 /nfs/dbraw/zinc/80/44/78/1059804478.db2.gz IWKINCGZXRJRQM-GJZGRUSLSA-N -1 3 397.504 3.594 20 30 GHEDHM C=C(C)Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(C#N)CC1 ZINC001341693053 1060815591 /nfs/dbraw/zinc/81/55/91/1060815591.db2.gz HXINFHTVKSIJRJ-UHFFFAOYSA-N -1 3 385.899 3.738 20 30 GHEDHM CCCCCCN([O-])C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N ZINC001458008880 1063503447 /nfs/dbraw/zinc/50/34/47/1063503447.db2.gz BTGHQAPJVGPGAO-LFDOHDQPSA-N -1 3 379.501 3.571 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001200276958 1065791916 /nfs/dbraw/zinc/79/19/16/1065791916.db2.gz PJORNHJYSQIHCQ-UWVGGRQHSA-N -1 3 398.414 3.958 20 30 GHEDHM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3coc4c3C(=O)NCCC4)sc2C1 ZINC001460472657 1068973343 /nfs/dbraw/zinc/97/33/43/1068973343.db2.gz MZLVZDRJRSVLNJ-LBPRGKRZSA-N -1 3 397.500 3.902 20 30 GHEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC001475562043 1074915168 /nfs/dbraw/zinc/91/51/68/1074915168.db2.gz UBPRVUYHQKQTTO-UHFFFAOYSA-N -1 3 381.519 3.959 20 30 GHEDHM CCCCCCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736448304 598839768 /nfs/dbraw/zinc/83/97/68/598839768.db2.gz WOSITQBGNPSUPH-UHFFFAOYSA-N -1 3 381.484 3.968 20 30 GHEDHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737181772 598917084 /nfs/dbraw/zinc/91/70/84/598917084.db2.gz LMDLPSLBWZCYFG-UHFFFAOYSA-N -1 3 390.428 3.600 20 30 GHEDHM CSCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737181772 598917085 /nfs/dbraw/zinc/91/70/85/598917085.db2.gz LMDLPSLBWZCYFG-UHFFFAOYSA-N -1 3 390.428 3.600 20 30 GHEDHM N#Cc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737715675 598917839 /nfs/dbraw/zinc/91/78/39/598917839.db2.gz DKEGCAQBCYZLOF-UHFFFAOYSA-N -1 3 384.852 3.513 20 30 GHEDHM N#Cc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737715675 598917841 /nfs/dbraw/zinc/91/78/41/598917841.db2.gz DKEGCAQBCYZLOF-UHFFFAOYSA-N -1 3 384.852 3.513 20 30 GHEDHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737215108 598925126 /nfs/dbraw/zinc/92/51/26/598925126.db2.gz WZOFUVWVBMCWQV-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737215108 598925128 /nfs/dbraw/zinc/92/51/28/598925128.db2.gz WZOFUVWVBMCWQV-UHFFFAOYSA-N -1 3 378.392 3.653 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1-c1nnn[n-]1 ZINC000737710214 598926708 /nfs/dbraw/zinc/92/67/08/598926708.db2.gz VMMXHWZTPBVXQX-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1-c1nn[n-]n1 ZINC000737710214 598926709 /nfs/dbraw/zinc/92/67/09/598926709.db2.gz VMMXHWZTPBVXQX-UHFFFAOYSA-N -1 3 396.410 3.570 20 30 GHEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000735558341 598929013 /nfs/dbraw/zinc/92/90/13/598929013.db2.gz AFQCLLSBRKVAKW-SECBINFHSA-N -1 3 387.230 3.787 20 30 GHEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000735558341 598929014 /nfs/dbraw/zinc/92/90/14/598929014.db2.gz AFQCLLSBRKVAKW-SECBINFHSA-N -1 3 387.230 3.787 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1Br ZINC000823504637 599114848 /nfs/dbraw/zinc/11/48/48/599114848.db2.gz SJEIXDMUIXSZEH-JLHYYAGUSA-N -1 3 381.233 3.842 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1Br ZINC000823504637 599114846 /nfs/dbraw/zinc/11/48/46/599114846.db2.gz SJEIXDMUIXSZEH-JLHYYAGUSA-N -1 3 381.233 3.842 20 30 GHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000735402216 599154117 /nfs/dbraw/zinc/15/41/17/599154117.db2.gz MOGPEBJIKOYSDS-YCRREMRBSA-N -1 3 396.834 3.903 20 30 GHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000735402216 599154119 /nfs/dbraw/zinc/15/41/19/599154119.db2.gz MOGPEBJIKOYSDS-YCRREMRBSA-N -1 3 396.834 3.903 20 30 GHEDHM COc1ccc(C=CC(=O)c2c[nH]c3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000737080945 599155527 /nfs/dbraw/zinc/15/55/27/599155527.db2.gz JLTHQCZKZLDLOL-KXFIGUGUSA-N -1 3 379.807 3.906 20 30 GHEDHM COc1ccc(C=CC(=O)c2c[nH]c3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000737080945 599155529 /nfs/dbraw/zinc/15/55/29/599155529.db2.gz JLTHQCZKZLDLOL-KXFIGUGUSA-N -1 3 379.807 3.906 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202543 599157837 /nfs/dbraw/zinc/15/78/37/599157837.db2.gz NLCWLQYSMYXOFE-OQFOIZHKSA-N -1 3 392.369 3.535 20 30 GHEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735505260 599198889 /nfs/dbraw/zinc/19/88/89/599198889.db2.gz PUFHMOQFBHVRTB-LBPRGKRZSA-N -1 3 396.838 3.544 20 30 GHEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735505260 599198892 /nfs/dbraw/zinc/19/88/92/599198892.db2.gz PUFHMOQFBHVRTB-LBPRGKRZSA-N -1 3 396.838 3.544 20 30 GHEDHM CC(C)(C)C=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735595576 599218270 /nfs/dbraw/zinc/21/82/70/599218270.db2.gz GSWPMIBAJNIRDI-QIAWRQBBSA-N -1 3 378.461 3.769 20 30 GHEDHM CC(C)(C)C=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735595576 599218272 /nfs/dbraw/zinc/21/82/72/599218272.db2.gz GSWPMIBAJNIRDI-QIAWRQBBSA-N -1 3 378.461 3.769 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2csc(C3CC3)n2)ccc1-c1nnn[n-]1 ZINC000737631599 598314639 /nfs/dbraw/zinc/31/46/39/598314639.db2.gz GXCVEVNFIGPCFB-UHFFFAOYSA-N -1 3 379.371 3.665 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2csc(C3CC3)n2)ccc1-c1nn[n-]n1 ZINC000737631599 598314641 /nfs/dbraw/zinc/31/46/41/598314641.db2.gz GXCVEVNFIGPCFB-UHFFFAOYSA-N -1 3 379.371 3.665 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1ccccc1F ZINC000735418106 598364841 /nfs/dbraw/zinc/36/48/41/598364841.db2.gz ALFGSDDRTAMMTO-HNNXBMFYSA-N -1 3 379.439 3.714 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1ccccc1F ZINC000735418106 598364843 /nfs/dbraw/zinc/36/48/43/598364843.db2.gz ALFGSDDRTAMMTO-HNNXBMFYSA-N -1 3 379.439 3.714 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(Br)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202348 598377114 /nfs/dbraw/zinc/37/71/14/598377114.db2.gz LNYVHALVURNANM-FPLPWBNLSA-N -1 3 398.264 3.581 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(Br)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202348 598377116 /nfs/dbraw/zinc/37/71/16/598377116.db2.gz LNYVHALVURNANM-FPLPWBNLSA-N -1 3 398.264 3.581 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000735420814 598392184 /nfs/dbraw/zinc/39/21/84/598392184.db2.gz UKABHCXRWLKFFZ-HXUWFJFHSA-N -1 3 388.475 3.560 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000735420814 598392186 /nfs/dbraw/zinc/39/21/86/598392186.db2.gz UKABHCXRWLKFFZ-HXUWFJFHSA-N -1 3 388.475 3.560 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1cccc(Cl)c1 ZINC000737201961 598584933 /nfs/dbraw/zinc/58/49/33/598584933.db2.gz IALXYNFJENBKNW-YFHOEESVSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cccc(Cl)c1 ZINC000737201961 598584934 /nfs/dbraw/zinc/58/49/34/598584934.db2.gz IALXYNFJENBKNW-YFHOEESVSA-N -1 3 390.834 3.910 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000737675785 598591556 /nfs/dbraw/zinc/59/15/56/598591556.db2.gz SDKZYYHIINKYHY-IOBAAEILSA-N -1 3 399.241 3.568 20 30 GHEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000737675785 598591558 /nfs/dbraw/zinc/59/15/58/598591558.db2.gz SDKZYYHIINKYHY-IOBAAEILSA-N -1 3 399.241 3.568 20 30 GHEDHM N#Cc1ccc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)nc1 ZINC000737721571 598602547 /nfs/dbraw/zinc/60/25/47/598602547.db2.gz LIXMZCROTWKJGG-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM N#Cc1ccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)nc1 ZINC000737721571 598602549 /nfs/dbraw/zinc/60/25/49/598602549.db2.gz LIXMZCROTWKJGG-UHFFFAOYSA-N -1 3 387.378 3.595 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@@H]1CCC ZINC000735420708 598633223 /nfs/dbraw/zinc/63/32/23/598633223.db2.gz QRYTYMOSWVITJP-HKUYNNGSSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@@H]1CCC ZINC000735420708 598633225 /nfs/dbraw/zinc/63/32/25/598633225.db2.gz QRYTYMOSWVITJP-HKUYNNGSSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000735420711 598633889 /nfs/dbraw/zinc/63/38/89/598633889.db2.gz QRYTYMOSWVITJP-PKOBYXMFSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000735420711 598633891 /nfs/dbraw/zinc/63/38/91/598633891.db2.gz QRYTYMOSWVITJP-PKOBYXMFSA-N -1 3 382.512 3.923 20 30 GHEDHM Cc1c(C(=O)C=Cc2c[nH]nc2-c2cccc(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737381556 598640783 /nfs/dbraw/zinc/64/07/83/598640783.db2.gz ZRWSHFBTXXSAFR-CMDGGOBGSA-N -1 3 399.458 3.517 20 30 GHEDHM Cc1c(C(=O)C=Cc2c[nH]nc2-c2cccc(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737381556 598640785 /nfs/dbraw/zinc/64/07/85/598640785.db2.gz ZRWSHFBTXXSAFR-CMDGGOBGSA-N -1 3 399.458 3.517 20 30 GHEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2C)nc1 ZINC000735390242 598735553 /nfs/dbraw/zinc/73/55/53/598735553.db2.gz UWGKQAICAICUFS-UHFFFAOYSA-N -1 3 396.410 3.596 20 30 GHEDHM C=CCC[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819733853 607404431 /nfs/dbraw/zinc/40/44/31/607404431.db2.gz CPWHGNAAJMPZJM-IBGZPJMESA-N -1 3 393.516 3.924 20 30 GHEDHM C=CCC[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733853 607404432 /nfs/dbraw/zinc/40/44/32/607404432.db2.gz CPWHGNAAJMPZJM-IBGZPJMESA-N -1 3 393.516 3.924 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832877757 601206257 /nfs/dbraw/zinc/20/62/57/601206257.db2.gz XTIOPDGUTQAXNM-GCJKJVERSA-N -1 3 393.487 3.602 20 30 GHEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819866235 606102263 /nfs/dbraw/zinc/10/22/63/606102263.db2.gz LCLMBTHPRSDXJC-VIFPVBQESA-N -1 3 387.230 3.787 20 30 GHEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000819866235 606102266 /nfs/dbraw/zinc/10/22/66/606102266.db2.gz LCLMBTHPRSDXJC-VIFPVBQESA-N -1 3 387.230 3.787 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1coc2cc(F)ccc12 ZINC000819743214 606263312 /nfs/dbraw/zinc/26/33/12/606263312.db2.gz FVDLBSFOGNGSLU-UHFFFAOYSA-N -1 3 391.406 3.509 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1coc2cc(F)ccc12 ZINC000819743214 606263314 /nfs/dbraw/zinc/26/33/14/606263314.db2.gz FVDLBSFOGNGSLU-UHFFFAOYSA-N -1 3 391.406 3.509 20 30 GHEDHM CN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1(C#N)CCC1 ZINC000821574507 606316603 /nfs/dbraw/zinc/31/66/03/606316603.db2.gz JNFUSEOEQWWMPS-UHFFFAOYSA-N -1 3 390.472 3.536 20 30 GHEDHM CN(C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1(C#N)CCC1 ZINC000821574507 606316604 /nfs/dbraw/zinc/31/66/04/606316604.db2.gz JNFUSEOEQWWMPS-UHFFFAOYSA-N -1 3 390.472 3.536 20 30 GHEDHM N#Cc1ccc(F)c(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1 ZINC000822829889 606449235 /nfs/dbraw/zinc/44/92/35/606449235.db2.gz NXJOCPJHLKRLMU-UHFFFAOYSA-N -1 3 387.378 3.677 20 30 GHEDHM CSc1cc(Br)ccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000821978360 606702414 /nfs/dbraw/zinc/70/24/14/606702414.db2.gz LWRPTVCPJCBOGF-UHFFFAOYSA-N -1 3 389.282 3.797 20 30 GHEDHM CSc1cc(Br)ccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000821978360 606702416 /nfs/dbraw/zinc/70/24/16/606702416.db2.gz LWRPTVCPJCBOGF-UHFFFAOYSA-N -1 3 389.282 3.797 20 30 GHEDHM N#Cc1ccc(-c2ccc(OC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000822823258 606851239 /nfs/dbraw/zinc/85/12/39/606851239.db2.gz NKYKYSFSEXEGGR-OAQYLSRUSA-N -1 3 383.411 3.518 20 30 GHEDHM N#Cc1ccc(-c2ccc(OC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000822823258 606851240 /nfs/dbraw/zinc/85/12/40/606851240.db2.gz NKYKYSFSEXEGGR-OAQYLSRUSA-N -1 3 383.411 3.518 20 30 GHEDHM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccoc1C ZINC000819765370 607005975 /nfs/dbraw/zinc/00/59/75/607005975.db2.gz PCWYORPIMPBFBS-UHFFFAOYSA-N -1 3 397.439 3.644 20 30 GHEDHM C=CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1ccoc1C ZINC000819765370 607005976 /nfs/dbraw/zinc/00/59/76/607005976.db2.gz PCWYORPIMPBFBS-UHFFFAOYSA-N -1 3 397.439 3.644 20 30 GHEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000821105155 607201463 /nfs/dbraw/zinc/20/14/63/607201463.db2.gz WOMZIVLVKLSUOF-UHFFFAOYSA-N -1 3 395.854 3.836 20 30 GHEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000821105155 607201464 /nfs/dbraw/zinc/20/14/64/607201464.db2.gz WOMZIVLVKLSUOF-UHFFFAOYSA-N -1 3 395.854 3.836 20 30 GHEDHM C=CCCC(=O)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823887961 608056860 /nfs/dbraw/zinc/05/68/60/608056860.db2.gz BTVDEJVDEHZQON-UHFFFAOYSA-N -1 3 394.456 3.710 20 30 GHEDHM C=CCCC(=O)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823887961 608056861 /nfs/dbraw/zinc/05/68/61/608056861.db2.gz BTVDEJVDEHZQON-UHFFFAOYSA-N -1 3 394.456 3.710 20 30 GHEDHM C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824755857 608206983 /nfs/dbraw/zinc/20/69/83/608206983.db2.gz MHMWFPOHQGFTKJ-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824755857 608206984 /nfs/dbraw/zinc/20/69/84/608206984.db2.gz MHMWFPOHQGFTKJ-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM Fc1c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000826370288 608388884 /nfs/dbraw/zinc/38/88/84/608388884.db2.gz LWCPJQJCUDZYAE-NXEZZACHSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000826370288 608388887 /nfs/dbraw/zinc/38/88/87/608388887.db2.gz LWCPJQJCUDZYAE-NXEZZACHSA-N -1 3 397.298 3.569 20 30 GHEDHM COc1ccc2oc(C(C)N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c(C)c2c1 ZINC000826214038 608539101 /nfs/dbraw/zinc/53/91/01/608539101.db2.gz XNMUSVGYHDNMCR-UHFFFAOYSA-N -1 3 397.826 3.814 20 30 GHEDHM COc1ccc2oc(C(C)N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c(C)c2c1 ZINC000826214038 608539102 /nfs/dbraw/zinc/53/91/02/608539102.db2.gz XNMUSVGYHDNMCR-UHFFFAOYSA-N -1 3 397.826 3.814 20 30 GHEDHM C=CCN(Cc1cn(-c2ccccc2)nc1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915565 608633195 /nfs/dbraw/zinc/63/31/95/608633195.db2.gz ZXKMBSFNDJDGQL-UHFFFAOYSA-N -1 3 385.475 3.549 20 30 GHEDHM CC(=NNc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963171 609159737 /nfs/dbraw/zinc/15/97/37/609159737.db2.gz XIEOLIHSDMLFLK-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963171 609159739 /nfs/dbraw/zinc/15/97/39/609159739.db2.gz XIEOLIHSDMLFLK-UHFFFAOYSA-N -1 3 375.205 3.604 20 30 GHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000823958096 609472426 /nfs/dbraw/zinc/47/24/26/609472426.db2.gz BRPWOYBIFHCSFF-UHFFFAOYSA-N -1 3 378.770 3.958 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000823958096 609472428 /nfs/dbraw/zinc/47/24/28/609472428.db2.gz BRPWOYBIFHCSFF-UHFFFAOYSA-N -1 3 378.770 3.958 20 30 GHEDHM N#CC(=C([O-])c1ccc2[nH]c(=O)n(C3CC3)c2c1)c1cc(C(F)(F)F)ccn1 ZINC000659115006 837599149 /nfs/dbraw/zinc/59/91/49/837599149.db2.gz MAHOYMCKOJFUND-ZDUSSCGKSA-N -1 3 386.333 3.981 20 30 GHEDHM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000659115226 837608707 /nfs/dbraw/zinc/60/87/07/837608707.db2.gz SPUYQJSHIUQGSM-ZDUSSCGKSA-N -1 3 386.333 3.981 20 30 GHEDHM CC[C@@](C)(C#N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000579819411 835057845 /nfs/dbraw/zinc/05/78/45/835057845.db2.gz GANSGJQCKVCTNV-HNNXBMFYSA-N -1 3 381.661 3.793 20 30 GHEDHM C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000583893190 835206146 /nfs/dbraw/zinc/20/61/46/835206146.db2.gz MCJZESMJKAEKJY-CQSZACIVSA-N -1 3 395.418 3.600 20 30 GHEDHM N#Cc1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1[O-] ZINC000188303209 835683435 /nfs/dbraw/zinc/68/34/35/835683435.db2.gz CXMZYJNFLBIJEO-UHFFFAOYSA-N -1 3 383.879 3.559 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC2CCCCCC2)CCCC1 ZINC000329740688 835838190 /nfs/dbraw/zinc/83/81/90/835838190.db2.gz ODCBYQNCNIMHTF-UHFFFAOYSA-N -1 3 383.514 3.562 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1c(F)cccc1Cl ZINC000177655370 836961140 /nfs/dbraw/zinc/96/11/40/836961140.db2.gz HTBRIGFMHBAQJU-LBPRGKRZSA-N -1 3 376.815 3.893 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2ccc(Cl)cc2n1 ZINC000255150168 838589499 /nfs/dbraw/zinc/58/94/99/838589499.db2.gz XQORQTXDQNJYCD-HLRDLLSLSA-N -1 3 376.803 3.644 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(F)c(Cl)c1 ZINC000050058976 839097950 /nfs/dbraw/zinc/09/79/50/839097950.db2.gz ZREMAOHVPJLNNJ-GFCCVEGCSA-N -1 3 376.815 3.893 20 30 GHEDHM Cc1cc(C)cc(-c2cc(=NC(=O)CSCc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000512550890 844503500 /nfs/dbraw/zinc/50/35/00/844503500.db2.gz NYWCURQAXZZOCT-UHFFFAOYSA-N -1 3 376.485 3.859 20 30 GHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCCC#N)c([N+](=O)[O-])c2)c(C)c1 ZINC000544123242 841360041 /nfs/dbraw/zinc/36/00/41/841360041.db2.gz LMNDILQPDBHFQD-UHFFFAOYSA-N -1 3 388.449 3.728 20 30 GHEDHM CCCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429577197 843792167 /nfs/dbraw/zinc/79/21/67/843792167.db2.gz DZDOHQPOCNMBKM-KRWDZBQOSA-N -1 3 389.459 3.629 20 30 GHEDHM C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3ccc(Cl)cc3C(=O)[O-])C2)C1 ZINC001142643468 861547433 /nfs/dbraw/zinc/54/74/33/861547433.db2.gz WIQQJSDLVOKWGH-FQEVSTJZSA-N -1 3 392.883 3.649 20 30 GHEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000435120267 850125355 /nfs/dbraw/zinc/12/53/55/850125355.db2.gz ITCBMZCORAYYDS-MRXNPFEDSA-N -1 3 376.434 3.589 20 30 GHEDHM C=CCCC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC000908748308 850319892 /nfs/dbraw/zinc/31/98/92/850319892.db2.gz DANBYJPANQTFLO-DLBZAZTESA-N -1 3 393.553 3.630 20 30 GHEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000435606301 850695428 /nfs/dbraw/zinc/69/54/28/850695428.db2.gz KXQMPYJDZLPHLR-IINYFYTJSA-N -1 3 383.819 3.618 20 30 GHEDHM N#Cc1cccc(OCc2ccoc2C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000435679311 850744961 /nfs/dbraw/zinc/74/49/61/850744961.db2.gz YBKYFQPWXVZJRI-UHFFFAOYSA-N -1 3 384.395 3.795 20 30 GHEDHM C[C@@H]([N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1noc(C(F)(F)F)n1 ZINC000910751980 851365727 /nfs/dbraw/zinc/36/57/27/851365727.db2.gz DWVUPHCPOWUSSN-HZGVNTEJSA-N -1 3 385.239 3.995 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000894475999 851432779 /nfs/dbraw/zinc/43/27/79/851432779.db2.gz SEJPLXAKVBZUSD-UHFFFAOYSA-N -1 3 392.286 3.874 20 30 GHEDHM COc1cnc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)nc1 ZINC000555958091 862298299 /nfs/dbraw/zinc/29/82/99/862298299.db2.gz DQFJJDMGMPWZPC-UHFFFAOYSA-N -1 3 382.367 3.762 20 30 GHEDHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])nn1-c1cccc(C#N)c1 ZINC000436532956 852024138 /nfs/dbraw/zinc/02/41/38/852024138.db2.gz YUQXSDICLODDEQ-UHFFFAOYSA-N -1 3 397.232 3.773 20 30 GHEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c([O-])c1 ZINC000436967412 852537394 /nfs/dbraw/zinc/53/73/94/852537394.db2.gz YOKGFVMNFUEWMB-HNNXBMFYSA-N -1 3 397.500 3.711 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c([O-])c1 ZINC000436971912 852554525 /nfs/dbraw/zinc/55/45/25/852554525.db2.gz MEYGDRYVBTWZSV-NRFANRHFSA-N -1 3 393.487 3.594 20 30 GHEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000126613065 853682479 /nfs/dbraw/zinc/68/24/79/853682479.db2.gz RSAIIQXIJZWKTJ-CQSZACIVSA-N -1 3 392.431 3.914 20 30 GHEDHM CC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC(F)(F)CC1 ZINC000588125534 854121514 /nfs/dbraw/zinc/12/15/14/854121514.db2.gz DXARPRKFLQVSHD-UHFFFAOYSA-N -1 3 393.253 3.567 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000055868276 854199396 /nfs/dbraw/zinc/19/93/96/854199396.db2.gz IGNLQDVMFCYZQC-QGZVFWFLSA-N -1 3 391.393 3.606 20 30 GHEDHM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000129637144 854286590 /nfs/dbraw/zinc/28/65/90/854286590.db2.gz CDJLQXOYBVQVAS-AWEZNQCLSA-N -1 3 393.226 3.972 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3)n2)cc1 ZINC000131698643 855801429 /nfs/dbraw/zinc/80/14/29/855801429.db2.gz GODXITJWUQXQFQ-MRXNPFEDSA-N -1 3 377.425 3.780 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000109398897 856294595 /nfs/dbraw/zinc/29/45/95/856294595.db2.gz JRSWESSDRZBSRE-FQEVSTJZSA-N -1 3 377.488 3.725 20 30 GHEDHM C=CCOc1c(Br)cc(C=Cc2nccc(=O)[n-]2)cc1OCC ZINC000131753050 856533196 /nfs/dbraw/zinc/53/31/96/856533196.db2.gz IZDYEVZMKUJANE-AATRIKPKSA-N -1 3 377.238 3.666 20 30 GHEDHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000593193468 857383597 /nfs/dbraw/zinc/38/35/97/857383597.db2.gz DDHWUXZAVDATHM-UHFFFAOYSA-N -1 3 388.489 3.622 20 30 GHEDHM C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543029968 857940937 /nfs/dbraw/zinc/94/09/37/857940937.db2.gz HHWVYFAHXASIKZ-MRXNPFEDSA-N -1 3 399.450 3.538 20 30 GHEDHM CSc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2ccccn12 ZINC000442615330 857982736 /nfs/dbraw/zinc/98/27/36/857982736.db2.gz BAXRAWGDJRAQDT-NSHDSACASA-N -1 3 376.363 3.960 20 30 GHEDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000594691631 858256530 /nfs/dbraw/zinc/25/65/30/858256530.db2.gz WMXYIAWEBUYVID-SFHVURJKSA-N -1 3 380.444 3.565 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=Cc1nc2ccccc2s1 ZINC000129840300 858372241 /nfs/dbraw/zinc/37/22/41/858372241.db2.gz ZRYWFEYDJSSOCG-OCHBPSSRSA-N -1 3 377.425 3.666 20 30 GHEDHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428269785 858437201 /nfs/dbraw/zinc/43/72/01/858437201.db2.gz LEFPLCWSXNSUHG-AWEZNQCLSA-N -1 3 398.513 3.733 20 30 GHEDHM CSc1ccc([O-])c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000597462413 859571516 /nfs/dbraw/zinc/57/15/16/859571516.db2.gz LUJQSPCCSVCRBV-UHFFFAOYSA-N -1 3 383.473 3.501 20 30 GHEDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)ccc1C#N ZINC000318425534 859823445 /nfs/dbraw/zinc/82/34/45/859823445.db2.gz OXGUMXIFKKTEKS-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000598040764 860019055 /nfs/dbraw/zinc/01/90/55/860019055.db2.gz RMQUMASSJFKWLX-FQEVSTJZSA-N -1 3 379.460 3.945 20 30 GHEDHM COc1cc(C=NNc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000727261496 860019283 /nfs/dbraw/zinc/01/92/83/860019283.db2.gz BLMIBJIVPITAKH-UHFFFAOYSA-N -1 3 385.298 3.696 20 30 GHEDHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000765586714 860250450 /nfs/dbraw/zinc/25/04/50/860250450.db2.gz KGFFQFFCIAGPOY-HNNXBMFYSA-N -1 3 391.399 3.504 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC000598400991 860284725 /nfs/dbraw/zinc/28/47/25/860284725.db2.gz OAOXCKMGABVHJJ-KRWDZBQOSA-N -1 3 387.386 3.633 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000593563124 860379760 /nfs/dbraw/zinc/37/97/60/860379760.db2.gz RIYMFKOKODZAQW-NSHDSACASA-N -1 3 380.466 3.587 20 30 GHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(I)c2)n1 ZINC000102816526 860867958 /nfs/dbraw/zinc/86/79/58/860867958.db2.gz FUAVGEDTYPSIBH-LLVKDONJSA-N -1 3 382.226 3.855 20 30 GHEDHM O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)cc2n[n-]nc21 ZINC000669695264 861075996 /nfs/dbraw/zinc/07/59/96/861075996.db2.gz PDJMFAVXURISNH-QMSLJYSESA-N -1 3 398.282 3.736 20 30 GHEDHM N#CCCSc1ccc(C(F)(F)F)cc1[N-]C(=O)c1cn(C2CC2)nn1 ZINC000599389947 861154134 /nfs/dbraw/zinc/15/41/34/861154134.db2.gz CEPXXTVMSVOZFF-UHFFFAOYSA-N -1 3 381.383 3.890 20 30 GHEDHM C#CC(C)(C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000733978792 863897674 /nfs/dbraw/zinc/89/76/74/863897674.db2.gz WMCFQVOYVZUKHP-UHFFFAOYSA-N -1 3 398.528 3.863 20 30 GHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000120881055 881747218 /nfs/dbraw/zinc/74/72/18/881747218.db2.gz RQKBIUVHPBMPIM-UHFFFAOYSA-N -1 3 393.387 3.754 20 30 GHEDHM Cc1ncc(CO)c(/C=N/CCCc2ccc(Br)cc2F)c1[O-] ZINC000734752457 864418903 /nfs/dbraw/zinc/41/89/03/864418903.db2.gz DLEGHPIAWYCWCK-AWQFTUOYSA-N -1 3 381.245 3.541 20 30 GHEDHM CCOC(=O)[C@H](Cc1ccccc1)/N=C/c1cc(Br)ccc1[O-] ZINC000920173363 881882369 /nfs/dbraw/zinc/88/23/69/881882369.db2.gz CSOARCXWLRPZPN-DORSJAEJSA-N -1 3 376.250 3.748 20 30 GHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc(N2CCOCC2)cc1 ZINC000920173708 881883281 /nfs/dbraw/zinc/88/32/81/881883281.db2.gz GBPJQUXWDIPFFX-DEDYPNTBSA-N -1 3 375.266 3.610 20 30 GHEDHM Cc1nc(C)c(CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(=O)[n-]1 ZINC000739599892 865756986 /nfs/dbraw/zinc/75/69/86/865756986.db2.gz PWVJYOQTQHSZQM-UHFFFAOYSA-N -1 3 392.484 3.648 20 30 GHEDHM COc1cc(/C=C\C(=O)c2cnn(C3CCC3)c2)cc(Br)c1[O-] ZINC000899407297 865973397 /nfs/dbraw/zinc/97/33/97/865973397.db2.gz RQNWJTQUSVSQKN-WAYWQWQTSA-N -1 3 377.238 3.981 20 30 GHEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000479158254 867256187 /nfs/dbraw/zinc/25/61/87/867256187.db2.gz PCAUFTKVSBKQAA-QMTHXVAHSA-N -1 3 391.718 3.853 20 30 GHEDHM Cc1ccc(-c2nc(C=N[N-]S(=O)(=O)CCc3ccccc3)cs2)cc1 ZINC000743448677 868197521 /nfs/dbraw/zinc/19/75/21/868197521.db2.gz ABDQHLYUWMQWEU-UHFFFAOYSA-N -1 3 385.514 3.615 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(Oc3ccccc3)ccn2)c1 ZINC000745947608 869899694 /nfs/dbraw/zinc/89/96/94/869899694.db2.gz GTGLNUUTEBYPKL-IBGZPJMESA-N -1 3 387.395 3.844 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000609107933 870239973 /nfs/dbraw/zinc/23/99/73/870239973.db2.gz CODALDDVYCKXPH-INIZCTEOSA-N -1 3 386.249 3.634 20 30 GHEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCCC1 ZINC001192644087 870588075 /nfs/dbraw/zinc/58/80/75/870588075.db2.gz NUANCLGJVNLHQM-UHFFFAOYSA-N -1 3 391.718 3.855 20 30 GHEDHM CCN1CCN(c2ccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2)CC1 ZINC000920942585 882464125 /nfs/dbraw/zinc/46/41/25/882464125.db2.gz GXJMHQRLSUULBX-UHFFFAOYSA-N -1 3 388.855 3.846 20 30 GHEDHM CCC(CSc1ccccc1[N+](=O)[O-])=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000766697620 871486622 /nfs/dbraw/zinc/48/66/22/871486622.db2.gz LDBCFDDRIVFBOS-UHFFFAOYSA-N -1 3 393.490 3.573 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(C(F)(F)F)o2)c(C)c1[O-] ZINC001194414650 871684862 /nfs/dbraw/zinc/68/48/62/871684862.db2.gz TYOKLJWILBTRTN-UHFFFAOYSA-N -1 3 382.294 3.613 20 30 GHEDHM N#CC(=C([O-])c1cnn(Cc2ccccc2Cl)c1)c1nc2ccccc2[nH]1 ZINC000041495321 871737581 /nfs/dbraw/zinc/73/75/81/871737581.db2.gz RWZXKYWHYSFZPF-HNNXBMFYSA-N -1 3 375.819 3.951 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618717274 871892701 /nfs/dbraw/zinc/89/27/01/871892701.db2.gz XJMMGRBNFJVYCS-AWEZNQCLSA-N -1 3 397.319 3.657 20 30 GHEDHM CCCCCOC(=O)Oc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001195195242 872249228 /nfs/dbraw/zinc/24/92/28/872249228.db2.gz LHBPPWZNTFNBPO-UHFFFAOYSA-N -1 3 385.420 3.831 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(OCc3ccccc3F)cc2)c1[O-] ZINC000767339563 872411969 /nfs/dbraw/zinc/41/19/69/872411969.db2.gz UQRMLUIXGLYRBQ-MSXFZWOLSA-N -1 3 380.419 3.925 20 30 GHEDHM Cc1ccccc1[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000767656736 872740101 /nfs/dbraw/zinc/74/01/01/872740101.db2.gz ISYAJFGBXNZABC-OAHLLOKOSA-N -1 3 386.370 3.978 20 30 GHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC001196679592 873280371 /nfs/dbraw/zinc/28/03/71/873280371.db2.gz CVAOHZQREKZGKT-UHFFFAOYSA-N -1 3 389.908 3.998 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CSc3ccc(Br)cc32)c1[O-] ZINC000775740026 873318728 /nfs/dbraw/zinc/31/87/28/873318728.db2.gz JQPUDNXDMGKDLY-AUENHOEFSA-N -1 3 379.279 3.616 20 30 GHEDHM C=CC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000448562723 873575351 /nfs/dbraw/zinc/57/53/51/873575351.db2.gz LNMVEZGQVCYAJY-UHFFFAOYSA-N -1 3 388.489 3.955 20 30 GHEDHM Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c1F ZINC001197318480 873705835 /nfs/dbraw/zinc/70/58/35/873705835.db2.gz CJZJBRQGXHKSEZ-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 ZINC001197320130 873706754 /nfs/dbraw/zinc/70/67/54/873706754.db2.gz NBJCNWWIRKACEG-UHFFFAOYSA-N -1 3 394.294 3.578 20 30 GHEDHM CC(=[NH+][N-]c1ccnc(Br)c1)c1ccc(N2CCCC2)cc1[O-] ZINC000769805632 874299224 /nfs/dbraw/zinc/29/92/24/874299224.db2.gz ZASQRYAUCQZBCW-UHFFFAOYSA-N -1 3 375.270 3.986 20 30 GHEDHM CCOc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1OCC ZINC000769810193 874300791 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GHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786034930 876422983 /nfs/dbraw/zinc/42/29/83/876422983.db2.gz YDBXQEZFSBCTSM-LBPRGKRZSA-N -1 3 383.429 3.808 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc2c(c1)CC(C)(C)O2 ZINC000851457690 877718728 /nfs/dbraw/zinc/71/87/28/877718728.db2.gz UQZGUXFYHLZKOV-UHFFFAOYSA-N -1 3 380.444 3.665 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2SC)ccc1F ZINC001129802794 883246516 /nfs/dbraw/zinc/24/65/16/883246516.db2.gz QOFBRIQDJPKFHH-UHFFFAOYSA-N -1 3 394.493 3.573 20 30 GHEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1[O-] ZINC000760212875 883594695 /nfs/dbraw/zinc/59/46/95/883594695.db2.gz SVDRBRFLZKRKPJ-WYMPLXKRSA-N -1 3 393.418 3.598 20 30 GHEDHM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1Cl ZINC000609819061 883695103 /nfs/dbraw/zinc/69/51/03/883695103.db2.gz OXTBONARMRUWKT-AEFFLSMTSA-N -1 3 390.892 3.916 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2ccc(CC)cc2)ccc1F ZINC000914519980 883992306 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386.311 3.686 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000194099395 888020328 /nfs/dbraw/zinc/02/03/28/888020328.db2.gz XEFSQZQIGZGCEY-OAQYLSRUSA-N -1 3 377.488 3.940 20 30 GHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000796087378 913257158 /nfs/dbraw/zinc/25/71/58/913257158.db2.gz OWIUFLZACXECNT-CYBMUJFWSA-N -1 3 392.761 3.546 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccc2occc2c1 ZINC000794876873 888655328 /nfs/dbraw/zinc/65/53/28/888655328.db2.gz LKJJMHOAUWDCKM-QGZVFWFLSA-N -1 3 378.413 3.708 20 30 GHEDHM CCCCCCCCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000916194381 888814038 /nfs/dbraw/zinc/81/40/38/888814038.db2.gz XJQZXCFPQGAHNS-UHFFFAOYSA-N -1 3 375.513 3.610 20 30 GHEDHM CC(C)Oc1ccccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916320733 888921974 /nfs/dbraw/zinc/92/19/74/888921974.db2.gz IDEXXWDLRUSGAQ-SFHVURJKSA-N -1 3 396.472 3.749 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)c1 ZINC000811187370 889273545 /nfs/dbraw/zinc/27/35/45/889273545.db2.gz FWKYJUALJXBBGP-UHFFFAOYSA-N -1 3 390.182 3.978 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000811188792 889275018 /nfs/dbraw/zinc/27/50/18/889275018.db2.gz XXRVXZIENQCHJY-SECBINFHSA-N -1 3 379.199 3.755 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c(C#N)cc1N(C)C ZINC000811833167 890018736 /nfs/dbraw/zinc/01/87/36/890018736.db2.gz PFKATDVOEDBCHS-HJWRWDBZSA-N -1 3 375.881 3.999 20 30 GHEDHM CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000154390624 891954425 /nfs/dbraw/zinc/95/44/25/891954425.db2.gz YLIIDENQSQQIHI-QGZVFWFLSA-N -1 3 390.436 3.722 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000121957623 891965783 /nfs/dbraw/zinc/96/57/83/891965783.db2.gz YQUOSDWKYGEQPL-UHFFFAOYSA-N -1 3 383.879 3.774 20 30 GHEDHM Cc1c(Br)c(C)n(N=Cc2ccc3ccccc3c2[O-])c(=O)c1C#N ZINC000814918826 893291617 /nfs/dbraw/zinc/29/16/17/893291617.db2.gz BBSMLTNCDMXNHO-UHFFFAOYSA-N -1 3 396.244 3.840 20 30 GHEDHM C=C[C@@](C)(CC)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788472 893304991 /nfs/dbraw/zinc/30/49/91/893304991.db2.gz CNUHISZMSWEOPW-INIZCTEOSA-N -1 3 380.242 3.653 20 30 GHEDHM Cc1ccc(C#N)cc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000934703307 893831530 /nfs/dbraw/zinc/83/15/30/893831530.db2.gz IKPKYFFTAOHGGW-UHFFFAOYSA-N -1 3 397.862 3.717 20 30 GHEDHM CC[C@@H](C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000778297351 894150068 /nfs/dbraw/zinc/15/00/68/894150068.db2.gz HUPKHLIJXWBEQD-RISCZKNCSA-N -1 3 388.855 3.786 20 30 GHEDHM C=CCC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccccc1 ZINC000564340742 894877052 /nfs/dbraw/zinc/87/70/52/894877052.db2.gz XJNKRTBSGORELS-INIZCTEOSA-N -1 3 377.462 3.669 20 30 GHEDHM COc1cccc(C2(c3noc(CCc4c(C)[n-]c(=O)c(C#N)c4C)n3)CC2)c1 ZINC000288974850 913973369 /nfs/dbraw/zinc/97/33/69/913973369.db2.gz BHOOKMUFLUKOCP-UHFFFAOYSA-N -1 3 390.443 3.532 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cccc2cccnc12 ZINC000818235988 896093024 /nfs/dbraw/zinc/09/30/24/896093024.db2.gz YUXIMAWSVWIFCE-KRWDZBQOSA-N -1 3 389.440 3.510 20 30 GHEDHM COc1cc(/C=C2\Cc3c(cccc3[O-])C2=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000778519802 896111279 /nfs/dbraw/zinc/11/12/79/896111279.db2.gz UEWMDCSECRBVKS-VZUCSPMQSA-N -1 3 391.326 3.775 20 30 GHEDHM COc1cc(/C=C/C(=O)c2cccc([O-])c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000778518845 896140370 /nfs/dbraw/zinc/14/03/70/896140370.db2.gz ROALKFPQERLZMS-AATRIKPKSA-N -1 3 379.315 3.849 20 30 GHEDHM O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)N[C@@H]1CCCN([O-])C1=O ZINC000820482875 897353683 /nfs/dbraw/zinc/35/36/83/897353683.db2.gz STZGZGYOIBQQOT-TUPIDYKKSA-N -1 3 376.865 3.578 20 30 GHEDHM CN1CCCc2cc(C[N-]S(=O)(=O)c3c(C#N)sc4ccccc43)ccc21 ZINC001185997513 914223867 /nfs/dbraw/zinc/22/38/67/914223867.db2.gz IMMPRFNJDWQHKB-UHFFFAOYSA-N -1 3 397.525 3.634 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1cscn1 ZINC000826401315 899722199 /nfs/dbraw/zinc/72/21/99/899722199.db2.gz VJPNKPBALYKWOU-HJWRWDBZSA-N -1 3 389.440 3.798 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cscn1 ZINC000826401315 899722205 /nfs/dbraw/zinc/72/22/05/899722205.db2.gz VJPNKPBALYKWOU-HJWRWDBZSA-N -1 3 389.440 3.798 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccncc1 ZINC000826401173 899749684 /nfs/dbraw/zinc/74/96/84/899749684.db2.gz RLEACNCTNGPPJN-HJWRWDBZSA-N -1 3 383.411 3.737 20 30 GHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccncc1 ZINC000826401173 899749687 /nfs/dbraw/zinc/74/96/87/899749687.db2.gz RLEACNCTNGPPJN-HJWRWDBZSA-N -1 3 383.411 3.737 20 30 GHEDHM C[C@@H](Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662602 899749805 /nfs/dbraw/zinc/74/98/05/899749805.db2.gz NWSCWQMUVDALMA-GFCCVEGCSA-N -1 3 390.838 3.751 20 30 GHEDHM C[C@@H](Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662602 899749816 /nfs/dbraw/zinc/74/98/16/899749816.db2.gz NWSCWQMUVDALMA-GFCCVEGCSA-N -1 3 390.838 3.751 20 30 GHEDHM N#Cc1cccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000047338016 900752304 /nfs/dbraw/zinc/75/23/04/900752304.db2.gz BYNGODADNDXPQF-UHFFFAOYSA-N -1 3 398.850 3.800 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000845440046 902150956 /nfs/dbraw/zinc/15/09/56/902150956.db2.gz CIYLYOXFECSXJU-HNNXBMFYSA-N -1 3 399.834 3.651 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CSc1ccc([N+](=O)[O-])cc1 ZINC000845835773 902444493 /nfs/dbraw/zinc/44/44/93/902444493.db2.gz DYGMVZRCWYYTTQ-QGZVFWFLSA-N -1 3 380.425 3.697 20 30 GHEDHM N#CC(C(=O)CSc1ccc([N+](=O)[O-])cc1)=C([O-])C1(c2ccccc2)CC1 ZINC000845835773 902444497 /nfs/dbraw/zinc/44/44/97/902444497.db2.gz DYGMVZRCWYYTTQ-QGZVFWFLSA-N -1 3 380.425 3.697 20 30 GHEDHM COc1cccc(CO[C@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845839696 902453412 /nfs/dbraw/zinc/45/34/12/902453412.db2.gz VTGAZJCGBCULIH-OXQOHEQNSA-N -1 3 377.440 3.610 20 30 GHEDHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000265293851 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COc1ccc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc1C#N ZINC001188886550 916277045 /nfs/dbraw/zinc/27/70/45/916277045.db2.gz UOVLYNZPYKYRLQ-UHFFFAOYSA-N -1 3 381.413 3.555 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC001188892515 916281199 /nfs/dbraw/zinc/28/11/99/916281199.db2.gz SYVKXFNHFMKJCA-UHFFFAOYSA-N -1 3 380.425 3.687 20 30 GHEDHM O=S(=O)([N-]CCCCCCS)c1cc(Br)ccc1Cl ZINC001189773033 916908178 /nfs/dbraw/zinc/90/81/78/916908178.db2.gz CATLWHUUFZGMJX-UHFFFAOYSA-N -1 3 386.764 3.871 20 30 GHEDHM COc1ccc2nc([N-]C(=O)c3cc(F)c(Cl)c(C#N)c3Cl)nnc2c1 ZINC001189826283 916949777 /nfs/dbraw/zinc/94/97/77/916949777.db2.gz YQVISKZTWBZZDS-UHFFFAOYSA-N -1 3 392.177 3.603 20 30 GHEDHM CC(=O)Nc1cccc(-c2cc(C(=O)[N-]c3c(C#N)oc4ccccc43)n[nH]2)c1 ZINC001191381158 917943398 /nfs/dbraw/zinc/94/33/98/917943398.db2.gz SFMLFHNBWBAEKF-UHFFFAOYSA-N -1 3 385.383 3.905 20 30 GHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(C#Cc2cccs2)c1 ZINC000775473482 918131038 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386.437 3.986 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[nH]cc(C=NN=c2[n-]c(-c3ccccc3)no2)s1 ZINC000799877786 933149992 /nfs/dbraw/zinc/14/99/92/933149992.db2.gz GFLONZXAAWYDOS-UHFFFAOYSA-N -1 3 386.437 3.986 20 30 GHEDHM CC(C)(C)OC(=O)N=c1[nH]cc(C=NN=c2nc(-c3ccccc3)[n-]o2)s1 ZINC000799877786 933149996 /nfs/dbraw/zinc/14/99/96/933149996.db2.gz GFLONZXAAWYDOS-UHFFFAOYSA-N -1 3 386.437 3.986 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2c(C)cc(C)cc2C1 ZINC001122483481 934880281 /nfs/dbraw/zinc/88/02/81/934880281.db2.gz WZJKJGDAQQKHKK-UHFFFAOYSA-N -1 3 390.491 3.505 20 30 GHEDHM COCCCOc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC001122988955 935048691 /nfs/dbraw/zinc/04/86/91/935048691.db2.gz GMLQDSOPCJOWJO-QGZVFWFLSA-N -1 3 375.428 3.844 20 30 GHEDHM CCCCCCCCc1nnc([N-]C(=O)c2cc(C(=O)OC)ccn2)s1 ZINC001124832699 935476215 /nfs/dbraw/zinc/47/62/15/935476215.db2.gz CAUIERORABSTEF-UHFFFAOYSA-N -1 3 376.482 3.875 20 30 GHEDHM C=C(CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2)c1ccccc1 ZINC001573295733 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20 30 GHEDHM C=CCOc1ccc(CC(=O)N(c2ccccc2-c2nnn[n-]2)C2CCC2)cc1 ZINC001573348716 947585867 /nfs/dbraw/zinc/58/58/67/947585867.db2.gz STIXLFWRNJSCNQ-UHFFFAOYSA-N -1 3 389.459 3.560 20 30 GHEDHM C=CCOc1ccc(CC(=O)N(c2ccccc2-c2nn[n-]n2)C2CCC2)cc1 ZINC001573348716 947585873 /nfs/dbraw/zinc/58/58/73/947585873.db2.gz STIXLFWRNJSCNQ-UHFFFAOYSA-N -1 3 389.459 3.560 20 30 GHEDHM CC(C)Oc1ccc(CC[C@@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001574692705 949035542 /nfs/dbraw/zinc/03/55/42/949035542.db2.gz AQJJIWUULUWZQM-OAHLLOKOSA-N -1 3 376.464 3.959 20 30 GHEDHM CC(C)Oc1ccc(CC[C@@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001574692705 949035560 /nfs/dbraw/zinc/03/55/60/949035560.db2.gz AQJJIWUULUWZQM-OAHLLOKOSA-N -1 3 376.464 3.959 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001574470868 949517062 /nfs/dbraw/zinc/51/70/62/949517062.db2.gz HXVXGCMOJXCMDJ-SNVBAGLBSA-N -1 3 399.867 3.562 20 30 GHEDHM C[C@@H](C(=O)[O-])[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001589470130 986953296 /nfs/dbraw/zinc/95/32/96/986953296.db2.gz WRNNQLKOJGJHQA-KDOFPFPSSA-N -1 3 377.362 3.988 20 30 GHEDHM CC(C)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCN1Cc1ccccc1 ZINC001591096966 991696919 /nfs/dbraw/zinc/69/69/19/991696919.db2.gz ZUPDZPPSJYNGOV-QFIPXVFZSA-N -1 3 377.488 3.599 20 30 GHEDHM COc1cc(OC2CCC(C#N)CC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227395072 1032403030 /nfs/dbraw/zinc/40/30/30/1032403030.db2.gz KVVOQPRPFCXJPW-UHFFFAOYSA-N -1 3 391.423 3.946 20 30 GHEDHM COc1cc(O[C@@H]2CC[C@H](C#N)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227396762 1032404040 /nfs/dbraw/zinc/40/40/40/1032404040.db2.gz YHQAZSUDKSJOBQ-QWHCGFSZSA-N -1 3 377.396 3.556 20 30 GHEDHM Cn1ccc2c1nc(Cl)nc2NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155909324 1032784656 /nfs/dbraw/zinc/78/46/56/1032784656.db2.gz MQCFPBBHBBOVTA-UHFFFAOYSA-N -1 3 385.733 3.768 20 30 GHEDHM CCOC(=O)[C@H]1CC[C@@H](Oc2ccccc2N=CC=Nc2ccccc2[O-])CO1 ZINC001228127431 1032797324 /nfs/dbraw/zinc/79/73/24/1032797324.db2.gz RVJJKHZONZJUEV-IIBYNOLFSA-N -1 3 396.443 3.987 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192420032 1020874228 /nfs/dbraw/zinc/87/42/28/1020874228.db2.gz GBYAEEULOGGGDA-UHFFFAOYSA-N -1 3 382.222 3.881 20 30 GHEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cccc([O-])c1Br)C2 ZINC001140548968 1021950480 /nfs/dbraw/zinc/95/04/80/1021950480.db2.gz AKVXFXHECZCEIM-IBGZPJMESA-N -1 3 393.325 3.688 20 30 GHEDHM [O-]c1ccc(CN=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1F ZINC000755718162 1023349212 /nfs/dbraw/zinc/34/92/12/1023349212.db2.gz VPEGJVPOONFJQC-UHFFFAOYSA-N -1 3 377.301 3.848 20 30 GHEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001228958987 1033201029 /nfs/dbraw/zinc/20/10/29/1033201029.db2.gz PWSFRDTWHKSWHX-KUHUBIRLSA-N -1 3 388.464 3.856 20 30 GHEDHM CC(C)(C)OC(=O)n1ccc2c1cccc2C(=O)N([O-])C(=N)c1ccccc1N ZINC001151704537 1030976461 /nfs/dbraw/zinc/97/64/61/1030976461.db2.gz BJWQOGKZEIHDSH-UHFFFAOYSA-N -1 3 394.431 3.864 20 30 GHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc2c1CN(Cc1ccccc1)C2 ZINC001151813379 1031013654 /nfs/dbraw/zinc/01/36/54/1031013654.db2.gz QZRBYZUVGGUHBT-UHFFFAOYSA-N -1 3 386.455 3.642 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccnc3c(C)cccc23)c(C)c1[O-] ZINC001154035364 1031890821 /nfs/dbraw/zinc/89/08/21/1031890821.db2.gz BXFPLJPGDNKLQB-UHFFFAOYSA-N -1 3 389.411 3.858 20 30 GHEDHM COC(=O)c1cccc2c(C(=O)Nc3ccccc3-c3ccc(C#N)cn3)[n-]nc21 ZINC001154147448 1031951336 /nfs/dbraw/zinc/95/13/36/1031951336.db2.gz TWYJROBFZNYPPP-UHFFFAOYSA-N -1 3 397.394 3.535 20 30 GHEDHM COC(=O)c1cccc2c(C(=O)Nc3ccccc3-c3ccc(C#N)cn3)n[n-]c21 ZINC001154147448 1031951339 /nfs/dbraw/zinc/95/13/39/1031951339.db2.gz TWYJROBFZNYPPP-UHFFFAOYSA-N -1 3 397.394 3.535 20 30 GHEDHM C#C[C@@H](CC)NC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001205658522 1033515015 /nfs/dbraw/zinc/51/50/15/1033515015.db2.gz IMEJJYOBSNECGX-INIZCTEOSA-N -1 3 385.489 3.638 20 30 GHEDHM [O-]c1ccc(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc1C(F)(F)F ZINC001231524074 1034676624 /nfs/dbraw/zinc/67/66/24/1034676624.db2.gz LUIXBAMSSBQDHB-STQMWFEESA-N -1 3 375.284 3.638 20 30 GHEDHM O=C([C@@H]1C[C@]12C(=O)Nc1ccccc12)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785474 1035301570 /nfs/dbraw/zinc/30/15/70/1035301570.db2.gz XHMAFSUWOMYLIJ-KBXCAEBGSA-N -1 3 377.227 3.621 20 30 GHEDHM CCCCCCN([O-])C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 ZINC001161827143 1035310107 /nfs/dbraw/zinc/31/01/07/1035310107.db2.gz VVFOQSQTESBZRD-UHFFFAOYSA-N -1 3 390.484 3.771 20 30 GHEDHM COC(=O)[C@@H](Oc1ccc(C(C)=N[O-])cc1)c1cccc(Br)c1 ZINC001234084423 1039820250 /nfs/dbraw/zinc/82/02/50/1039820250.db2.gz ZMWDRLSTAQUVGS-INIZCTEOSA-N -1 3 378.222 3.940 20 30 GHEDHM COc1cc(F)c(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)cc1OC ZINC001236295964 1041663155 /nfs/dbraw/zinc/66/31/55/1041663155.db2.gz XYGRYUSPMULIBZ-UFFVCSGVSA-N -1 3 375.400 3.698 20 30 GHEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC001293874822 1044356728 /nfs/dbraw/zinc/35/67/28/1044356728.db2.gz LOAMGWHKBGIRMX-ZMZPIMSZSA-N -1 3 393.365 3.629 20 30 GHEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001304565594 1047715057 /nfs/dbraw/zinc/71/50/57/1047715057.db2.gz JWXRKHCYSMHVJJ-UHFFFAOYSA-N -1 3 388.427 3.820 20 30 GHEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1 ZINC001304565594 1047715061 /nfs/dbraw/zinc/71/50/61/1047715061.db2.gz JWXRKHCYSMHVJJ-UHFFFAOYSA-N -1 3 388.427 3.820 20 30 GHEDHM Cc1cccc(C)c1OC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC001309290515 1050562847 /nfs/dbraw/zinc/56/28/47/1050562847.db2.gz PVFCWXLUJYOKLX-LJQANCHMSA-N -1 3 396.468 3.867 20 30 GHEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC001309459458 1050735313 /nfs/dbraw/zinc/73/53/13/1050735313.db2.gz MNTOJUVTYONWNE-CYBMUJFWSA-N -1 3 399.335 3.653 20 30 GHEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2C#N)c2ccco2)cc1 ZINC001309591036 1050841386 /nfs/dbraw/zinc/84/13/86/1050841386.db2.gz MNLWIVPRQSODOO-HXUWFJFHSA-N -1 3 382.441 3.536 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCOC)c1[O-] ZINC001342666773 1053288593 /nfs/dbraw/zinc/28/85/93/1053288593.db2.gz QYDWUVNKLYLMDD-UHFFFAOYSA-N -1 3 395.507 3.546 20 30 GHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(SC(C)(C)C)c1 ZINC001343463255 1053785536 /nfs/dbraw/zinc/78/55/36/1053785536.db2.gz OFDRTSINHCLEDW-AWEZNQCLSA-N -1 3 383.473 3.942 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@@H](c2ccccc2)C1 ZINC001343735383 1053991476 /nfs/dbraw/zinc/99/14/76/1053991476.db2.gz WUPWWBVPEGDQPQ-MRXNPFEDSA-N -1 3 383.477 3.509 20 30 GHEDHM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(CN2CCCCC2)o1)c1ccccc1 ZINC001345886833 1055313466 /nfs/dbraw/zinc/31/34/66/1055313466.db2.gz HUDDWSLHXHIBCP-WOJBJXKFSA-N -1 3 393.487 3.855 20 30 GHEDHM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(CN2CCCCC2)o1)c1ccccc1 ZINC001345886820 1055313536 /nfs/dbraw/zinc/31/35/36/1055313536.db2.gz HUDDWSLHXHIBCP-PMACEKPBSA-N -1 3 393.487 3.855 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(OCC#N)cc3)cc2)cc(=O)[n-]1 ZINC001320103000 1055654997 /nfs/dbraw/zinc/65/49/97/1055654997.db2.gz PVYYYTMJCOTOKW-UHFFFAOYSA-N -1 3 375.388 3.704 20 30 GHEDHM CCc1c(C(=O)N([O-])CCCCc2ccccc2)nnn1Cc1ccc(F)cc1 ZINC001472619195 1056571924 /nfs/dbraw/zinc/57/19/24/1056571924.db2.gz AJZTYQLDOSCXEO-UHFFFAOYSA-N -1 3 396.466 3.882 20 30 GHEDHM N#C[C@H]([N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001324001523 1057053153 /nfs/dbraw/zinc/05/31/53/1057053153.db2.gz QATBZLULAPNICB-NSHDSACASA-N -1 3 397.300 3.595 20 30 GHEDHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1Cc2ccc(C#N)cc2C1 ZINC001339346695 1059128899 /nfs/dbraw/zinc/12/88/99/1059128899.db2.gz BHZBTWVTCWBHEF-UHFFFAOYSA-N -1 3 393.878 3.834 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1OC(C)(C)C ZINC001361209915 1061724465 /nfs/dbraw/zinc/72/44/65/1061724465.db2.gz RSMYNPVMDNZBOD-UHFFFAOYSA-N -1 3 381.476 3.702 20 30 GHEDHM N#Cc1ccc(Nc2cccc(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)c2)cc1 ZINC001455673751 1062254941 /nfs/dbraw/zinc/25/49/41/1062254941.db2.gz KWVRLZHPCVRCFO-UHFFFAOYSA-N -1 3 385.427 3.605 20 30 GHEDHM O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457982243 1063481747 /nfs/dbraw/zinc/48/17/47/1063481747.db2.gz LDLLGTZVKRAENS-UHFFFAOYSA-N -1 3 386.147 3.841 20 30 GHEDHM CCC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC001464339102 1064961911 /nfs/dbraw/zinc/96/19/11/1064961911.db2.gz LDMRDDUGTUTMGB-QGZVFWFLSA-N -1 3 396.390 3.733 20 30 GHEDHM CC(C)(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000847623313 1065775556 /nfs/dbraw/zinc/77/55/56/1065775556.db2.gz HYRIBCBGFNTFOZ-CYBMUJFWSA-N -1 3 392.431 3.914 20 30 GHEDHM Cn1c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccc1-c1ccc(F)cc1 ZINC001357569264 1067166547 /nfs/dbraw/zinc/16/65/47/1067166547.db2.gz XVAWEZKXSUQHMZ-INIZCTEOSA-N -1 3 385.402 3.847 20 30 GHEDHM Cc1sc2ncn(CCC(=O)N([O-])Cc3ccccc3Cl)c(=O)c2c1C ZINC001472618972 1073579561 /nfs/dbraw/zinc/57/95/61/1073579561.db2.gz QHEJMUVGZAVFGC-UHFFFAOYSA-N -1 3 391.880 3.536 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000737718789 598917713 /nfs/dbraw/zinc/91/77/13/598917713.db2.gz MZENXQOGBDDXBI-UHFFFAOYSA-N -1 3 391.394 3.529 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000737718789 598917714 /nfs/dbraw/zinc/91/77/14/598917714.db2.gz MZENXQOGBDDXBI-UHFFFAOYSA-N -1 3 391.394 3.529 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc3c(s2)CCCCCC3)ccc1-c1nnn[n-]1 ZINC000737708417 598921556 /nfs/dbraw/zinc/92/15/56/598921556.db2.gz FSPAHMOBIHGWIT-UHFFFAOYSA-N -1 3 378.461 3.711 20 30 GHEDHM N#Cc1cc(NC(=O)c2cc3c(s2)CCCCCC3)ccc1-c1nn[n-]n1 ZINC000737708417 598921557 /nfs/dbraw/zinc/92/15/57/598921557.db2.gz FSPAHMOBIHGWIT-UHFFFAOYSA-N -1 3 378.461 3.711 20 30 GHEDHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736193865 598926294 /nfs/dbraw/zinc/92/62/94/598926294.db2.gz UVGVPDJNHYTLTC-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736193865 598926296 /nfs/dbraw/zinc/92/62/96/598926296.db2.gz UVGVPDJNHYTLTC-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737317902 598928466 /nfs/dbraw/zinc/92/84/66/598928466.db2.gz QHBFRFFNCPZDON-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737317902 598928467 /nfs/dbraw/zinc/92/84/67/598928467.db2.gz QHBFRFFNCPZDON-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737318809 598928739 /nfs/dbraw/zinc/92/87/39/598928739.db2.gz XYOUZJHFDQKPHP-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737318809 598928741 /nfs/dbraw/zinc/92/87/41/598928741.db2.gz XYOUZJHFDQKPHP-AWEZNQCLSA-N -1 3 390.447 3.576 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000735418559 599059459 /nfs/dbraw/zinc/05/94/59/599059459.db2.gz GQIDWZPCZVYUSB-QGZVFWFLSA-N -1 3 390.491 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000735418559 599059462 /nfs/dbraw/zinc/05/94/62/599059462.db2.gz GQIDWZPCZVYUSB-QGZVFWFLSA-N -1 3 390.491 3.676 20 30 GHEDHM Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)n2c3ccccc3nc2c1C#N ZINC000822209758 599070416 /nfs/dbraw/zinc/07/04/16/599070416.db2.gz VQXKFRSGXDUNTR-UHFFFAOYSA-N -1 3 398.405 3.599 20 30 GHEDHM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)n2c3ccccc3nc2c1C#N ZINC000822209758 599070418 /nfs/dbraw/zinc/07/04/18/599070418.db2.gz VQXKFRSGXDUNTR-UHFFFAOYSA-N -1 3 398.405 3.599 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(Br)ccc1F ZINC000823504396 599114864 /nfs/dbraw/zinc/11/48/64/599114864.db2.gz PWOFCSWUDOPGBJ-DHZHZOJOSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(Br)ccc1F ZINC000823504396 599114865 /nfs/dbraw/zinc/11/48/65/599114865.db2.gz PWOFCSWUDOPGBJ-DHZHZOJOSA-N -1 3 399.223 3.981 20 30 GHEDHM O=C1C(=Cc2cc(Br)cs2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503587 599114400 /nfs/dbraw/zinc/11/44/00/599114400.db2.gz HNGNBMWOFMAUMY-POHAHGRESA-N -1 3 387.262 3.903 20 30 GHEDHM O=C1C(=Cc2cc(Br)cs2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503587 599114402 /nfs/dbraw/zinc/11/44/02/599114402.db2.gz HNGNBMWOFMAUMY-POHAHGRESA-N -1 3 387.262 3.903 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OCC(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737080601 599153759 /nfs/dbraw/zinc/15/37/59/599153759.db2.gz DKBCCQHRJZTBIH-WMZJFQQLSA-N -1 3 378.432 3.806 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OCC(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737080601 599153763 /nfs/dbraw/zinc/15/37/63/599153763.db2.gz DKBCCQHRJZTBIH-WMZJFQQLSA-N -1 3 378.432 3.806 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000735420685 599199360 /nfs/dbraw/zinc/19/93/60/599199360.db2.gz PVASJZSERGTKIK-UHFFFAOYSA-N -1 3 386.459 3.793 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000735420685 599199361 /nfs/dbraw/zinc/19/93/61/599199361.db2.gz PVASJZSERGTKIK-UHFFFAOYSA-N -1 3 386.459 3.793 20 30 GHEDHM C[C@@H](CC#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735975524 599220079 /nfs/dbraw/zinc/22/00/79/599220079.db2.gz OZJITUREVJRUBO-NSHDSACASA-N -1 3 383.795 3.771 20 30 GHEDHM Cc1cc(C(=O)Nc2cccc(C#N)c2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822015649 607325378 /nfs/dbraw/zinc/32/53/78/607325378.db2.gz MRLNDUZQQWBYDJ-UHFFFAOYSA-N -1 3 397.442 3.707 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000735418650 598290220 /nfs/dbraw/zinc/29/02/20/598290220.db2.gz HXDILGWFQDPBEZ-OAHLLOKOSA-N -1 3 387.447 3.666 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000735418650 598290222 /nfs/dbraw/zinc/29/02/22/598290222.db2.gz HXDILGWFQDPBEZ-OAHLLOKOSA-N -1 3 387.447 3.666 20 30 GHEDHM C=CCN(Cc1cccs1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735426645 598318577 /nfs/dbraw/zinc/31/85/77/598318577.db2.gz UEIKQELXNXDDGV-UHFFFAOYSA-N -1 3 390.925 3.967 20 30 GHEDHM C=CCN(Cc1cccs1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735426645 598318578 /nfs/dbraw/zinc/31/85/78/598318578.db2.gz UEIKQELXNXDDGV-UHFFFAOYSA-N -1 3 390.925 3.967 20 30 GHEDHM CCOc1ccc(C#N)cc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736636077 598321778 /nfs/dbraw/zinc/32/17/78/598321778.db2.gz HGIRRFGGHCJTBV-UHFFFAOYSA-N -1 3 399.867 3.599 20 30 GHEDHM CCOc1ccc(C#N)cc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736636077 598321780 /nfs/dbraw/zinc/32/17/80/598321780.db2.gz HGIRRFGGHCJTBV-UHFFFAOYSA-N -1 3 399.867 3.599 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(Br)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202329 598378227 /nfs/dbraw/zinc/37/82/27/598378227.db2.gz LLTYFORBUCBNHB-RMKNXTFCSA-N -1 3 398.264 3.581 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(Br)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202329 598378228 /nfs/dbraw/zinc/37/82/28/598378228.db2.gz LLTYFORBUCBNHB-RMKNXTFCSA-N -1 3 398.264 3.581 20 30 GHEDHM COc1ccc2cc(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)ccc2c1 ZINC000737118434 598378499 /nfs/dbraw/zinc/37/84/99/598378499.db2.gz FAHQBSFIBURMJE-POHAHGRESA-N -1 3 399.454 3.981 20 30 GHEDHM COc1ccc2cc(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)ccc2c1 ZINC000737118434 598378500 /nfs/dbraw/zinc/37/85/00/598378500.db2.gz FAHQBSFIBURMJE-POHAHGRESA-N -1 3 399.454 3.981 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735506286 598503163 /nfs/dbraw/zinc/50/31/63/598503163.db2.gz UYJYYWLVHCWVMJ-CQSZACIVSA-N -1 3 380.477 3.609 20 30 GHEDHM CCc1c(C)sc(NC(=O)CSCc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000736677075 598516113 /nfs/dbraw/zinc/51/61/13/598516113.db2.gz ZATMUJBCKGXLAY-UHFFFAOYSA-N -1 3 398.517 3.543 20 30 GHEDHM CCc1c(C)sc(NC(=O)CSCc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000736677075 598516114 /nfs/dbraw/zinc/51/61/14/598516114.db2.gz ZATMUJBCKGXLAY-UHFFFAOYSA-N -1 3 398.517 3.543 20 30 GHEDHM C(=NOCc1ccccc1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735401207 598545887 /nfs/dbraw/zinc/54/58/87/598545887.db2.gz ZZFAADNYAATDCD-UHFFFAOYSA-N -1 3 385.427 3.996 20 30 GHEDHM C(=NOCc1ccccc1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735401207 598545889 /nfs/dbraw/zinc/54/58/89/598545889.db2.gz ZZFAADNYAATDCD-UHFFFAOYSA-N -1 3 385.427 3.996 20 30 GHEDHM N#Cc1ccc(C=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000737711002 598547075 /nfs/dbraw/zinc/54/70/75/598547075.db2.gz DNAQUKFQLGIYFD-CSKARUKUSA-N -1 3 380.411 3.883 20 30 GHEDHM N#Cc1ccc(C=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000737711002 598547076 /nfs/dbraw/zinc/54/70/76/598547076.db2.gz DNAQUKFQLGIYFD-CSKARUKUSA-N -1 3 380.411 3.883 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735974507 598564374 /nfs/dbraw/zinc/56/43/74/598564374.db2.gz KUWRMQSFMYYIEW-CYBMUJFWSA-N -1 3 393.476 3.583 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735974507 598564376 /nfs/dbraw/zinc/56/43/76/598564376.db2.gz KUWRMQSFMYYIEW-CYBMUJFWSA-N -1 3 393.476 3.583 20 30 GHEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737730957 598647257 /nfs/dbraw/zinc/64/72/57/598647257.db2.gz TXWGNYNNEWBACP-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737730957 598647258 /nfs/dbraw/zinc/64/72/58/598647258.db2.gz TXWGNYNNEWBACP-UHFFFAOYSA-N -1 3 396.838 3.580 20 30 GHEDHM Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000737646859 598682503 /nfs/dbraw/zinc/68/25/03/598682503.db2.gz ALRRRKJQKUJAFE-NXEZZACHSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000737646859 598682505 /nfs/dbraw/zinc/68/25/05/598682505.db2.gz ALRRRKJQKUJAFE-NXEZZACHSA-N -1 3 397.298 3.569 20 30 GHEDHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000736152388 598735340 /nfs/dbraw/zinc/73/53/40/598735340.db2.gz UGAYXFYOTBAQSV-HNNXBMFYSA-N -1 3 391.431 3.592 20 30 GHEDHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000736152388 598735342 /nfs/dbraw/zinc/73/53/42/598735342.db2.gz UGAYXFYOTBAQSV-HNNXBMFYSA-N -1 3 391.431 3.592 20 30 GHEDHM N#CCC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826381773 607391768 /nfs/dbraw/zinc/39/17/68/607391768.db2.gz YQMGQLCWOAQILR-MRXNPFEDSA-N -1 3 381.827 3.687 20 30 GHEDHM N#CCC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826381773 607391769 /nfs/dbraw/zinc/39/17/69/607391769.db2.gz YQMGQLCWOAQILR-MRXNPFEDSA-N -1 3 381.827 3.687 20 30 GHEDHM N#Cc1ccc([C@@H](NCc2ccc(COCC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000739108916 600593147 /nfs/dbraw/zinc/59/31/47/600593147.db2.gz YCCKDQXBPDJIRE-QGZVFWFLSA-N -1 3 378.350 3.553 20 30 GHEDHM C=CCC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000823894517 607459805 /nfs/dbraw/zinc/45/98/05/607459805.db2.gz RZNRHNVUBOHXLL-IBGZPJMESA-N -1 3 388.475 3.863 20 30 GHEDHM C=CCC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000823894517 607459806 /nfs/dbraw/zinc/45/98/06/607459806.db2.gz RZNRHNVUBOHXLL-IBGZPJMESA-N -1 3 388.475 3.863 20 30 GHEDHM N#Cc1cccc([C@@H](NCc2ccc(COCC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833075562 601299914 /nfs/dbraw/zinc/29/99/14/601299914.db2.gz MFSBREIJQMNQFE-QGZVFWFLSA-N -1 3 378.350 3.553 20 30 GHEDHM CN(CCCOc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830777032 602050829 /nfs/dbraw/zinc/05/08/29/602050829.db2.gz JMJLRNQXYAVJSH-GOSISDBHSA-N -1 3 378.350 3.502 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000826250760 607688574 /nfs/dbraw/zinc/68/85/74/607688574.db2.gz QVDMHUFCLIWZQV-CYBMUJFWSA-N -1 3 378.461 3.822 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000826250760 607688576 /nfs/dbraw/zinc/68/85/76/607688576.db2.gz QVDMHUFCLIWZQV-CYBMUJFWSA-N -1 3 378.461 3.822 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCCCC2)c(F)c1 ZINC000822924217 606304543 /nfs/dbraw/zinc/30/45/43/606304543.db2.gz ZBAITQITZVWRCJ-ALCCZGGFSA-N -1 3 383.452 3.954 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCCCC2)c(F)c1 ZINC000822924217 606304545 /nfs/dbraw/zinc/30/45/45/606304545.db2.gz ZBAITQITZVWRCJ-ALCCZGGFSA-N -1 3 383.452 3.954 20 30 GHEDHM N#Cc1ccc(C=C2CSCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825679 606389039 /nfs/dbraw/zinc/38/90/39/606389039.db2.gz LEZRMSNHSZWMFF-NJWBCTSZSA-N -1 3 397.510 3.644 20 30 GHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822486993 606391191 /nfs/dbraw/zinc/39/11/91/606391191.db2.gz WQYSBOCSEFOLNC-CSKARUKUSA-N -1 3 376.445 3.627 20 30 GHEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822801695 606510526 /nfs/dbraw/zinc/51/05/26/606510526.db2.gz MOJFTSOPIBZCQW-NRFANRHFSA-N -1 3 394.438 3.703 20 30 GHEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822801695 606510528 /nfs/dbraw/zinc/51/05/28/606510528.db2.gz MOJFTSOPIBZCQW-NRFANRHFSA-N -1 3 394.438 3.703 20 30 GHEDHM N#Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822826452 606597729 /nfs/dbraw/zinc/59/77/29/606597729.db2.gz YYXRNKRUUGVOON-UHFFFAOYSA-N -1 3 376.754 3.605 20 30 GHEDHM N#Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822826452 606597731 /nfs/dbraw/zinc/59/77/31/606597731.db2.gz YYXRNKRUUGVOON-UHFFFAOYSA-N -1 3 376.754 3.605 20 30 GHEDHM CC[C@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000820841824 606613585 /nfs/dbraw/zinc/61/35/85/606613585.db2.gz FWTJRZNGAVTAIP-CYBMUJFWSA-N -1 3 383.795 3.771 20 30 GHEDHM CC[C@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000820841824 606613587 /nfs/dbraw/zinc/61/35/87/606613587.db2.gz FWTJRZNGAVTAIP-CYBMUJFWSA-N -1 3 383.795 3.771 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820556881 606628341 /nfs/dbraw/zinc/62/83/41/606628341.db2.gz WALXBGKCBXUBCU-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820556881 606628343 /nfs/dbraw/zinc/62/83/43/606628343.db2.gz WALXBGKCBXUBCU-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(CCC#N)C(C)C)cc1 ZINC000822137589 606790018 /nfs/dbraw/zinc/79/00/18/606790018.db2.gz VPYPCSORTGBCOZ-UHFFFAOYSA-N -1 3 390.447 3.732 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(CCC#N)C(C)C)cc1 ZINC000822137589 606790020 /nfs/dbraw/zinc/79/00/20/606790020.db2.gz VPYPCSORTGBCOZ-UHFFFAOYSA-N -1 3 390.447 3.732 20 30 GHEDHM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000819845197 606832585 /nfs/dbraw/zinc/83/25/85/606832585.db2.gz QTYQMENAOOZRBI-LLVKDONJSA-N -1 3 397.826 3.594 20 30 GHEDHM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000819845197 606832587 /nfs/dbraw/zinc/83/25/87/606832587.db2.gz QTYQMENAOOZRBI-LLVKDONJSA-N -1 3 397.826 3.594 20 30 GHEDHM C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820550652 606851178 /nfs/dbraw/zinc/85/11/78/606851178.db2.gz YIERZSNATOJQBF-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820550652 606851180 /nfs/dbraw/zinc/85/11/80/606851180.db2.gz YIERZSNATOJQBF-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM CC(C)c1ncc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000820206013 606918212 /nfs/dbraw/zinc/91/82/12/606918212.db2.gz ADVBZPCOVKFNHX-UHFFFAOYSA-N -1 3 381.387 3.911 20 30 GHEDHM CC(C)c1ncc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000820206013 606918213 /nfs/dbraw/zinc/91/82/13/606918213.db2.gz ADVBZPCOVKFNHX-UHFFFAOYSA-N -1 3 381.387 3.911 20 30 GHEDHM C=CCC(CC=C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000819734900 606931911 /nfs/dbraw/zinc/93/19/11/606931911.db2.gz XBFLFJNNHPZGKF-UHFFFAOYSA-N -1 3 379.386 3.526 20 30 GHEDHM C=CCC(CC=C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000819734900 606931912 /nfs/dbraw/zinc/93/19/12/606931912.db2.gz XBFLFJNNHPZGKF-UHFFFAOYSA-N -1 3 379.386 3.526 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000819745935 606954864 /nfs/dbraw/zinc/95/48/64/606954864.db2.gz VLKKNZGOKIPKQZ-UHFFFAOYSA-N -1 3 386.818 3.879 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000819745935 606954866 /nfs/dbraw/zinc/95/48/66/606954866.db2.gz VLKKNZGOKIPKQZ-UHFFFAOYSA-N -1 3 386.818 3.879 20 30 GHEDHM Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000822766470 606966644 /nfs/dbraw/zinc/96/66/44/606966644.db2.gz KANFYBYMSRTHQA-UWVGGRQHSA-N -1 3 397.298 3.569 20 30 GHEDHM Fc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000822766470 606966645 /nfs/dbraw/zinc/96/66/45/606966645.db2.gz KANFYBYMSRTHQA-UWVGGRQHSA-N -1 3 397.298 3.569 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819745967 607010807 /nfs/dbraw/zinc/01/08/07/607010807.db2.gz WZCIBTVLLSFYRY-CYBMUJFWSA-N -1 3 385.518 3.624 20 30 GHEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819745967 607010809 /nfs/dbraw/zinc/01/08/09/607010809.db2.gz WZCIBTVLLSFYRY-CYBMUJFWSA-N -1 3 385.518 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)c(F)cc1Cl ZINC000819745378 607123414 /nfs/dbraw/zinc/12/34/14/607123414.db2.gz AFKUCAGIPTZVFN-UHFFFAOYSA-N -1 3 385.830 3.796 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)c(F)cc1Cl ZINC000819745378 607123416 /nfs/dbraw/zinc/12/34/16/607123416.db2.gz AFKUCAGIPTZVFN-UHFFFAOYSA-N -1 3 385.830 3.796 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2csc3ccc(Cl)cc23)ccc1-c1nnn[n-]1 ZINC000826384302 607786120 /nfs/dbraw/zinc/78/61/20/607786120.db2.gz PTJAVITXUXSSSY-UHFFFAOYSA-N -1 3 394.847 3.788 20 30 GHEDHM N#Cc1cc(NC(=O)Cc2csc3ccc(Cl)cc23)ccc1-c1nn[n-]n1 ZINC000826384302 607786121 /nfs/dbraw/zinc/78/61/21/607786121.db2.gz PTJAVITXUXSSSY-UHFFFAOYSA-N -1 3 394.847 3.788 20 30 GHEDHM C[C@@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C#N ZINC000824723219 607807104 /nfs/dbraw/zinc/80/71/04/607807104.db2.gz NANMIHOXZBTCBT-CQSZACIVSA-N -1 3 391.431 3.541 20 30 GHEDHM C=CCOc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000823932316 607877708 /nfs/dbraw/zinc/87/77/08/607877708.db2.gz UNCWVQUQWWUCHT-UHFFFAOYSA-N -1 3 383.839 3.752 20 30 GHEDHM C=CCOc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000823932316 607877709 /nfs/dbraw/zinc/87/77/09/607877709.db2.gz UNCWVQUQWWUCHT-UHFFFAOYSA-N -1 3 383.839 3.752 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)OCC ZINC000823873485 607894560 /nfs/dbraw/zinc/89/45/60/607894560.db2.gz MVDVXHBAOWPDFQ-IBGZPJMESA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)OCC ZINC000823873485 607894561 /nfs/dbraw/zinc/89/45/61/607894561.db2.gz MVDVXHBAOWPDFQ-IBGZPJMESA-N -1 3 393.447 3.969 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000823909815 608537519 /nfs/dbraw/zinc/53/75/19/608537519.db2.gz RIATZFSAQNGYRQ-AWEZNQCLSA-N -1 3 396.882 3.979 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000823909815 608537520 /nfs/dbraw/zinc/53/75/20/608537520.db2.gz RIATZFSAQNGYRQ-AWEZNQCLSA-N -1 3 396.882 3.979 20 30 GHEDHM CCOc1cccc2cc(C(C)N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)oc21 ZINC000825654100 608537659 /nfs/dbraw/zinc/53/76/59/608537659.db2.gz OIBJXZAMTCFWEQ-UHFFFAOYSA-N -1 3 397.826 3.896 20 30 GHEDHM CCOc1cccc2cc(C(C)N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)oc21 ZINC000825654100 608537660 /nfs/dbraw/zinc/53/76/60/608537660.db2.gz OIBJXZAMTCFWEQ-UHFFFAOYSA-N -1 3 397.826 3.896 20 30 GHEDHM N#Cc1ccc(OC2CCC(Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)nc1 ZINC000826386026 608558475 /nfs/dbraw/zinc/55/84/75/608558475.db2.gz LTBOMLSDZWMEMC-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM N#Cc1ccc(OC2CCC(Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)nc1 ZINC000826386026 608558477 /nfs/dbraw/zinc/55/84/77/608558477.db2.gz LTBOMLSDZWMEMC-UHFFFAOYSA-N -1 3 395.854 3.589 20 30 GHEDHM C=CCN(Cc1cccs1)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000823919505 609181142 /nfs/dbraw/zinc/18/11/42/609181142.db2.gz JCPJILPUBBRVOC-UHFFFAOYSA-N -1 3 391.504 3.611 20 30 GHEDHM C=CCN(Cc1cccs1)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000823919505 609181144 /nfs/dbraw/zinc/18/11/44/609181144.db2.gz JCPJILPUBBRVOC-UHFFFAOYSA-N -1 3 391.504 3.611 20 30 GHEDHM C=C(C)COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000823878220 609272839 /nfs/dbraw/zinc/27/28/39/609272839.db2.gz SXOFIVCPMQEKIV-YWEYNIOJSA-N -1 3 394.406 3.865 20 30 GHEDHM C=C(C)COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000823878220 609272841 /nfs/dbraw/zinc/27/28/41/609272841.db2.gz SXOFIVCPMQEKIV-YWEYNIOJSA-N -1 3 394.406 3.865 20 30 GHEDHM CC(N=Nc1ncnc2c3ccccc3oc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963059 609275715 /nfs/dbraw/zinc/27/57/15/609275715.db2.gz UPPMPVQGMOUWTF-UHFFFAOYSA-N -1 3 388.366 3.531 20 30 GHEDHM CC(N=Nc1ncnc2c3ccccc3oc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963059 609275717 /nfs/dbraw/zinc/27/57/17/609275717.db2.gz UPPMPVQGMOUWTF-UHFFFAOYSA-N -1 3 388.366 3.531 20 30 GHEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826385721 609311565 /nfs/dbraw/zinc/31/15/65/609311565.db2.gz YBXDMNICHMHLBB-UHFFFAOYSA-N -1 3 390.241 3.932 20 30 GHEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000826385721 609311567 /nfs/dbraw/zinc/31/15/67/609311567.db2.gz YBXDMNICHMHLBB-UHFFFAOYSA-N -1 3 390.241 3.932 20 30 GHEDHM CC1(C)CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824796879 609400809 /nfs/dbraw/zinc/40/08/09/609400809.db2.gz TYCVXWGCJWQQNR-HUUCEWRRSA-N -1 3 392.488 3.993 20 30 GHEDHM CC1(C)CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824796879 609400811 /nfs/dbraw/zinc/40/08/11/609400811.db2.gz TYCVXWGCJWQQNR-HUUCEWRRSA-N -1 3 392.488 3.993 20 30 GHEDHM CCCCn1nc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1Cl ZINC000825301825 609471319 /nfs/dbraw/zinc/47/13/19/609471319.db2.gz PIRAKBOYWOVTPE-UHFFFAOYSA-N -1 3 393.282 3.925 20 30 GHEDHM CCCCn1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1Cl ZINC000825301825 609471320 /nfs/dbraw/zinc/47/13/20/609471320.db2.gz PIRAKBOYWOVTPE-UHFFFAOYSA-N -1 3 393.282 3.925 20 30 GHEDHM COc1ccc2c(c1)C(=NNc1ccc(-c3nnn[n-]3)c(Cl)c1)CCCO2 ZINC000826212248 609473732 /nfs/dbraw/zinc/47/37/32/609473732.db2.gz LAMIWUDSHAJOMS-UHFFFAOYSA-N -1 3 384.827 3.518 20 30 GHEDHM COc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)c(Cl)c1)CCCO2 ZINC000826212248 609473734 /nfs/dbraw/zinc/47/37/34/609473734.db2.gz LAMIWUDSHAJOMS-UHFFFAOYSA-N -1 3 384.827 3.518 20 30 GHEDHM C[C@H](C#N)Oc1ccccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824033838 609507714 /nfs/dbraw/zinc/50/77/14/609507714.db2.gz CILUBGCOAYBLIU-SNVBAGLBSA-N -1 3 399.867 3.620 20 30 GHEDHM C[C@H](C#N)Oc1ccccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824033838 609507715 /nfs/dbraw/zinc/50/77/15/609507715.db2.gz CILUBGCOAYBLIU-SNVBAGLBSA-N -1 3 399.867 3.620 20 30 GHEDHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000583893189 835206117 /nfs/dbraw/zinc/20/61/17/835206117.db2.gz MCJZESMJKAEKJY-AWEZNQCLSA-N -1 3 395.418 3.600 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2ccc(Cl)c(C)c21 ZINC000134412810 835497909 /nfs/dbraw/zinc/49/79/09/835497909.db2.gz VCQNIKZSMXNAQZ-UHFFFAOYSA-N -1 3 383.879 3.737 20 30 GHEDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000229927248 835732490 /nfs/dbraw/zinc/73/24/90/835732490.db2.gz YELVDUVESUEUGT-KPKJPENVSA-N -1 3 385.832 3.688 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc(Cl)c1[O-] ZINC000255834783 835874097 /nfs/dbraw/zinc/87/40/97/835874097.db2.gz YKKHMEUDJAEBDS-XQRVVYSFSA-N -1 3 398.839 3.883 20 30 GHEDHM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000174009079 836361594 /nfs/dbraw/zinc/36/15/94/836361594.db2.gz KBOHUWVSLXMUGZ-OAHLLOKOSA-N -1 3 397.454 3.618 20 30 GHEDHM CS(=O)(=O)c1csc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)c1 ZINC000155487840 838315156 /nfs/dbraw/zinc/31/51/56/838315156.db2.gz BRJMBOULVJXUCS-UHFFFAOYSA-N -1 3 380.516 3.606 20 30 GHEDHM CSc1nc(C2CC2)cc(C(=O)[N-]c2nnc(-c3ccco3)s2)c1C#N ZINC000053701597 840309836 /nfs/dbraw/zinc/30/98/36/840309836.db2.gz UGRCWBGEXPJVJQ-UHFFFAOYSA-N -1 3 383.458 3.916 20 30 GHEDHM C=CCN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CC1 ZINC000430598552 841355868 /nfs/dbraw/zinc/35/58/68/841355868.db2.gz SYHKEXSHBVIKBZ-UHFFFAOYSA-N -1 3 381.657 3.735 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2sc([C@@H](C)OC)nc2C)c(C#N)c1C ZINC000610519407 841851895 /nfs/dbraw/zinc/85/18/95/841851895.db2.gz SVSUMOFPESFQAV-SNVBAGLBSA-N -1 3 393.490 3.830 20 30 GHEDHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc12 ZINC000051655685 843531782 /nfs/dbraw/zinc/53/17/82/843531782.db2.gz QXEFRSXBQZEQRE-CYBMUJFWSA-N -1 3 380.358 3.512 20 30 GHEDHM N#Cc1c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCCCC2 ZINC000603941428 861427538 /nfs/dbraw/zinc/42/75/38/861427538.db2.gz SRAMTZIKPKBYIS-UHFFFAOYSA-N -1 3 385.401 3.778 20 30 GHEDHM CCOC(=O)c1ncc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[n-]1 ZINC000617877197 843598379 /nfs/dbraw/zinc/59/83/79/843598379.db2.gz GTPJJEOYHXSIKL-UHFFFAOYSA-N -1 3 376.372 3.503 20 30 GHEDHM CCOC(=O)c1nc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c[n-]1 ZINC000617877197 843598386 /nfs/dbraw/zinc/59/83/86/843598386.db2.gz GTPJJEOYHXSIKL-UHFFFAOYSA-N -1 3 376.372 3.503 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000279973373 844924910 /nfs/dbraw/zinc/92/49/10/844924910.db2.gz JLRGOUPOQRZILZ-WMZOPIPTSA-N -1 3 381.451 3.800 20 30 GHEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)s1 ZINC000421453917 846230295 /nfs/dbraw/zinc/23/02/95/846230295.db2.gz OBUKNCIYDFGWMT-UHFFFAOYSA-N -1 3 380.516 3.606 20 30 GHEDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137276214 846451070 /nfs/dbraw/zinc/45/10/70/846451070.db2.gz GOTWZHFQUPURPW-UHFFFAOYSA-N -1 3 377.853 3.669 20 30 GHEDHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000015645384 846607520 /nfs/dbraw/zinc/60/75/20/846607520.db2.gz VVJVTDAVMABRAO-GFCCVEGCSA-N -1 3 384.457 3.778 20 30 GHEDHM COCCn1c(C)c(C)c2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)ccc21 ZINC000503579758 847801557 /nfs/dbraw/zinc/80/15/57/847801557.db2.gz RCDAADUGCPGROM-IBGZPJMESA-N -1 3 376.460 3.801 20 30 GHEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nn1-c1ccccc1 ZINC000731768265 861854715 /nfs/dbraw/zinc/85/47/15/861854715.db2.gz GAYUSQKWCOFWQE-LJQANCHMSA-N -1 3 395.422 3.690 20 30 GHEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000140369617 850224888 /nfs/dbraw/zinc/22/48/88/850224888.db2.gz HOZJBYYFEJIADN-LLVKDONJSA-N -1 3 377.853 3.637 20 30 GHEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 ZINC000487335540 850692153 /nfs/dbraw/zinc/69/21/53/850692153.db2.gz NLMTXMUFBRWUQN-HNNXBMFYSA-N -1 3 385.272 3.531 20 30 GHEDHM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000911311002 851687406 /nfs/dbraw/zinc/68/74/06/851687406.db2.gz VTGYAPIWBQBUGI-LLVKDONJSA-N -1 3 390.365 3.633 20 30 GHEDHM C=CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436558290 852062054 /nfs/dbraw/zinc/06/20/54/852062054.db2.gz XGCQDLNYCBARQW-MRXNPFEDSA-N -1 3 391.475 3.881 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000625549241 862323055 /nfs/dbraw/zinc/32/30/55/862323055.db2.gz QRCMCUQOZUEHTP-UHFFFAOYSA-N -1 3 389.304 3.570 20 30 GHEDHM CCCCCCCCc1nnc([N-]C(=O)c2cn(C3CCOCC3)nn2)s1 ZINC000289505629 853035308 /nfs/dbraw/zinc/03/53/08/853035308.db2.gz QKVOSJCGPLYGQY-UHFFFAOYSA-N -1 3 392.529 3.636 20 30 GHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(Cl)c(C#N)c2)[nH][n-]1 ZINC000542690980 855455937 /nfs/dbraw/zinc/45/59/37/855455937.db2.gz NBPHVDHZFBPLDL-UHFFFAOYSA-N -1 3 387.226 3.938 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000018016117 855633655 /nfs/dbraw/zinc/63/36/55/855633655.db2.gz SHVGPIMMMYDWAX-LBPRGKRZSA-N -1 3 391.393 3.692 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000486010957 857331367 /nfs/dbraw/zinc/33/13/67/857331367.db2.gz AATAXHOXLRTEEB-UHFFFAOYSA-N -1 3 395.850 3.686 20 30 GHEDHM N#Cc1cccc(C2(NCc3cccc([O-])c3Br)CCOCC2)c1 ZINC000594981008 858356481 /nfs/dbraw/zinc/35/64/81/858356481.db2.gz SCNCGLMOHPKHHK-UHFFFAOYSA-N -1 3 387.277 3.822 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC000593306259 859354353 /nfs/dbraw/zinc/35/43/53/859354353.db2.gz BFMOMFFNUSDPIG-GOSISDBHSA-N -1 3 395.478 3.971 20 30 GHEDHM COc1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000727058893 859911075 /nfs/dbraw/zinc/91/10/75/859911075.db2.gz YRMSSVXDQJAWSY-UHFFFAOYSA-N -1 3 381.457 3.942 20 30 GHEDHM C=CC[C@H](CC)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000281807082 863400477 /nfs/dbraw/zinc/40/04/77/863400477.db2.gz UIMFGMOQWJPJCT-NSHDSACASA-N -1 3 396.228 3.630 20 30 GHEDHM C=C(C)COc1cc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)ccc1OC ZINC000671162812 864685422 /nfs/dbraw/zinc/68/54/22/864685422.db2.gz DAJWFJJXZDQQLB-JOCHJYFZSA-N -1 3 385.435 3.805 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)CSc2ccccc2-c2nnn[n-]2)cc1C ZINC000737348306 865666864 /nfs/dbraw/zinc/66/68/64/865666864.db2.gz WKRNAZQTORGFSA-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM Cc1ccc(N(CCC#N)C(=O)CSc2ccccc2-c2nn[n-]n2)cc1C ZINC000737348306 865666870 /nfs/dbraw/zinc/66/68/70/865666870.db2.gz WKRNAZQTORGFSA-UHFFFAOYSA-N -1 3 392.488 3.523 20 30 GHEDHM CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000455979303 865942347 /nfs/dbraw/zinc/94/23/47/865942347.db2.gz BGPBJLVSRPIJTL-UHFFFAOYSA-N -1 3 387.277 3.911 20 30 GHEDHM N#Cc1ccccc1N1CCC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000857089404 882004322 /nfs/dbraw/zinc/00/43/22/882004322.db2.gz URTBQRANDQDUJZ-UHFFFAOYSA-N -1 3 389.377 3.681 20 30 GHEDHM C=CCN(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000154147799 867698840 /nfs/dbraw/zinc/69/88/40/867698840.db2.gz UIMMUVGJSKEKHK-UHFFFAOYSA-N -1 3 386.517 3.979 20 30 GHEDHM C=CCOc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1OC ZINC000744216531 868672770 /nfs/dbraw/zinc/67/27/70/868672770.db2.gz JPUIWCGGNGFQHJ-UHFFFAOYSA-N -1 3 392.411 3.950 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000462443781 869439426 /nfs/dbraw/zinc/43/94/26/869439426.db2.gz ZSWBMCHPDISLAV-JTQLQIEISA-N -1 3 385.308 3.730 20 30 GHEDHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Br)c1 ZINC001192819308 870694896 /nfs/dbraw/zinc/69/48/96/870694896.db2.gz YWGQSJMKICVVQX-UHFFFAOYSA-N -1 3 395.278 3.693 20 30 GHEDHM C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000022409150 870767750 /nfs/dbraw/zinc/76/77/50/870767750.db2.gz MLNFYXIQSRMLFE-UHFFFAOYSA-N -1 3 394.427 3.860 20 30 GHEDHM CCCCCCC[C@H](C)NC(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001192939071 870799027 /nfs/dbraw/zinc/79/90/27/870799027.db2.gz WRZJRXZFGUZAIC-HOTGVXAUSA-N -1 3 383.533 3.961 20 30 GHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000443338183 871273719 /nfs/dbraw/zinc/27/37/19/871273719.db2.gz DZOIEQXEHSFTGY-ZYHUDNBSSA-N -1 3 380.819 3.859 20 30 GHEDHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1cc(F)c(F)c(F)c1 ZINC000447275135 871343115 /nfs/dbraw/zinc/34/31/15/871343115.db2.gz QYWPTNJVZWDJTF-UHFFFAOYSA-N -1 3 389.248 3.784 20 30 GHEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000443339052 871349678 /nfs/dbraw/zinc/34/96/78/871349678.db2.gz GHAPLUKZOGCQOC-ZWNOBZJWSA-N -1 3 380.819 3.859 20 30 GHEDHM N#Cc1cc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c([N+](=O)[O-])c1 ZINC000746486663 872829860 /nfs/dbraw/zinc/82/98/60/872829860.db2.gz RXJJPBVZBGYEQQ-UHFFFAOYSA-N -1 3 381.131 3.934 20 30 GHEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000775745815 873419680 /nfs/dbraw/zinc/41/96/80/873419680.db2.gz BWRDLZUQUHVSCO-SNVBAGLBSA-N -1 3 380.279 3.620 20 30 GHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Br)cc(C#N)c2)c(C)c1 ZINC001196881608 873425993 /nfs/dbraw/zinc/42/59/93/873425993.db2.gz YUJUQUGPOPCEHE-UHFFFAOYSA-N -1 3 395.278 3.747 20 30 GHEDHM N#CC(=C([O-])c1ccc(N2CCOCC2)c(F)c1)c1nc2cc(F)ccc2s1 ZINC000770124622 874479091 /nfs/dbraw/zinc/47/90/91/874479091.db2.gz LLTSABIEPWZLNO-CQSZACIVSA-N -1 3 399.422 3.901 20 30 GHEDHM C=CCCCCNC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000771555463 875332340 /nfs/dbraw/zinc/33/23/40/875332340.db2.gz GDDXFCQRODLNBC-UHFFFAOYSA-N -1 3 398.459 3.748 20 30 GHEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2)nc2ccccc21 ZINC000123032070 882956702 /nfs/dbraw/zinc/95/67/02/882956702.db2.gz MBEMQDPLEQDJJV-INIZCTEOSA-N -1 3 375.819 3.902 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCCCC3)c2)c1 ZINC000772643834 876060298 /nfs/dbraw/zinc/06/02/98/876060298.db2.gz FZSNSXBDSLXLPU-LJQANCHMSA-N -1 3 393.443 3.763 20 30 GHEDHM N#CC(C(=O)CCC(=O)c1c(F)cccc1F)=C([O-])C1(c2ccccc2)CC1 ZINC000851107464 877414516 /nfs/dbraw/zinc/41/45/16/877414516.db2.gz IVOBGXBIKULCKX-HNNXBMFYSA-N -1 3 381.378 3.937 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(=O)c1c(F)cccc1F ZINC000851107464 877414535 /nfs/dbraw/zinc/41/45/35/877414535.db2.gz IVOBGXBIKULCKX-HNNXBMFYSA-N -1 3 381.378 3.937 20 30 GHEDHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000787847095 877666579 /nfs/dbraw/zinc/66/65/79/877666579.db2.gz CQGVZOWSZJZSPV-INIZCTEOSA-N -1 3 398.434 3.733 20 30 GHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000537748773 878204492 /nfs/dbraw/zinc/20/44/92/878204492.db2.gz SGLTZNGFNFGEIU-UHFFFAOYSA-N -1 3 379.345 3.960 20 30 GHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1[O-] ZINC000788674509 878234625 /nfs/dbraw/zinc/23/46/25/878234625.db2.gz KPDKDKBHMNBSJJ-HMAUVEFUSA-N -1 3 380.275 3.593 20 30 GHEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000451732698 878429786 /nfs/dbraw/zinc/42/97/86/878429786.db2.gz HAOLOTMMZLVNRJ-FZMZJTMJSA-N -1 3 381.910 3.824 20 30 GHEDHM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)[nH]n2)cc1C ZINC000531257774 879446894 /nfs/dbraw/zinc/44/68/94/879446894.db2.gz XFYFLLGUQCXCOG-UHFFFAOYSA-N -1 3 384.436 3.814 20 30 GHEDHM C=C(C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000452721157 879953586 /nfs/dbraw/zinc/95/35/86/879953586.db2.gz GGXQOUVHDNUXNE-UHFFFAOYSA-N -1 3 388.489 3.500 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Oc2ccccc2C(C)C)ccc1F ZINC000914461737 883281840 /nfs/dbraw/zinc/28/18/40/883281840.db2.gz QNQQSOQXCYMPEM-UHFFFAOYSA-N -1 3 377.437 3.633 20 30 GHEDHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3ccc(C#N)cc3)[n-]c(=O)c21 ZINC000609813803 883716128 /nfs/dbraw/zinc/71/61/28/883716128.db2.gz SVVIBRFBYXMMCA-NSHDSACASA-N -1 3 380.429 3.550 20 30 GHEDHM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1nc3ccccc3n1C(F)F)OC2=O ZINC000860478301 884720797 /nfs/dbraw/zinc/72/07/97/884720797.db2.gz VBJNXTRFKCTREP-UUFIDDLGSA-N -1 3 387.386 3.730 20 30 GHEDHM C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)C1 ZINC000862557929 886463382 /nfs/dbraw/zinc/46/33/82/886463382.db2.gz KZBHFDQIFNWLLT-SFHVURJKSA-N -1 3 396.512 3.590 20 30 GHEDHM CC(C)[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC001184235713 913093178 /nfs/dbraw/zinc/09/31/78/913093178.db2.gz NGONIMLFOBQOHK-PBFPGSCMSA-N -1 3 389.323 3.845 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001184305323 913117098 /nfs/dbraw/zinc/11/70/98/913117098.db2.gz GJNZPUAVUDDPDY-MRXNPFEDSA-N -1 3 397.313 3.852 20 30 GHEDHM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000130436411 888326864 /nfs/dbraw/zinc/32/68/64/888326864.db2.gz MACJGTXZPVJQFC-MRXNPFEDSA-N -1 3 393.226 3.972 20 30 GHEDHM C=CCOc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000916320751 888922566 /nfs/dbraw/zinc/92/25/66/888922566.db2.gz ISTWIXBHNQFBBD-GOSISDBHSA-N -1 3 394.456 3.526 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000811184551 889271402 /nfs/dbraw/zinc/27/14/02/889271402.db2.gz QQWHSZOVJBJIBD-INIZCTEOSA-N -1 3 391.210 3.533 20 30 GHEDHM Cc1ccc([C@@H](C/N=C/c2cc(Br)ccc2[O-])N2CCOCC2)o1 ZINC000017701024 889989653 /nfs/dbraw/zinc/98/96/53/889989653.db2.gz XPGGYWUWKYZHMI-MBTVCVBTSA-N -1 3 393.281 3.549 20 30 GHEDHM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000870136989 890226220 /nfs/dbraw/zinc/22/62/20/890226220.db2.gz UIZQLDITAYLGCB-RISCZKNCSA-N -1 3 389.864 3.570 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1-c1ccc(F)cc1 ZINC000916909643 890407932 /nfs/dbraw/zinc/40/79/32/890407932.db2.gz NNXHUSRPVATGHI-OAHLLOKOSA-N -1 3 396.809 3.934 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1-c1ccccc1 ZINC000916912607 890414490 /nfs/dbraw/zinc/41/44/90/890414490.db2.gz RPEUNHLPKSJCHB-OAHLLOKOSA-N -1 3 378.819 3.795 20 30 GHEDHM C=C(C)[C@H](CC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)OCC ZINC000871316206 890751591 /nfs/dbraw/zinc/75/15/91/890751591.db2.gz RWQDSLYZEUDLFA-YOEHRIQHSA-N -1 3 398.425 3.557 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(CC)cccc2CC)ccc1F ZINC000105866313 890824218 /nfs/dbraw/zinc/82/42/18/890824218.db2.gz LDCPIWWRIJXQEF-UHFFFAOYSA-N -1 3 390.480 3.667 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000917509035 892107839 /nfs/dbraw/zinc/10/78/39/892107839.db2.gz IZCRSADITQXSIX-CQSZACIVSA-N -1 3 375.409 3.664 20 30 GHEDHM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2cc(F)cc(F)c2)nc1 ZINC001185153594 913720021 /nfs/dbraw/zinc/72/00/21/913720021.db2.gz WKWBIOVFMSICRF-UHFFFAOYSA-N -1 3 385.395 3.840 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cccnc2Cl)cc1 ZINC000814829999 893223051 /nfs/dbraw/zinc/22/30/51/893223051.db2.gz SDJDIUCPFZYDET-UHFFFAOYSA-N -1 3 386.864 3.982 20 30 GHEDHM C=C1CCC(C(=O)Nc2nc3cc(C(=O)OC)cc(Br)c3[n-]2)CC1 ZINC001134978286 893762391 /nfs/dbraw/zinc/76/23/91/893762391.db2.gz MDIGFAMTHGXBCB-UHFFFAOYSA-N -1 3 392.253 3.797 20 30 GHEDHM Cc1cc(C#N)cnc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000815907254 894282320 /nfs/dbraw/zinc/28/23/20/894282320.db2.gz WPMHNSZNDSZLNG-AWEZNQCLSA-N -1 3 386.383 3.538 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1OC(C)C ZINC000826215090 896357199 /nfs/dbraw/zinc/35/71/99/896357199.db2.gz GLNNJCAAWSOMTN-CSKARUKUSA-N -1 3 382.395 3.698 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1OC(C)C ZINC000826215090 896357211 /nfs/dbraw/zinc/35/72/11/896357211.db2.gz GLNNJCAAWSOMTN-CSKARUKUSA-N -1 3 382.395 3.698 20 30 GHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000041518926 896367241 /nfs/dbraw/zinc/36/72/41/896367241.db2.gz XZIUHHDBEISWRK-MRXNPFEDSA-N -1 3 395.444 3.711 20 30 GHEDHM Cc1cc(C#N)ccc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826257103 896744971 /nfs/dbraw/zinc/74/49/71/896744971.db2.gz NLRAUZYQTHYHMB-UHFFFAOYSA-N -1 3 394.438 3.644 20 30 GHEDHM Cc1cc(C#N)ccc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826257103 896744984 /nfs/dbraw/zinc/74/49/84/896744984.db2.gz NLRAUZYQTHYHMB-UHFFFAOYSA-N -1 3 394.438 3.644 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000819743139 896967543 /nfs/dbraw/zinc/96/75/43/896967543.db2.gz DENTWUTUABEPFE-RBUKOAKNSA-N -1 3 380.496 3.533 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000819743139 896967551 /nfs/dbraw/zinc/96/75/51/896967551.db2.gz DENTWUTUABEPFE-RBUKOAKNSA-N -1 3 380.496 3.533 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)nc(Cl)c2)cc1Cl ZINC000778604558 897351481 /nfs/dbraw/zinc/35/14/81/897351481.db2.gz CJFJGLHHYIAELO-LBPRGKRZSA-N -1 3 378.215 3.667 20 30 GHEDHM N#CCCN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)CC1CC1 ZINC000826381605 898899161 /nfs/dbraw/zinc/89/91/61/898899161.db2.gz RORIOAALGQBADF-UHFFFAOYSA-N -1 3 388.475 3.571 20 30 GHEDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000778764311 899490365 /nfs/dbraw/zinc/49/03/65/899490365.db2.gz LNWDUXBIKCAVKY-AWEZNQCLSA-N -1 3 383.404 3.729 20 30 GHEDHM O=C(C=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400726 899746887 /nfs/dbraw/zinc/74/68/87/899746887.db2.gz GKTVFKZCKGTMLE-BAQGIRSFSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400726 899746894 /nfs/dbraw/zinc/74/68/94/899746894.db2.gz GKTVFKZCKGTMLE-BAQGIRSFSA-N -1 3 392.312 3.843 20 30 GHEDHM N#CCCCn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000573551089 900553344 /nfs/dbraw/zinc/55/33/44/900553344.db2.gz RGHIGOKNXRFDQC-QGZVFWFLSA-N -1 3 386.459 3.753 20 30 GHEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000845843659 902460569 /nfs/dbraw/zinc/46/05/69/902460569.db2.gz DNJSVDBHLOQVRS-GUYCJALGSA-N -1 3 380.375 3.847 20 30 GHEDHM C[C@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000845843659 902460573 /nfs/dbraw/zinc/46/05/73/902460573.db2.gz DNJSVDBHLOQVRS-GUYCJALGSA-N -1 3 380.375 3.847 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1ccc(-c2ncc[nH]2)cc1 ZINC001148719147 904170271 /nfs/dbraw/zinc/17/02/71/904170271.db2.gz VGMXAKXNXFCFMA-UHFFFAOYSA-N -1 3 390.321 3.541 20 30 GHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2c(c1)Cc1ccc(Br)cc1C2 ZINC001171366352 904357043 /nfs/dbraw/zinc/35/70/43/904357043.db2.gz WYPUAPZOPSNQIS-VOJFVSQTSA-N -1 3 387.277 3.592 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(O[C@@H](C)CC)c1 ZINC000777300978 905671280 /nfs/dbraw/zinc/67/12/80/905671280.db2.gz BJVVAPODVMSPPF-HOCLYGCPSA-N -1 3 381.432 3.619 20 30 GHEDHM N#Cc1ccc(N2CCC[C@H](/N=C/c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000779708422 908225582 /nfs/dbraw/zinc/22/55/82/908225582.db2.gz WPPYDDGNGUCLFB-QQZPLFJDSA-N -1 3 398.260 3.641 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000193403375 908335137 /nfs/dbraw/zinc/33/51/37/908335137.db2.gz CEMFYCHCDSQMIN-AWEZNQCLSA-N -1 3 382.782 3.626 20 30 GHEDHM C[C@]1(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)Cc2ccccc2C(=O)O1 ZINC000193769735 908695036 /nfs/dbraw/zinc/69/50/36/908695036.db2.gz AMJMYICBCZLTSU-SPLOXXLWSA-N -1 3 395.365 3.779 20 30 GHEDHM CCCCCCCC[C@H](C)CC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001178039532 908881943 /nfs/dbraw/zinc/88/19/43/908881943.db2.gz XKADZVJTVGKYPR-KRWDZBQOSA-N -1 3 376.545 3.916 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000266865901 909323635 /nfs/dbraw/zinc/32/36/35/909323635.db2.gz IOPQQUZABXXNST-MJGOQNOKSA-N -1 3 377.488 3.688 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C)c(Cl)c2)ccc1F ZINC000303539285 914912408 /nfs/dbraw/zinc/91/24/08/914912408.db2.gz HRABZOBIXIGRIN-UHFFFAOYSA-N -1 3 396.871 3.528 20 30 GHEDHM C[C@H](Nc1ccc(C#N)c(Br)c1F)c1nc(C(F)(F)F)n[n-]1 ZINC001187733020 915460565 /nfs/dbraw/zinc/46/05/65/915460565.db2.gz NVWJQFDAFPHLCZ-YFKPBYRVSA-N -1 3 378.127 3.770 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(Br)c2)c(F)c1F ZINC001188684964 916109519 /nfs/dbraw/zinc/10/95/19/916109519.db2.gz VYYXWROTQZNRHV-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)c1 ZINC001190616509 917423148 /nfs/dbraw/zinc/42/31/48/917423148.db2.gz UEOVNINBTRFQKC-UHFFFAOYSA-N -1 3 379.722 3.565 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(-c2ccsc2)n1 ZINC000007319602 919050436 /nfs/dbraw/zinc/05/04/36/919050436.db2.gz QONMHZHHZUKWDO-UHFFFAOYSA-N -1 3 399.497 3.724 20 30 GHEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ccc(C#N)cc3)c2)cc1 ZINC000115520623 919454823 /nfs/dbraw/zinc/45/48/23/919454823.db2.gz GQXSZLBUEBIKBI-UHFFFAOYSA-N -1 3 393.468 3.980 20 30 GHEDHM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369674 921046902 /nfs/dbraw/zinc/04/69/02/921046902.db2.gz DSWMDIHXMIAKHV-GOSISDBHSA-N -1 3 386.517 3.895 20 30 GHEDHM COc1ccc2c(c1)OC[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C2 ZINC000901378172 921055182 /nfs/dbraw/zinc/05/51/82/921055182.db2.gz IOWABIPBZKTGAS-CYBMUJFWSA-N -1 3 382.243 3.971 20 30 GHEDHM Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1S(C)(=O)=O ZINC000901379872 921057308 /nfs/dbraw/zinc/05/73/08/921057308.db2.gz HDENKSHENSJPRH-UHFFFAOYSA-N -1 3 388.272 3.737 20 30 GHEDHM N#Cc1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000748788147 923829037 /nfs/dbraw/zinc/82/90/37/923829037.db2.gz NXYYFDPIAITDFU-UHFFFAOYSA-N -1 3 382.470 3.867 20 30 GHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cccc(Cl)n1 ZINC000780306505 927835438 /nfs/dbraw/zinc/83/54/38/927835438.db2.gz YCRSEPFTPGNPJL-SNVBAGLBSA-N -1 3 378.215 3.667 20 30 GHEDHM COc1ccc2oc([C@H](C)[N-]S(=O)(=O)c3cccc(F)c3C#N)c(C)c2c1 ZINC000751076845 928016000 /nfs/dbraw/zinc/01/60/00/928016000.db2.gz XXFNPPZOXKJJKV-LBPRGKRZSA-N -1 3 388.420 3.800 20 30 GHEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000509726159 928474297 /nfs/dbraw/zinc/47/42/97/928474297.db2.gz DWRSUUNOQOPQMH-UHFFFAOYSA-N -1 3 388.798 3.751 20 30 GHEDHM Cc1ncc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(=O)[n-]1 ZINC000544262830 928994198 /nfs/dbraw/zinc/99/41/98/928994198.db2.gz QHJUPORTVMKWLN-UHFFFAOYSA-N -1 3 394.818 3.738 20 30 GHEDHM C/C(C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)=C/c1ccc(Cl)cc1 ZINC000753697857 929487272 /nfs/dbraw/zinc/48/72/72/929487272.db2.gz QQDCIPMILPBWLI-ZDHPMUAHSA-N -1 3 393.852 3.757 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1Br ZINC000782578161 931275397 /nfs/dbraw/zinc/27/53/97/931275397.db2.gz WAJWKLNHLZRLMI-LBPRGKRZSA-N -1 3 382.217 3.891 20 30 GHEDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000928970089 933182476 /nfs/dbraw/zinc/18/24/76/933182476.db2.gz XUDVVJIPFGTVGM-SNVBAGLBSA-N -1 3 398.221 3.953 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001121607232 934713812 /nfs/dbraw/zinc/71/38/12/934713812.db2.gz KANYPYLOVCAIQL-QGZVFWFLSA-N -1 3 396.882 3.930 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccccc1C ZINC001122394525 934861096 /nfs/dbraw/zinc/86/10/96/934861096.db2.gz CCYFRNHLFXYRFB-LJQANCHMSA-N -1 3 390.491 3.975 20 30 GHEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@@H](C)CC2 ZINC001573290168 946897470 /nfs/dbraw/zinc/89/74/70/946897470.db2.gz FZSUEJOGUVOOTO-STQMWFEESA-N -1 3 391.500 3.777 20 30 GHEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@@H](C)CC2 ZINC001573290168 946897486 /nfs/dbraw/zinc/89/74/86/946897486.db2.gz FZSUEJOGUVOOTO-STQMWFEESA-N -1 3 391.500 3.777 20 30 GHEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001573290012 946898898 /nfs/dbraw/zinc/89/88/98/946898898.db2.gz SSGKBGMOOMZIOX-UHFFFAOYSA-N -1 3 392.394 3.539 20 30 GHEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001573290012 946898914 /nfs/dbraw/zinc/89/89/14/946898914.db2.gz SSGKBGMOOMZIOX-UHFFFAOYSA-N -1 3 392.394 3.539 20 30 GHEDHM C#Cc1cccc(N(CC)C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC001573290414 946905103 /nfs/dbraw/zinc/90/51/03/946905103.db2.gz JOAPYBQDNXBADD-UHFFFAOYSA-N -1 3 385.471 3.713 20 30 GHEDHM C#Cc1cccc(N(CC)C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC001573290414 946905108 /nfs/dbraw/zinc/90/51/08/946905108.db2.gz JOAPYBQDNXBADD-UHFFFAOYSA-N -1 3 385.471 3.713 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)C[C@@H](C)CC ZINC001573334286 947452752 /nfs/dbraw/zinc/45/27/52/947452752.db2.gz CFXOHIUTYUDJDS-INIZCTEOSA-N -1 3 394.527 3.964 20 30 GHEDHM C=CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)C[C@@H](C)CC ZINC001573334286 947452755 /nfs/dbraw/zinc/45/27/55/947452755.db2.gz CFXOHIUTYUDJDS-INIZCTEOSA-N -1 3 394.527 3.964 20 30 GHEDHM C=CCN(CC=C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCCC(C)C ZINC001573341940 947535890 /nfs/dbraw/zinc/53/58/90/947535890.db2.gz RLWHAVIDDBDOLE-UHFFFAOYSA-N -1 3 392.511 3.740 20 30 GHEDHM C=CCN(CC=C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCCC(C)C ZINC001573341940 947535899 /nfs/dbraw/zinc/53/58/99/947535899.db2.gz RLWHAVIDDBDOLE-UHFFFAOYSA-N -1 3 392.511 3.740 20 30 GHEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)C)C2 ZINC001573348309 947580928 /nfs/dbraw/zinc/58/09/28/947580928.db2.gz PAMUEMJOWPFAPN-CYBMUJFWSA-N -1 3 389.525 3.610 20 30 GHEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)C)C2 ZINC001573348309 947580939 /nfs/dbraw/zinc/58/09/39/947580939.db2.gz PAMUEMJOWPFAPN-CYBMUJFWSA-N -1 3 389.525 3.610 20 30 GHEDHM N#CC(=C([O-])c1ccc(SCc2cn3ccccc3n2)cc1)c1ccncn1 ZINC000545445877 1015877806 /nfs/dbraw/zinc/87/78/06/1015877806.db2.gz OGRXPZWBERTNKV-SFHVURJKSA-N -1 3 385.452 3.907 20 30 GHEDHM Cc1cc(N2CCCC2)nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001155906750 1032781720 /nfs/dbraw/zinc/78/17/20/1032781720.db2.gz FATHSCRBGHBFHH-UHFFFAOYSA-N -1 3 381.358 3.532 20 30 GHEDHM CCOC(=O)[C@H]1CC[C@H](Oc2ccccc2N=CC=Nc2ccccc2[O-])CO1 ZINC001228127429 1032798186 /nfs/dbraw/zinc/79/81/86/1032798186.db2.gz RVJJKHZONZJUEV-HRAATJIYSA-N -1 3 396.443 3.987 20 30 GHEDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000575171950 1019929196 /nfs/dbraw/zinc/92/91/96/1019929196.db2.gz PXBKTCOELRRRAI-UHFFFAOYSA-N -1 3 395.440 3.693 20 30 GHEDHM [O-]c1ccc(C=NN2C(=S)N=NC2c2cccc(Br)c2)cc1F ZINC000755604455 1023310410 /nfs/dbraw/zinc/31/04/10/1023310410.db2.gz OJFQPVQPQGRQAC-UHFFFAOYSA-N -1 3 393.241 3.723 20 30 GHEDHM C#Cc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC001141043091 1023371944 /nfs/dbraw/zinc/37/19/44/1023371944.db2.gz NRXJHPKFBULHNG-QHCPKHFHSA-N -1 3 398.462 3.551 20 30 GHEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001228958985 1033200524 /nfs/dbraw/zinc/20/05/24/1033200524.db2.gz PWSFRDTWHKSWHX-IFXJQAMLSA-N -1 3 388.464 3.856 20 30 GHEDHM CCOc1cc(C=NNC(=S)NCCc2cccs2)cc(Cl)c1[O-] ZINC000839412991 1025896902 /nfs/dbraw/zinc/89/69/02/1025896902.db2.gz ZFMNDYQKOQFPTQ-UHFFFAOYSA-N -1 3 383.926 3.547 20 30 GHEDHM Cn1ccc2nc(Cl)nc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c21 ZINC001163765139 1026308271 /nfs/dbraw/zinc/30/82/71/1026308271.db2.gz MGZYQQOYAYEYST-UHFFFAOYSA-N -1 3 385.733 3.768 20 30 GHEDHM N#Cc1ccc(N2CCCN(Cc3c(Cl)cc([O-])cc3Cl)CC2)nc1 ZINC001142114864 1028155518 /nfs/dbraw/zinc/15/55/18/1028155518.db2.gz QSMZSSGQADVSSL-UHFFFAOYSA-N -1 3 377.275 3.678 20 30 GHEDHM C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142649848 1029207666 /nfs/dbraw/zinc/20/76/66/1029207666.db2.gz LZVNUVMIFSBXMT-UYAOXDASSA-N -1 3 379.884 3.612 20 30 GHEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1OC ZINC001142905881 1029667858 /nfs/dbraw/zinc/66/78/58/1029667858.db2.gz TYBSZORLCAZCTG-CSKARUKUSA-N -1 3 399.447 3.590 20 30 GHEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1OC ZINC001142905881 1029667860 /nfs/dbraw/zinc/66/78/60/1029667860.db2.gz TYBSZORLCAZCTG-CSKARUKUSA-N -1 3 399.447 3.590 20 30 GHEDHM N#Cc1nc(N)c([N-]c2c(F)ccc(OCc3ccccc3F)c2F)nc1C#N ZINC001216515740 1029668543 /nfs/dbraw/zinc/66/85/43/1029668543.db2.gz MWGKFZCDAVOMQB-UHFFFAOYSA-N -1 3 396.332 3.542 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3cc(C)ccc3[nH]2)c(C)c1[O-] ZINC001149488099 1030191953 /nfs/dbraw/zinc/19/19/53/1030191953.db2.gz FARBYHWYXMHERG-UHFFFAOYSA-N -1 3 377.400 3.791 20 30 GHEDHM CCOC(=O)c1cnc(=O)[n-]c1O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC001225898790 1031685308 /nfs/dbraw/zinc/68/53/08/1031685308.db2.gz DQBFQDJFXLZWJY-GOSISDBHSA-N -1 3 391.383 3.795 20 30 GHEDHM C#Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(Cl)c1 ZINC001157893568 1033814073 /nfs/dbraw/zinc/81/40/73/1033814073.db2.gz MVUOHQGXVAUTLT-UHFFFAOYSA-N -1 3 383.256 3.599 20 30 GHEDHM COc1cc(O[C@H]2CCc3nccn3C2)ccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC001230165952 1033926665 /nfs/dbraw/zinc/92/66/65/1033926665.db2.gz FXJXZISUTSTONQ-JOCSGSGBSA-N -1 3 390.439 3.887 20 30 GHEDHM [O-]c1ccc(CN2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc1C(F)(F)F ZINC001231524073 1034676858 /nfs/dbraw/zinc/67/68/58/1034676858.db2.gz LUIXBAMSSBQDHB-QWHCGFSZSA-N -1 3 375.284 3.638 20 30 GHEDHM O=C(CN1CC[C@H](c2ccccc2)NC1=O)N([O-])Cc1cccc2ccccc21 ZINC001161842951 1035313587 /nfs/dbraw/zinc/31/35/87/1035313587.db2.gz VEGIQXJWZXXVNH-OAQYLSRUSA-N -1 3 389.455 3.714 20 30 GHEDHM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC001161843020 1035313880 /nfs/dbraw/zinc/31/38/80/1035313880.db2.gz XOGRIMTZPUUWSQ-SFHVURJKSA-N -1 3 382.460 3.815 20 30 GHEDHM N#Cc1ccc(NC(=S)Nc2ccc([O-])c(I)c2)cc1 ZINC001245913611 1037053945 /nfs/dbraw/zinc/05/39/45/1037053945.db2.gz HWEWBIWKBFFJMG-UHFFFAOYSA-N -1 3 395.225 3.677 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001233798855 1039623619 /nfs/dbraw/zinc/62/36/19/1039623619.db2.gz BCOKAFVJQGCYNY-ODSDJFLOSA-N -1 3 376.453 3.672 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001233798948 1039623797 /nfs/dbraw/zinc/62/37/97/1039623797.db2.gz DFHYWUASQSBSDC-UPKDPHJHSA-N -1 3 376.453 3.813 20 30 GHEDHM C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236685338 1041831813 /nfs/dbraw/zinc/83/18/13/1041831813.db2.gz UHSPVJGOSWXIRR-MOPGFXCFSA-N -1 3 396.325 3.728 20 30 GHEDHM C=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(Cl)nc(Cl)c1[O-])CC2 ZINC001237523895 1042249728 /nfs/dbraw/zinc/24/97/28/1042249728.db2.gz WBEFWCYUYJFLEK-GOSISDBHSA-N -1 3 384.307 3.627 20 30 GHEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC001259703028 1045269852 /nfs/dbraw/zinc/26/98/52/1045269852.db2.gz OZTIEMPCFMVVBA-MRXNPFEDSA-N -1 3 397.500 3.875 20 30 GHEDHM C=CCS(=O)(=O)[N-]c1cc(Br)ccc1NC(=O)OC(C)(C)C ZINC001259932257 1045335117 /nfs/dbraw/zinc/33/51/17/1045335117.db2.gz XBEBWYGPSXLCQS-UHFFFAOYSA-N -1 3 391.287 3.724 20 30 GHEDHM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC001260012206 1045355083 /nfs/dbraw/zinc/35/50/83/1045355083.db2.gz DZRIDFCAGKCCRD-UHFFFAOYSA-N -1 3 388.246 3.670 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260045563 1045370867 /nfs/dbraw/zinc/37/08/67/1045370867.db2.gz YMBXWFDVXJMTLL-UHFFFAOYSA-N -1 3 390.436 3.595 20 30 GHEDHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]/C=C/C(=O)C(F)(F)F ZINC001260346491 1045471203 /nfs/dbraw/zinc/47/12/03/1045471203.db2.gz FGAVMUQOPMYHER-SNAWJCMRSA-N -1 3 383.800 3.787 20 30 GHEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC001260828283 1045696375 /nfs/dbraw/zinc/69/63/75/1045696375.db2.gz ZYELPDFCEYAWNK-UHFFFAOYSA-N -1 3 378.957 3.906 20 30 GHEDHM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001260888268 1045742096 /nfs/dbraw/zinc/74/20/96/1045742096.db2.gz RVZWZYCTTQHZIT-LBPRGKRZSA-N -1 3 399.232 3.829 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)o1 ZINC001260946401 1045782763 /nfs/dbraw/zinc/78/27/63/1045782763.db2.gz NVQMCGPNAHBTQR-UHFFFAOYSA-N -1 3 398.284 3.667 20 30 GHEDHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)o1)c1ccc(F)cc1C(F)(F)F ZINC001261013838 1045836503 /nfs/dbraw/zinc/83/65/03/1045836503.db2.gz DZRFKGMOIHVLFW-UHFFFAOYSA-N -1 3 391.264 3.935 20 30 GHEDHM CCOc1nnc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[n-]1 ZINC001302689735 1047043996 /nfs/dbraw/zinc/04/39/96/1047043996.db2.gz BGKRHLIINZGKHJ-UHFFFAOYSA-N -1 3 383.795 3.773 20 30 GHEDHM CCOc1nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n[n-]1 ZINC001302689735 1047044004 /nfs/dbraw/zinc/04/40/04/1047044004.db2.gz BGKRHLIINZGKHJ-UHFFFAOYSA-N -1 3 383.795 3.773 20 30 GHEDHM CCOc1n[n-]c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 ZINC001302689735 1047044018 /nfs/dbraw/zinc/04/40/18/1047044018.db2.gz BGKRHLIINZGKHJ-UHFFFAOYSA-N -1 3 383.795 3.773 20 30 GHEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C#N)c1ccco1 ZINC001463300055 1070972897 /nfs/dbraw/zinc/97/28/97/1070972897.db2.gz ABALVLGEUIZYLE-FQEVSTJZSA-N -1 3 382.441 3.536 20 30 GHEDHM O=C([C@H]1CCCN1c1ncnc2sccc21)N([O-])Cc1ccccc1Cl ZINC001306893909 1048948560 /nfs/dbraw/zinc/94/85/60/1048948560.db2.gz BXVOIYDKQXCHLD-OAHLLOKOSA-N -1 3 388.880 3.732 20 30 GHEDHM O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N([O-])Cc1ccccc1Cl ZINC001306894415 1048948602 /nfs/dbraw/zinc/94/86/02/1048948602.db2.gz LCCIDAWJSOSUIZ-UHFFFAOYSA-N -1 3 387.789 3.852 20 30 GHEDHM O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N([O-])CCCCc1ccccc1 ZINC001306896088 1048949632 /nfs/dbraw/zinc/94/96/32/1048949632.db2.gz JLLMAIPOXOCBEP-IBGZPJMESA-N -1 3 386.879 3.934 20 30 GHEDHM C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1cccc(C#N)c1 ZINC001288804602 1049232916 /nfs/dbraw/zinc/23/29/16/1049232916.db2.gz VFYCYYCFTONQHC-JTQLQIEISA-N -1 3 380.192 3.685 20 30 GHEDHM C=CCC1(C(=O)Nc2nc3cc(C(=O)OC)cc(Br)c3[n-]2)CCC1 ZINC001289667509 1049582389 /nfs/dbraw/zinc/58/23/89/1049582389.db2.gz FFTKLYSYKVTJEX-UHFFFAOYSA-N -1 3 392.253 3.797 20 30 GHEDHM COc1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)ccc1C#N ZINC001328043060 1050370474 /nfs/dbraw/zinc/37/04/74/1050370474.db2.gz MYYCWZFFNSJWFK-SNVBAGLBSA-N -1 3 383.429 3.812 20 30 GHEDHM N#CC(=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1)c1nccn1Cc1ccccc1 ZINC001343273206 1053668928 /nfs/dbraw/zinc/66/89/28/1053668928.db2.gz OFJKJKVLVXQIGU-GOSISDBHSA-N -1 3 385.402 3.951 20 30 GHEDHM N#CC(=C([O-])c1ccn(-c2ccncc2)n1)c1nc2ccccc2n1C(F)F ZINC001343377790 1053736526 /nfs/dbraw/zinc/73/65/26/1053736526.db2.gz MEIHAAJUYFAVTA-ZDUSSCGKSA-N -1 3 378.342 3.502 20 30 GHEDHM CCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC001343509651 1053827371 /nfs/dbraw/zinc/82/73/71/1053827371.db2.gz LVCHSBMFSPGIOP-GFCCVEGCSA-N -1 3 379.247 3.870 20 30 GHEDHM COc1ccc(-c2cc(C[N-]C(=O)C(F)(F)c3ccccc3C#N)on2)cc1 ZINC001300559960 1056475688 /nfs/dbraw/zinc/47/56/88/1056475688.db2.gz FHNJPAWVOJXSJR-UHFFFAOYSA-N -1 3 383.354 3.630 20 30 GHEDHM CC(=O)c1cccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1[O-] ZINC000848073459 1056553232 /nfs/dbraw/zinc/55/32/32/1056553232.db2.gz ZBIFIBMJMPJFTE-MRXNPFEDSA-N -1 3 389.452 3.511 20 30 GHEDHM COCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC001324366064 1057120917 /nfs/dbraw/zinc/12/09/17/1057120917.db2.gz GGNVAEONCOLNLU-OAHLLOKOSA-N -1 3 399.299 3.810 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(c2ccccc2)CC1 ZINC001355958806 1057333814 /nfs/dbraw/zinc/33/38/14/1057333814.db2.gz UFYOFRWBNZONST-UHFFFAOYSA-N -1 3 390.491 3.709 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](C4CCOCC4)C3)n2C)c1[O-] ZINC001338686866 1058732024 /nfs/dbraw/zinc/73/20/24/1058732024.db2.gz IKOQKJCOKAEBFC-GOSISDBHSA-N -1 3 382.508 3.559 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccsc2[C@H]1C ZINC001341740617 1060851366 /nfs/dbraw/zinc/85/13/66/1060851366.db2.gz WCYLZIAMGWGBFY-GFCCVEGCSA-N -1 3 382.493 3.510 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCOC)c1[O-] ZINC001341795247 1060900791 /nfs/dbraw/zinc/90/07/91/1060900791.db2.gz KVMRVNMXWZGCBG-UHFFFAOYSA-N -1 3 395.507 3.546 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001341841516 1060918691 /nfs/dbraw/zinc/91/86/91/1060918691.db2.gz ZXSAASXJDGXHDK-UHFFFAOYSA-N -1 3 394.454 3.633 20 30 GHEDHM C=CC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001452996751 1061062124 /nfs/dbraw/zinc/06/21/24/1061062124.db2.gz BJXMZEKOBKXXAV-LBPRGKRZSA-N -1 3 375.266 3.719 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001345973157 1061253623 /nfs/dbraw/zinc/25/36/23/1061253623.db2.gz GSIVXYUIRUZFRH-OAHLLOKOSA-N -1 3 382.493 3.728 20 30 GHEDHM COc1ccc(-c2noc(CCC(=O)N([O-])CCCCc3ccccc3)n2)cc1 ZINC001457992202 1063491234 /nfs/dbraw/zinc/49/12/34/1063491234.db2.gz GOLNRXKWSTUCOT-UHFFFAOYSA-N -1 3 395.459 3.919 20 30 GHEDHM O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N([O-])Cc1ccccc1Cl ZINC001458001320 1063499575 /nfs/dbraw/zinc/49/95/75/1063499575.db2.gz DQWHNCSFHVGBRX-UHFFFAOYSA-N -1 3 385.807 3.533 20 30 GHEDHM C[C@@H]1CN(c2ccc(C(=O)N([O-])Cc3cccc4ccccc43)cn2)C[C@@H](C)O1 ZINC001458015065 1063508100 /nfs/dbraw/zinc/50/81/00/1063508100.db2.gz BYRWNMFWALDKEX-IAGOWNOFSA-N -1 3 391.471 3.880 20 30 GHEDHM O=C([N-]Cc1nc(C(F)F)no1)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001469258098 1068068316 /nfs/dbraw/zinc/06/83/16/1068068316.db2.gz WZJMIXXIJUDKIE-RUDMXATFSA-N -1 3 383.223 3.792 20 30 GHEDHM CC(C)(C)OC(=O)N1CC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001472617437 1073578203 /nfs/dbraw/zinc/57/82/03/1073578203.db2.gz FQUYJOFPRAHDCL-UHFFFAOYSA-N -1 3 375.252 3.578 20 30 GHEDHM CC(C)COC(=O)N1CCC(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001472620163 1073580467 /nfs/dbraw/zinc/58/04/67/1073580467.db2.gz RKSVOMLYCIXCTF-UHFFFAOYSA-N -1 3 376.497 3.732 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001472622798 1073582470 /nfs/dbraw/zinc/58/24/70/1073582470.db2.gz PALZJDOJAVBMJF-KRWDZBQOSA-N -1 3 392.471 3.971 20 30 GHEDHM O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC001476022768 1075070536 /nfs/dbraw/zinc/07/05/36/1075070536.db2.gz HYZDJKNSYNGMRD-MRXNPFEDSA-N -1 3 391.880 3.993 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000606830014 598828851 /nfs/dbraw/zinc/82/88/51/598828851.db2.gz VKCCSZNUJKJQDY-UHFFFAOYSA-N -1 3 389.337 3.703 20 30 GHEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000606830014 598828853 /nfs/dbraw/zinc/82/88/53/598828853.db2.gz VKCCSZNUJKJQDY-UHFFFAOYSA-N -1 3 389.337 3.703 20 30 GHEDHM O=C1c2cccc(Br)c2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738292111 598862245 /nfs/dbraw/zinc/86/22/45/598862245.db2.gz WFVCNWAGGQHHRH-FMIVXFBMSA-N -1 3 397.232 3.678 20 30 GHEDHM O=C1c2cccc(Br)c2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738292111 598862246 /nfs/dbraw/zinc/86/22/46/598862246.db2.gz WFVCNWAGGQHHRH-FMIVXFBMSA-N -1 3 397.232 3.678 20 30 GHEDHM N#Cc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1-c1nnn[n-]1 ZINC000737719361 598916475 /nfs/dbraw/zinc/91/64/75/598916475.db2.gz PIULLLYSBZLRIC-UHFFFAOYSA-N -1 3 398.810 3.998 20 30 GHEDHM N#Cc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1-c1nn[n-]n1 ZINC000737719361 598916476 /nfs/dbraw/zinc/91/64/76/598916476.db2.gz PIULLLYSBZLRIC-UHFFFAOYSA-N -1 3 398.810 3.998 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1-c1nnn[n-]1 ZINC000737710509 598921893 /nfs/dbraw/zinc/92/18/93/598921893.db2.gz YUXVLEXMYWUHEJ-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1-c1nn[n-]n1 ZINC000737710509 598921895 /nfs/dbraw/zinc/92/18/95/598921895.db2.gz YUXVLEXMYWUHEJ-UHFFFAOYSA-N -1 3 382.383 3.783 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H]1CCCC[C@H]1C ZINC000735421407 598924056 /nfs/dbraw/zinc/92/40/56/598924056.db2.gz YQHUUCLLHUEBMH-SJLPKXTDSA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H]1CCCC[C@H]1C ZINC000735421407 598924058 /nfs/dbraw/zinc/92/40/58/598924058.db2.gz YQHUUCLLHUEBMH-SJLPKXTDSA-N -1 3 382.512 3.781 20 30 GHEDHM COc1ccc(C=CC(=O)c2sc(C(C)(C)C)nc2C)cc1-c1nnn[n-]1 ZINC000737080541 599154799 /nfs/dbraw/zinc/15/47/99/599154799.db2.gz CLSGSQGHXQQILW-SOFGYWHQSA-N -1 3 383.477 3.834 20 30 GHEDHM COc1ccc(C=CC(=O)c2sc(C(C)(C)C)nc2C)cc1-c1nn[n-]n1 ZINC000737080541 599154800 /nfs/dbraw/zinc/15/48/00/599154800.db2.gz CLSGSQGHXQQILW-SOFGYWHQSA-N -1 3 383.477 3.834 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737080976 599154833 /nfs/dbraw/zinc/15/48/33/599154833.db2.gz KCSWYLBFJAJBAY-KRXBUXKQSA-N -1 3 390.321 3.670 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737080976 599154835 /nfs/dbraw/zinc/15/48/35/599154835.db2.gz KCSWYLBFJAJBAY-KRXBUXKQSA-N -1 3 390.321 3.670 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737201222 599157407 /nfs/dbraw/zinc/15/74/07/599157407.db2.gz AALKAOSWTZMCMC-WCIBSUBMSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202548 599157630 /nfs/dbraw/zinc/15/76/30/599157630.db2.gz NLCWLQYSMYXOFE-YCRREMRBSA-N -1 3 392.369 3.535 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C)c2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737391367 599158353 /nfs/dbraw/zinc/15/83/53/599158353.db2.gz ALJTWTXSPBDCFE-XFXZXTDPSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1ccc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000737329587 599158694 /nfs/dbraw/zinc/15/86/94/599158694.db2.gz MXINSIQKZMDZQX-MDZDMXLPSA-N -1 3 376.445 3.627 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735446823 599195245 /nfs/dbraw/zinc/19/52/45/599195245.db2.gz GPXYYXOYVRGRPJ-DHZHZOJOSA-N -1 3 398.348 3.799 20 30 GHEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735446823 599195248 /nfs/dbraw/zinc/19/52/48/599195248.db2.gz GPXYYXOYVRGRPJ-DHZHZOJOSA-N -1 3 398.348 3.799 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)C1CCCCC1 ZINC000735421412 598303176 /nfs/dbraw/zinc/30/31/76/598303176.db2.gz YSPYORBXSIQKIJ-LJQANCHMSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC)C1CCCCC1 ZINC000735421412 598303178 /nfs/dbraw/zinc/30/31/78/598303178.db2.gz YSPYORBXSIQKIJ-LJQANCHMSA-N -1 3 382.512 3.923 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccc(-n3cccn3)cc2)ccc1-c1nnn[n-]1 ZINC000737631582 598314571 /nfs/dbraw/zinc/31/45/71/598314571.db2.gz GUINWHHXJZVDIE-UHFFFAOYSA-N -1 3 398.352 3.517 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccc(-n3cccn3)cc2)ccc1-c1nn[n-]n1 ZINC000737631582 598314573 /nfs/dbraw/zinc/31/45/73/598314573.db2.gz GUINWHHXJZVDIE-UHFFFAOYSA-N -1 3 398.352 3.517 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1cc(C)cc(C)c1 ZINC000819743375 607351672 /nfs/dbraw/zinc/35/16/72/607351672.db2.gz HOIKRJHHJFYHGQ-UHFFFAOYSA-N -1 3 375.476 3.631 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1cc(C)cc(C)c1 ZINC000819743375 607351674 /nfs/dbraw/zinc/35/16/74/607351674.db2.gz HOIKRJHHJFYHGQ-UHFFFAOYSA-N -1 3 375.476 3.631 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735505572 598495386 /nfs/dbraw/zinc/49/53/86/598495386.db2.gz RGUDVWWBNQWUAM-VNDWYCCKSA-N -1 3 390.472 3.770 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735505572 598495388 /nfs/dbraw/zinc/49/53/88/598495388.db2.gz RGUDVWWBNQWUAM-VNDWYCCKSA-N -1 3 390.472 3.770 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1cccc(Cl)c1 ZINC000737202349 598585101 /nfs/dbraw/zinc/58/51/01/598585101.db2.gz LNZAFWWQKUIZLU-CMDGGOBGSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cnn1-c1cccc(Cl)c1 ZINC000737202349 598585103 /nfs/dbraw/zinc/58/51/03/598585103.db2.gz LNZAFWWQKUIZLU-CMDGGOBGSA-N -1 3 390.834 3.910 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(CSC)c1 ZINC000735420805 598600136 /nfs/dbraw/zinc/60/01/36/598600136.db2.gz UGOAGJMBQQZIKL-UHFFFAOYSA-N -1 3 394.504 3.950 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(CSC)c1 ZINC000735420805 598600138 /nfs/dbraw/zinc/60/01/38/598600138.db2.gz UGOAGJMBQQZIKL-UHFFFAOYSA-N -1 3 394.504 3.950 20 30 GHEDHM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000735449825 598642838 /nfs/dbraw/zinc/64/28/38/598642838.db2.gz SZWJRPBQQFEOMD-UHFFFAOYSA-N -1 3 393.451 3.743 20 30 GHEDHM C=CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000735449825 598642840 /nfs/dbraw/zinc/64/28/40/598642840.db2.gz SZWJRPBQQFEOMD-UHFFFAOYSA-N -1 3 393.451 3.743 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735443019 598648110 /nfs/dbraw/zinc/64/81/10/598648110.db2.gz MJOKGPMDDVUQPH-UHFFFAOYSA-N -1 3 383.502 3.876 20 30 GHEDHM C=CCSc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735443019 598648112 /nfs/dbraw/zinc/64/81/12/598648112.db2.gz MJOKGPMDDVUQPH-UHFFFAOYSA-N -1 3 383.502 3.876 20 30 GHEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1Oc1ncccc1C#N ZINC000821737080 607371556 /nfs/dbraw/zinc/37/15/56/607371556.db2.gz RMRKSJSGNSIYJF-UHFFFAOYSA-N -1 3 399.414 3.546 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc2cc(Cl)ccc2o1 ZINC000737807071 599461902 /nfs/dbraw/zinc/46/19/02/599461902.db2.gz NNTUFPNCYIYOJA-ARJAWSKDSA-N -1 3 390.790 3.810 20 30 GHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc2cc(Cl)ccc2o1 ZINC000737807071 599461904 /nfs/dbraw/zinc/46/19/04/599461904.db2.gz NNTUFPNCYIYOJA-ARJAWSKDSA-N -1 3 390.790 3.810 20 30 GHEDHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820397500 599531691 /nfs/dbraw/zinc/53/16/91/599531691.db2.gz PJILOLVNPKDKDS-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820397500 599531693 /nfs/dbraw/zinc/53/16/93/599531693.db2.gz PJILOLVNPKDKDS-HNNXBMFYSA-N -1 3 394.438 3.896 20 30 GHEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000736360126 599883477 /nfs/dbraw/zinc/88/34/77/599883477.db2.gz OZXRZOWXTXJAOF-TZMCWYRMSA-N -1 3 377.853 3.932 20 30 GHEDHM C=CCC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734896 607405121 /nfs/dbraw/zinc/40/51/21/607405121.db2.gz WYRPSMQSTHLEEV-GOSISDBHSA-N -1 3 379.489 3.783 20 30 GHEDHM C=CCC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734896 607405123 /nfs/dbraw/zinc/40/51/23/607405123.db2.gz WYRPSMQSTHLEEV-GOSISDBHSA-N -1 3 379.489 3.783 20 30 GHEDHM C=CCC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000819734755 607421849 /nfs/dbraw/zinc/42/18/49/607421849.db2.gz SIRDACNMERKPIZ-INIZCTEOSA-N -1 3 378.436 3.704 20 30 GHEDHM C=CCC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000819734755 607421852 /nfs/dbraw/zinc/42/18/52/607421852.db2.gz SIRDACNMERKPIZ-INIZCTEOSA-N -1 3 378.436 3.704 20 30 GHEDHM N#Cc1ccc([C@H](NCc2cccc(COCc3ccco3)c2)C(=O)[O-])cc1 ZINC000739107447 600594105 /nfs/dbraw/zinc/59/41/05/600594105.db2.gz QEDZGKHYVLKVSJ-NRFANRHFSA-N -1 3 376.412 3.784 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504071 607458812 /nfs/dbraw/zinc/45/88/12/607458812.db2.gz LNUHQGLWOYZQCC-UYSZGSBFSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504071 607458814 /nfs/dbraw/zinc/45/88/14/607458814.db2.gz LNUHQGLWOYZQCC-UYSZGSBFSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1sccc1Br ZINC000822922582 607459128 /nfs/dbraw/zinc/45/91/28/607459128.db2.gz HSZDHHLEEIIQNZ-ONEGZZNKSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1sccc1Br ZINC000822922582 607459129 /nfs/dbraw/zinc/45/91/29/607459129.db2.gz HSZDHHLEEIIQNZ-ONEGZZNKSA-N -1 3 379.214 3.726 20 30 GHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000827716711 601302934 /nfs/dbraw/zinc/30/29/34/601302934.db2.gz AJOZPTLIKLWMBM-SJCJKPOMSA-N -1 3 378.350 3.976 20 30 GHEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(=O)[O-])s1 ZINC000825711039 601844803 /nfs/dbraw/zinc/84/48/03/601844803.db2.gz MKAIUTNQVUMKCL-UHFFFAOYSA-N -1 3 392.550 3.545 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1ccc(F)cc1F ZINC000823909777 607709310 /nfs/dbraw/zinc/70/93/10/607709310.db2.gz QUCFQLIZGUYWBK-AWEZNQCLSA-N -1 3 397.429 3.853 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1ccc(F)cc1F ZINC000823909777 607709312 /nfs/dbraw/zinc/70/93/12/607709312.db2.gz QUCFQLIZGUYWBK-AWEZNQCLSA-N -1 3 397.429 3.853 20 30 GHEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cc(Cl)ccc1Cl ZINC000824764197 607710220 /nfs/dbraw/zinc/71/02/20/607710220.db2.gz UGUBANFLKXISDX-ZETCQYMHSA-N -1 3 392.275 3.876 20 30 GHEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cc(Cl)ccc1Cl ZINC000824764197 607710223 /nfs/dbraw/zinc/71/02/23/607710223.db2.gz UGUBANFLKXISDX-ZETCQYMHSA-N -1 3 392.275 3.876 20 30 GHEDHM N#CC(C(=O)CCC1CCN(C(=O)[O-])CC1)c1nc2ccccc2n1C(F)F ZINC000833961520 606085019 /nfs/dbraw/zinc/08/50/19/606085019.db2.gz RBWZJECZSUZHJY-ZDUSSCGKSA-N -1 3 390.390 3.778 20 30 GHEDHM CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820077052 606152877 /nfs/dbraw/zinc/15/28/77/606152877.db2.gz ZECUVONTAGCIKL-UHFFFAOYSA-N -1 3 395.389 3.679 20 30 GHEDHM CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820077052 606152879 /nfs/dbraw/zinc/15/28/79/606152879.db2.gz ZECUVONTAGCIKL-UHFFFAOYSA-N -1 3 395.389 3.679 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1cc(C(C)C)n(C)c1=S ZINC000819745411 606155568 /nfs/dbraw/zinc/15/55/68/606155568.db2.gz BNAXDKGOUWIXOT-UHFFFAOYSA-N -1 3 383.525 3.505 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cc(C(C)C)n(C)c1=S ZINC000819745411 606155571 /nfs/dbraw/zinc/15/55/71/606155571.db2.gz BNAXDKGOUWIXOT-UHFFFAOYSA-N -1 3 383.525 3.505 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000819743645 606162391 /nfs/dbraw/zinc/16/23/91/606162391.db2.gz NDBZFGROFGCVDE-IRXDYDNUSA-N -1 3 390.491 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000819743645 606162392 /nfs/dbraw/zinc/16/23/92/606162392.db2.gz NDBZFGROFGCVDE-IRXDYDNUSA-N -1 3 390.491 3.757 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822837410 606536792 /nfs/dbraw/zinc/53/67/92/606536792.db2.gz NPAODIFHOYMFON-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822837410 606536794 /nfs/dbraw/zinc/53/67/94/606536794.db2.gz NPAODIFHOYMFON-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2F)c(OC(F)F)c1 ZINC000822825508 606599462 /nfs/dbraw/zinc/59/94/62/606599462.db2.gz IHAXESOYNWUEAW-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM N#Cc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2F)c(OC(F)F)c1 ZINC000822825508 606599464 /nfs/dbraw/zinc/59/94/64/606599464.db2.gz IHAXESOYNWUEAW-UHFFFAOYSA-N -1 3 391.378 3.912 20 30 GHEDHM CC[C@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000820842609 606614294 /nfs/dbraw/zinc/61/42/94/606614294.db2.gz OHXBYBIYPXONGC-GFCCVEGCSA-N -1 3 383.795 3.771 20 30 GHEDHM C[C@@H]1CCC(=CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820674919 606626713 /nfs/dbraw/zinc/62/67/13/606626713.db2.gz HHMHWOJGMMGAHK-VRWPGVAASA-N -1 3 390.472 3.913 20 30 GHEDHM C[C@@H]1CCC(=CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820674919 606626715 /nfs/dbraw/zinc/62/67/15/606626715.db2.gz HHMHWOJGMMGAHK-VRWPGVAASA-N -1 3 390.472 3.913 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000819743368 606744197 /nfs/dbraw/zinc/74/41/97/606744197.db2.gz HNOCVTSXPBLROQ-OAHLLOKOSA-N -1 3 394.454 3.773 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000819743368 606744199 /nfs/dbraw/zinc/74/41/99/606744199.db2.gz HNOCVTSXPBLROQ-OAHLLOKOSA-N -1 3 394.454 3.773 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(C)cc1Cl ZINC000819743832 606800591 /nfs/dbraw/zinc/80/05/91/606800591.db2.gz QQDYOUBXCPGGOV-UHFFFAOYSA-N -1 3 381.867 3.586 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(C)cc1Cl ZINC000819743832 606800593 /nfs/dbraw/zinc/80/05/93/606800593.db2.gz QQDYOUBXCPGGOV-UHFFFAOYSA-N -1 3 381.867 3.586 20 30 GHEDHM N#Cc1ccc([C@H](O)COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000822825485 606851464 /nfs/dbraw/zinc/85/14/64/606851464.db2.gz HJZQTEIXFPJNKI-OAQYLSRUSA-N -1 3 383.411 3.518 20 30 GHEDHM N#Cc1ccc([C@H](O)COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000822825485 606851466 /nfs/dbraw/zinc/85/14/66/606851466.db2.gz HJZQTEIXFPJNKI-OAQYLSRUSA-N -1 3 383.411 3.518 20 30 GHEDHM C=CCOc1ccc(-c2nnc(SCc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000819759135 607169341 /nfs/dbraw/zinc/16/93/41/607169341.db2.gz OVRPKZBMSFBBFB-UHFFFAOYSA-N -1 3 392.444 3.774 20 30 GHEDHM C=CCOc1ccc(-c2nnc(SCc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000819759135 607169342 /nfs/dbraw/zinc/16/93/42/607169342.db2.gz OVRPKZBMSFBBFB-UHFFFAOYSA-N -1 3 392.444 3.774 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000826385950 607878063 /nfs/dbraw/zinc/87/80/63/607878063.db2.gz IWQOXUMYUMSCJY-OAQYLSRUSA-N -1 3 399.410 3.643 20 30 GHEDHM N#Cc1ccc(Oc2ccc(OC[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000826385950 607878064 /nfs/dbraw/zinc/87/80/64/607878064.db2.gz IWQOXUMYUMSCJY-OAQYLSRUSA-N -1 3 399.410 3.643 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)OCC ZINC000823872862 607886989 /nfs/dbraw/zinc/88/69/89/607886989.db2.gz FHPAQPDEUUVMEU-LJQANCHMSA-N -1 3 393.447 3.969 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)OCC ZINC000823872862 607886990 /nfs/dbraw/zinc/88/69/90/607886990.db2.gz FHPAQPDEUUVMEU-LJQANCHMSA-N -1 3 393.447 3.969 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000823914929 608026648 /nfs/dbraw/zinc/02/66/48/608026648.db2.gz PAODIVVSVKSMHY-UHFFFAOYSA-N -1 3 385.427 3.955 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000823914929 608026649 /nfs/dbraw/zinc/02/66/49/608026649.db2.gz PAODIVVSVKSMHY-UHFFFAOYSA-N -1 3 385.427 3.955 20 30 GHEDHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccccc1C#N ZINC000824757166 608205900 /nfs/dbraw/zinc/20/59/00/608205900.db2.gz TUXAHTPBNUQAMX-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccccc1C#N ZINC000824757166 608205901 /nfs/dbraw/zinc/20/59/01/608205901.db2.gz TUXAHTPBNUQAMX-SNVBAGLBSA-N -1 3 384.852 3.511 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CC/C1=C\c1c(C2CC2)nc2sccn12 ZINC000826475485 608387749 /nfs/dbraw/zinc/38/77/49/608387749.db2.gz HLLVEXZTVILBSD-JLHYYAGUSA-N -1 3 388.456 3.666 20 30 GHEDHM Fc1cc(-c2ccncc2)ccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826371330 608535044 /nfs/dbraw/zinc/53/50/44/608535044.db2.gz BUKDPFKPMQNNFX-UHFFFAOYSA-N -1 3 394.801 3.562 20 30 GHEDHM N#Cc1cc(C=C2CCC(=Cc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)ccc1F ZINC000826383788 608875305 /nfs/dbraw/zinc/87/53/05/608875305.db2.gz QBCNPTSRTNEYKZ-GOBHWCIESA-N -1 3 389.365 3.846 20 30 GHEDHM N#Cc1cc(C=C2CCC(=Cc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)ccc1F ZINC000826383788 608875308 /nfs/dbraw/zinc/87/53/08/608875308.db2.gz QBCNPTSRTNEYKZ-GOBHWCIESA-N -1 3 389.365 3.846 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958468 609159057 /nfs/dbraw/zinc/15/90/57/609159057.db2.gz OCDDJOGGXNAOBM-UHFFFAOYSA-N -1 3 394.332 3.783 20 30 GHEDHM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958468 609159060 /nfs/dbraw/zinc/15/90/60/609159060.db2.gz OCDDJOGGXNAOBM-UHFFFAOYSA-N -1 3 394.332 3.783 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1)OCC ZINC000823874369 609165323 /nfs/dbraw/zinc/16/53/23/609165323.db2.gz VOFRHTQOBPVVDU-QGZVFWFLSA-N -1 3 394.479 3.584 20 30 GHEDHM C=C(C)[C@@H](CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1)OCC ZINC000823874369 609165324 /nfs/dbraw/zinc/16/53/24/609165324.db2.gz VOFRHTQOBPVVDU-QGZVFWFLSA-N -1 3 394.479 3.584 20 30 GHEDHM CCCC[C@H](ON=C(C)C)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825268364 609268327 /nfs/dbraw/zinc/26/83/27/609268327.db2.gz UCYXNUPLLZGMIG-QAPCUYQASA-N -1 3 386.500 3.747 20 30 GHEDHM CCCC[C@H](ON=C(C)C)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825268364 609268328 /nfs/dbraw/zinc/26/83/28/609268328.db2.gz UCYXNUPLLZGMIG-QAPCUYQASA-N -1 3 386.500 3.747 20 30 GHEDHM Cc1ccc(C)c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826284026 609307976 /nfs/dbraw/zinc/30/79/76/609307976.db2.gz ICCHIWOORYDGRY-KHPPLWFESA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1ccc(C)c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826284026 609307978 /nfs/dbraw/zinc/30/79/78/609307978.db2.gz ICCHIWOORYDGRY-KHPPLWFESA-N -1 3 384.443 3.780 20 30 GHEDHM Cn1cc(C=CC(=O)c2coc3ccccc23)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359662 609309764 /nfs/dbraw/zinc/30/97/64/609309764.db2.gz NGQHYQJVRUQQSD-ZHACJKMWSA-N -1 3 396.410 3.910 20 30 GHEDHM Cn1cc(C=CC(=O)c2coc3ccccc23)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359662 609309765 /nfs/dbraw/zinc/30/97/65/609309765.db2.gz NGQHYQJVRUQQSD-ZHACJKMWSA-N -1 3 396.410 3.910 20 30 GHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823872819 609380506 /nfs/dbraw/zinc/38/05/06/609380506.db2.gz DZDLCGARRGJRRG-UHFFFAOYSA-N -1 3 382.399 3.838 20 30 GHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823872819 609380508 /nfs/dbraw/zinc/38/05/08/609380508.db2.gz DZDLCGARRGJRRG-UHFFFAOYSA-N -1 3 382.399 3.838 20 30 GHEDHM C=C(C)CN(C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000823874256 609380519 /nfs/dbraw/zinc/38/05/19/609380519.db2.gz UKMDOZAADRUHRE-UHFFFAOYSA-N -1 3 392.463 3.794 20 30 GHEDHM C=C(C)CN(C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000823874256 609380521 /nfs/dbraw/zinc/38/05/21/609380521.db2.gz UKMDOZAADRUHRE-UHFFFAOYSA-N -1 3 392.463 3.794 20 30 GHEDHM O=C1C[C@H](/N=C\c2cc(Br)ccc2[O-])CN1c1c(F)cccc1F ZINC000255085132 837720693 /nfs/dbraw/zinc/72/06/93/837720693.db2.gz XFTFEMDAHVZBEI-ROXQOTQNSA-N -1 3 395.203 3.657 20 30 GHEDHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000126843356 834692042 /nfs/dbraw/zinc/69/20/42/834692042.db2.gz GEOHJAJRJFYWSS-UHFFFAOYSA-N -1 3 389.424 3.635 20 30 GHEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000510061361 834755097 /nfs/dbraw/zinc/75/50/97/834755097.db2.gz ZIZYODQJDSUSQD-SFHVURJKSA-N -1 3 390.270 3.722 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(-c2ccccc2)s1 ZINC000091773345 835003677 /nfs/dbraw/zinc/00/36/77/835003677.db2.gz XOONXUKDKCZDPB-UHFFFAOYSA-N -1 3 378.457 3.558 20 30 GHEDHM CCOc1cc(/C=C\C(=O)c2cc(O)cc(O)c2)cc(Br)c1[O-] ZINC000255002663 835685029 /nfs/dbraw/zinc/68/50/29/835685029.db2.gz RIHSTPRECSRAIP-ARJAWSKDSA-N -1 3 379.206 3.861 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(C(C)C)nc1C ZINC000892494344 836192894 /nfs/dbraw/zinc/19/28/94/836192894.db2.gz CUGCPHVXAPMQPA-KRWDZBQOSA-N -1 3 378.476 3.994 20 30 GHEDHM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000189314209 838253400 /nfs/dbraw/zinc/25/34/00/838253400.db2.gz BCOKOIQUYNAWLB-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000609187659 838257873 /nfs/dbraw/zinc/25/78/73/838257873.db2.gz RVYMMVTYSWBISF-LJQANCHMSA-N -1 3 395.478 3.971 20 30 GHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2ccc(Cl)cc2n1 ZINC000255150172 838589608 /nfs/dbraw/zinc/58/96/08/838589608.db2.gz XQORQTXDQNJYCD-QWGSZXSUSA-N -1 3 376.803 3.644 20 30 GHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)COc1ccccc1Br ZINC000255169805 838886316 /nfs/dbraw/zinc/88/63/16/838886316.db2.gz FVGIUYPFICNZHV-YPPWBJDHSA-N -1 3 384.657 3.667 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000122404727 839511633 /nfs/dbraw/zinc/51/16/33/839511633.db2.gz BIGKXQZOLUCWDG-OAHLLOKOSA-N -1 3 378.215 3.652 20 30 GHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(CN3C(=O)CCC3=O)cc2)s1 ZINC000430614155 841736256 /nfs/dbraw/zinc/73/62/56/841736256.db2.gz YMTHWIHMOMUMET-HNNXBMFYSA-N -1 3 395.484 3.580 20 30 GHEDHM CC(C)(C)OC(=O)N1CCC[C@@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000730733325 861247645 /nfs/dbraw/zinc/24/76/45/861247645.db2.gz XEEZHYNYSPNFCM-LEBHLANCSA-N -1 3 383.286 3.973 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(OCc4ccccc4)cn3)nc21 ZINC000429113159 861364679 /nfs/dbraw/zinc/36/46/79/861364679.db2.gz JUDCHESHNYYAKD-INIZCTEOSA-N -1 3 383.411 3.730 20 30 GHEDHM Cc1ncc(CO)c(/C=N/C[C@H](C)Sc2ccc(Br)cc2)c1[O-] ZINC000731562640 861713855 /nfs/dbraw/zinc/71/38/55/861713855.db2.gz DTQGYVVMDCJJIN-LOMXTUQMSA-N -1 3 395.322 3.950 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1Cl ZINC000135516928 846797796 /nfs/dbraw/zinc/79/77/96/846797796.db2.gz NZSBFHSOWCGHPD-UHFFFAOYSA-N -1 3 382.779 3.826 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ncc(-c2ccccc2)o1 ZINC000183712336 846936064 /nfs/dbraw/zinc/93/60/64/846936064.db2.gz OTBZLBCMQPXTHF-GFCCVEGCSA-N -1 3 387.848 3.906 20 30 GHEDHM O=C(COCC(F)(F)F)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000272386563 847066459 /nfs/dbraw/zinc/06/64/59/847066459.db2.gz ILOIUWRWDOWUOZ-JTQLQIEISA-N -1 3 381.219 3.587 20 30 GHEDHM C[C@@H](c1ccncc1)N1CCC(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000158274043 847185824 /nfs/dbraw/zinc/18/58/24/847185824.db2.gz YFQNWIDHSLMHOL-AEOXGOBCSA-N -1 3 388.855 3.993 20 30 GHEDHM COC(=O)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000016936568 847784640 /nfs/dbraw/zinc/78/46/40/847784640.db2.gz YFPAJYLPOVEXIQ-UGVMZYNRSA-N -1 3 377.824 3.786 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CSc3ccccc3O2)no1 ZINC000278091391 849126683 /nfs/dbraw/zinc/12/66/83/849126683.db2.gz OQYXAMZZDBQOFF-INIZCTEOSA-N -1 3 394.456 3.670 20 30 GHEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000435120166 850092165 /nfs/dbraw/zinc/09/21/65/850092165.db2.gz ITCBMZCORAYYDS-INIZCTEOSA-N -1 3 376.434 3.589 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000486836547 850162061 /nfs/dbraw/zinc/16/20/61/850162061.db2.gz ZAVYGFYLMYTWPU-SSDOTTSWSA-N -1 3 395.815 3.726 20 30 GHEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc(OC)c1O ZINC000426754750 852361306 /nfs/dbraw/zinc/36/13/06/852361306.db2.gz SSYCFCXHQMVLFO-QGZVFWFLSA-N -1 3 379.815 3.837 20 30 GHEDHM C=C[C@H]1CCCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436821493 852390586 /nfs/dbraw/zinc/39/05/86/852390586.db2.gz KWXBSZJWXXYXNY-PZJWPPBQSA-N -1 3 378.472 3.821 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000516699931 852900815 /nfs/dbraw/zinc/90/08/15/852900815.db2.gz LKDJXOKCKJELTH-UHFFFAOYSA-N -1 3 395.425 3.980 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)c(F)c1 ZINC000151213725 853172055 /nfs/dbraw/zinc/17/20/55/853172055.db2.gz QBDGKNWDMOSSDR-UHFFFAOYSA-N -1 3 378.475 3.888 20 30 GHEDHM N#CC(=C([O-])C=Cc1ccccc1OC(F)(F)F)c1nnc2n1CCCCC2 ZINC000054727096 853507978 /nfs/dbraw/zinc/50/79/78/853507978.db2.gz XUWQBNVLFZIZLZ-ATWMFIQVSA-N -1 3 390.365 3.793 20 30 GHEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C2CC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000573178941 855914481 /nfs/dbraw/zinc/91/44/81/855914481.db2.gz WUHHMAMKKWIZEH-HNNXBMFYSA-N -1 3 394.374 3.527 20 30 GHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C(=O)OC(C)(C)C)cn3)nc21 ZINC000592369283 856781105 /nfs/dbraw/zinc/78/11/05/856781105.db2.gz JKICDUBPLQWCLZ-AWEZNQCLSA-N -1 3 376.416 3.712 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000508112157 856939483 /nfs/dbraw/zinc/93/94/83/856939483.db2.gz LWQWFOFZODBTGO-INIZCTEOSA-N -1 3 379.363 3.621 20 30 GHEDHM COc1ccc2c(c1)O/C(=C\c1ccc(OC)c([O-])c1Br)C2=O ZINC000761009811 857210173 /nfs/dbraw/zinc/21/01/73/857210173.db2.gz HLMLPBBSNIUADQ-AUWJEWJLSA-N -1 3 377.190 3.788 20 30 GHEDHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cccc21 ZINC000593213778 857403339 /nfs/dbraw/zinc/40/33/39/857403339.db2.gz WUASHUYVEQMBPC-IBGZPJMESA-N -1 3 399.516 3.674 20 30 GHEDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000521422344 857963996 /nfs/dbraw/zinc/96/39/96/857963996.db2.gz QYLNQMSYWDIUIE-MFKMUULPSA-N -1 3 384.379 3.772 20 30 GHEDHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428269793 858437592 /nfs/dbraw/zinc/43/75/92/858437592.db2.gz LEFPLCWSXNSUHG-CQSZACIVSA-N -1 3 398.513 3.733 20 30 GHEDHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)CC(F)(F)F ZINC000595419021 858525368 /nfs/dbraw/zinc/52/53/68/858525368.db2.gz WFMMYFOFZSSNKJ-UHFFFAOYSA-N -1 3 399.232 3.578 20 30 GHEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000171979973 863062844 /nfs/dbraw/zinc/06/28/44/863062844.db2.gz QQYGVXGCCZSAAY-KRWDZBQOSA-N -1 3 378.819 3.795 20 30 GHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cc(F)c(OC)cc1F ZINC000543210226 858898514 /nfs/dbraw/zinc/89/85/14/858898514.db2.gz CESSOIHCYLKHCQ-CYBMUJFWSA-N -1 3 396.397 3.997 20 30 GHEDHM N#Cc1cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1F ZINC000160887803 859334784 /nfs/dbraw/zinc/33/47/84/859334784.db2.gz BNFPJDTVLWIVNX-UHFFFAOYSA-N -1 3 387.842 3.907 20 30 GHEDHM COc1cc(C(C)=NNc2ncnc3sc4c(c32)CCC4)cc([N+](=O)[O-])c1[O-] ZINC000764666452 859558386 /nfs/dbraw/zinc/55/83/86/859558386.db2.gz QOGBOMBHTWHIAL-UHFFFAOYSA-N -1 3 399.432 3.639 20 30 GHEDHM COc1cc(C(C)=NN=c2nc[nH]c3sc4c(c32)CCC4)cc([N+](=O)[O-])c1[O-] ZINC000764666452 859558394 /nfs/dbraw/zinc/55/83/94/859558394.db2.gz QOGBOMBHTWHIAL-UHFFFAOYSA-N -1 3 399.432 3.639 20 30 GHEDHM CCOC(=O)c1sc([N-]C(=O)c2ncccc2C(F)(F)F)c(C#N)c1C ZINC000611291632 859684573 /nfs/dbraw/zinc/68/45/73/859684573.db2.gz SUXHPDLXMVCOKA-UHFFFAOYSA-N -1 3 383.351 3.771 20 30 GHEDHM C=CCN(CC(F)(F)F)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000543431615 859701034 /nfs/dbraw/zinc/70/10/34/859701034.db2.gz POOWWWCKYBFNIH-UHFFFAOYSA-N -1 3 394.271 3.617 20 30 GHEDHM COc1ccc(CC/N=C/c2cc(Br)ccc2[O-])c(OC)c1OC ZINC000727685285 860181571 /nfs/dbraw/zinc/18/15/71/860181571.db2.gz HQOFRFRQAYHISV-RGVLZGJSSA-N -1 3 394.265 3.842 20 30 GHEDHM O=C(c1cnc(C2OCCO2)s1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904179856 860187036 /nfs/dbraw/zinc/18/70/36/860187036.db2.gz CYVFUHAKUZIJPY-UHFFFAOYSA-N -1 3 375.233 3.527 20 30 GHEDHM O=C(c1ccncc1)N1CCC[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904170616 860200881 /nfs/dbraw/zinc/20/08/81/860200881.db2.gz DKINMMBRMISHLK-HXUWFJFHSA-N -1 3 389.455 3.505 20 30 GHEDHM C=CCC[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000281674866 863308589 /nfs/dbraw/zinc/30/85/89/863308589.db2.gz KCQSJPUSUBYRKJ-KRWDZBQOSA-N -1 3 382.426 3.654 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706741 863718334 /nfs/dbraw/zinc/71/83/34/863718334.db2.gz YRTJWUYCRNDZJZ-CVEARBPZSA-N -1 3 399.241 3.787 20 30 GHEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706741 863718344 /nfs/dbraw/zinc/71/83/44/863718344.db2.gz YRTJWUYCRNDZJZ-CVEARBPZSA-N -1 3 399.241 3.787 20 30 GHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000734120228 864008628 /nfs/dbraw/zinc/00/86/28/864008628.db2.gz RYHBLNDOBLVKBZ-UHFFFAOYSA-N -1 3 375.881 3.921 20 30 GHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480572639 864889803 /nfs/dbraw/zinc/88/98/03/864889803.db2.gz DYJKEQNQTJETSI-VIFPVBQESA-N -1 3 384.387 3.539 20 30 GHEDHM CCn1nc(C)c(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)c1C ZINC000131155365 865754090 /nfs/dbraw/zinc/75/40/90/865754090.db2.gz CGGBOWKTSOJPHW-VOTSOKGWSA-N -1 3 379.254 3.893 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1nccc2ccccc21 ZINC000740761433 865988725 /nfs/dbraw/zinc/98/87/25/865988725.db2.gz RZFRBUVJWOFDLL-SFHVURJKSA-N -1 3 389.440 3.510 20 30 GHEDHM C=CCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000620329534 866683489 /nfs/dbraw/zinc/68/34/89/866683489.db2.gz DJEUWVLERQJSRT-UHFFFAOYSA-N -1 3 388.489 3.635 20 30 GHEDHM COC(=O)C[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(C(C)(C)C)cc1 ZINC000737445300 866769761 /nfs/dbraw/zinc/76/97/61/866769761.db2.gz ZSECCIFQYCGWPI-HRGKPLJHSA-N -1 3 384.476 3.609 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1coc(-c2ccccc2)n1 ZINC000742733917 867517602 /nfs/dbraw/zinc/51/76/02/867517602.db2.gz GDOLBYHSMQWISW-UHFFFAOYSA-N -1 3 377.400 3.607 20 30 GHEDHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3cccc(C#N)c3)[n-]c(=O)c21 ZINC000442907994 869043014 /nfs/dbraw/zinc/04/30/14/869043014.db2.gz ZHMYOLYUIYTKCD-NSHDSACASA-N -1 3 380.429 3.550 20 30 GHEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)=O)cn3C)n2)cc1 ZINC000121852611 882269404 /nfs/dbraw/zinc/26/94/04/882269404.db2.gz UYFTUUVKJNOZDC-INIZCTEOSA-N -1 3 379.441 3.850 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000525370601 870559107 /nfs/dbraw/zinc/55/91/07/870559107.db2.gz ZOIQMJNADLDKFQ-UHFFFAOYSA-N -1 3 379.441 3.642 20 30 GHEDHM N#CC1(CS(=O)(=O)[N-]Cc2cc(-c3ccc(F)cc3F)on2)CCCCC1 ZINC001194338909 871653753 /nfs/dbraw/zinc/65/37/53/871653753.db2.gz WOXWDVNJPPJQKD-UHFFFAOYSA-N -1 3 395.431 3.513 20 30 GHEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618717280 871893053 /nfs/dbraw/zinc/89/30/53/871893053.db2.gz XJMMGRBNFJVYCS-CQSZACIVSA-N -1 3 397.319 3.657 20 30 GHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)c(C)c1C ZINC001194865145 871997412 /nfs/dbraw/zinc/99/74/12/871997412.db2.gz ZAKSAPQUULHERS-UHFFFAOYSA-N -1 3 387.501 3.544 20 30 GHEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000619462473 872658978 /nfs/dbraw/zinc/65/89/78/872658978.db2.gz YRSCYWPHZCQTRB-UHFFFAOYSA-N -1 3 378.413 3.690 20 30 GHEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cc([O-])c4ccccc4c3)n2)c(Cl)c1 ZINC000527463496 873163023 /nfs/dbraw/zinc/16/30/23/873163023.db2.gz BUILLAUUYUNQFY-UHFFFAOYSA-N -1 3 388.814 3.930 20 30 GHEDHM COC(=O)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(OC)cc1OC ZINC000768268947 873199116 /nfs/dbraw/zinc/19/91/16/873199116.db2.gz KCJOJLBFPUYMGD-NBZOHKLQSA-N -1 3 377.824 3.786 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)c(F)c1 ZINC000768763923 873535006 /nfs/dbraw/zinc/53/50/06/873535006.db2.gz RMNTYNGLMDDOIG-QGZVFWFLSA-N -1 3 396.418 3.698 20 30 GHEDHM CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001197032294 873555528 /nfs/dbraw/zinc/55/55/28/873555528.db2.gz CSDLRMNERJFQDD-UHFFFAOYSA-N -1 3 388.811 3.912 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(SC)c2F)c(C)c1[O-] ZINC001197106868 873603273 /nfs/dbraw/zinc/60/32/73/873603273.db2.gz FHGDALVMTATJCW-UHFFFAOYSA-N -1 3 388.420 3.862 20 30 GHEDHM Cc1ncc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(=O)[n-]1 ZINC000541457093 873641639 /nfs/dbraw/zinc/64/16/39/873641639.db2.gz MEKMMOBSGBJJRX-UHFFFAOYSA-N -1 3 390.468 3.585 20 30 GHEDHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000775934839 874795671 /nfs/dbraw/zinc/79/56/71/874795671.db2.gz QWGUXBWKNUEGNJ-VIFPVBQESA-N -1 3 379.199 3.755 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(C3CCC3)nc2)c(C)c1[O-] ZINC001199287612 874889563 /nfs/dbraw/zinc/88/95/63/874889563.db2.gz RMINFIREKIQVBN-UHFFFAOYSA-N -1 3 379.416 3.664 20 30 GHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000388826396 875151258 /nfs/dbraw/zinc/15/12/58/875151258.db2.gz BVCKEYWLJILKMC-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C3CCCC3)n2)cc1Cl ZINC000121577002 875676153 /nfs/dbraw/zinc/67/61/53/875676153.db2.gz ASRDOXRLPZDFHL-AWEZNQCLSA-N -1 3 386.839 3.621 20 30 GHEDHM COc1c([O-])c(/C=C2\SC(=Nc3ccccc3C)NC2=O)ccc1[N+](=O)[O-] ZINC000772177884 875733284 /nfs/dbraw/zinc/73/32/84/875733284.db2.gz XWOBKOKIYUVWJW-ZROIWOOFSA-N -1 3 385.401 3.509 20 30 GHEDHM N#CCc1cc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)ccc1F ZINC001201627727 875803138 /nfs/dbraw/zinc/80/31/38/875803138.db2.gz PBJLFMRRDISGEW-UHFFFAOYSA-N -1 3 383.404 3.880 20 30 GHEDHM CCOC(Cc1c(Nc2ccc(C(F)(F)F)cc2C#N)nc[n-]c1=O)OCC ZINC001201691877 875835919 /nfs/dbraw/zinc/83/59/19/875835919.db2.gz UINIQQMGEOIPJR-UHFFFAOYSA-N -1 3 396.369 3.758 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000776280647 876168751 /nfs/dbraw/zinc/16/87/51/876168751.db2.gz VQSIOUNXRHRQQZ-UHFFFAOYSA-N -1 3 398.724 3.732 20 30 GHEDHM N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cc3sccc3c([O-])c2)C1=O ZINC000786139388 876467902 /nfs/dbraw/zinc/46/79/02/876467902.db2.gz GADNJCWJIAVXHD-CQSZACIVSA-N -1 3 384.438 3.502 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000451019448 877195643 /nfs/dbraw/zinc/19/56/43/877195643.db2.gz RYUZEEZPGLLBNH-RYUDHWBXSA-N -1 3 380.819 3.805 20 30 GHEDHM CCC(CC)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc1C ZINC000776519060 877451480 /nfs/dbraw/zinc/45/14/80/877451480.db2.gz XXVWKEPOHSNWHA-MRXNPFEDSA-N -1 3 398.463 3.531 20 30 GHEDHM N#Cc1ccc(-c2nnc(COC(=O)CCCc3ccc([O-])c(F)c3)o2)cc1 ZINC000787847355 877666041 /nfs/dbraw/zinc/66/60/41/877666041.db2.gz CNUOUEAKMOLBHU-UHFFFAOYSA-N -1 3 381.363 3.519 20 30 GHEDHM CCOc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c(C)c1 ZINC000853271659 878945947 /nfs/dbraw/zinc/94/59/47/878945947.db2.gz LSQYSWWIBCLNNW-GOSISDBHSA-N -1 3 396.472 3.669 20 30 GHEDHM N#CC(=C([O-])c1ccc(CN2CCCCC2=O)cc1)c1cnc2ccccc2n1 ZINC000792109804 880902981 /nfs/dbraw/zinc/90/29/81/880902981.db2.gz HDPYWIWKHCZRSN-SFHVURJKSA-N -1 3 384.439 3.632 20 30 GHEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C(F)F)cc1)c1nccc2ccccc21 ZINC000792093661 880921296 /nfs/dbraw/zinc/92/12/96/880921296.db2.gz KGEUCNWHIDAUOU-MRXNPFEDSA-N -1 3 386.379 3.721 20 30 GHEDHM C=CCN1CC2(CCC1=O)CCN(Cc1cccc([O-])c1Br)CC2 ZINC001275211153 912639976 /nfs/dbraw/zinc/63/99/76/912639976.db2.gz ZNDBONBPRVCAPN-UHFFFAOYSA-N -1 3 393.325 3.545 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CC23CCC(F)(F)CC3)c(C)c1[O-] ZINC001183581728 912662098 /nfs/dbraw/zinc/66/20/98/912662098.db2.gz LPTBUQSXPHCPLR-AWEZNQCLSA-N -1 3 392.402 3.903 20 30 GHEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001275236307 912780145 /nfs/dbraw/zinc/78/01/45/912780145.db2.gz NJLPBUDDAXTQCQ-HNNXBMFYSA-N -1 3 396.318 3.721 20 30 GHEDHM C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788763 884071139 /nfs/dbraw/zinc/07/11/39/884071139.db2.gz SERFGLCXRNOQAS-ZQIUZPCESA-N -1 3 381.442 3.765 20 30 GHEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)c1ccccc1 ZINC000914606768 884315319 /nfs/dbraw/zinc/31/53/19/884315319.db2.gz QUYHTSCMARUXOQ-UHFFFAOYSA-N -1 3 390.480 3.735 20 30 GHEDHM N#CC(=C([O-])c1ccc(SC(F)(F)F)nc1)c1nnc2n1CCCCC2 ZINC000860483691 884726768 /nfs/dbraw/zinc/72/67/68/884726768.db2.gz SOLPZXFHOKQSFQ-NSHDSACASA-N -1 3 381.383 3.501 20 30 GHEDHM COc1cc(Cl)cc(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000861361769 885427320 /nfs/dbraw/zinc/42/73/20/885427320.db2.gz LRJRYZAFTISSJN-UHFFFAOYSA-N -1 3 388.851 3.656 20 30 GHEDHM O=C1Nc2cc(Br)ccc2C1=N[N-]c1ncccc1C(F)(F)F ZINC000915050374 885554668 /nfs/dbraw/zinc/55/46/68/885554668.db2.gz MHQCDATUARQILP-UHFFFAOYSA-N -1 3 385.143 3.631 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)CCCCCC3)c(=O)[n-]1 ZINC000193371889 885822282 /nfs/dbraw/zinc/82/22/82/885822282.db2.gz KRQRLBXRHXERFU-UHFFFAOYSA-N -1 3 384.505 3.550 20 30 GHEDHM CC(C)(C)CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cscn1 ZINC000807974558 885930312 /nfs/dbraw/zinc/93/03/12/885930312.db2.gz LBRZXDTUDPGPAU-UHFFFAOYSA-N -1 3 379.551 3.836 20 30 GHEDHM CCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000498880742 886015317 /nfs/dbraw/zinc/01/53/17/886015317.db2.gz ONJLFEKSTLAFNH-GFCCVEGCSA-N -1 3 381.382 3.901 20 30 GHEDHM Cc1ncc(CO)c(/C=N\Cc2ccccc2COCc2ccccc2)c1[O-] ZINC000915271535 886194291 /nfs/dbraw/zinc/19/42/91/886194291.db2.gz ZRTMBQUGJBGAJM-CFRMEGHHSA-N -1 3 376.456 3.924 20 30 GHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1 ZINC000119641585 887392066 /nfs/dbraw/zinc/39/20/66/887392066.db2.gz QDWDMOOGOKPXCD-SCLBCKFNSA-N -1 3 397.500 3.859 20 30 GHEDHM C#CC[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000809734227 887716227 /nfs/dbraw/zinc/71/62/27/887716227.db2.gz BKRQDOOEWICACL-IBGZPJMESA-N -1 3 378.856 3.777 20 30 GHEDHM COc1cc(OC)c(C/N=C/c2cc(Br)ccc2[O-])c(OC)c1 ZINC000915981332 888597024 /nfs/dbraw/zinc/59/70/24/888597024.db2.gz QDCAUQCXDFBGFY-DJKKODMXSA-N -1 3 380.238 3.800 20 30 GHEDHM N#Cc1cccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)c2)c1 ZINC000915988328 888609805 /nfs/dbraw/zinc/60/98/05/888609805.db2.gz URWWACLYDOXMIT-LPYMAVHISA-N -1 3 380.403 3.948 20 30 GHEDHM C=CCOc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000916320752 888922992 /nfs/dbraw/zinc/92/29/92/888922992.db2.gz ISTWIXBHNQFBBD-SFHVURJKSA-N -1 3 394.456 3.526 20 30 GHEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)cc2-n2cncn2)c(OC)cc1[O-] ZINC000794941570 889001083 /nfs/dbraw/zinc/00/10/83/889001083.db2.gz REEUQTNMTONMSL-XQRVVYSFSA-N -1 3 385.807 3.540 20 30 GHEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000121714879 889099652 /nfs/dbraw/zinc/09/96/52/889099652.db2.gz MCRWVZZSNAMAIL-SFHVURJKSA-N -1 3 399.385 3.521 20 30 GHEDHM C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275321973 913321068 /nfs/dbraw/zinc/32/10/68/913321068.db2.gz NXENBCNWMXOJCS-LJQANCHMSA-N -1 3 397.302 3.616 20 30 GHEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000811186793 889271181 /nfs/dbraw/zinc/27/11/81/889271181.db2.gz YOISFQSDFCZHEO-ZDUSSCGKSA-N -1 3 399.472 3.632 20 30 GHEDHM Cc1oc(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c(C#N)c1C ZINC000811393524 889534574 /nfs/dbraw/zinc/53/45/74/889534574.db2.gz LQPNWBPCWWIJFE-UHFFFAOYSA-N -1 3 377.809 3.760 20 30 GHEDHM Cc1cc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c(C#N)cc1N(C)C ZINC000811833097 890018776 /nfs/dbraw/zinc/01/87/76/890018776.db2.gz LXTPHNNEKYFYCJ-FPLPWBNLSA-N -1 3 375.881 3.999 20 30 GHEDHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000173616540 890199722 /nfs/dbraw/zinc/19/97/22/890199722.db2.gz LAWFIBUUAPEYDZ-VLIAUNLRSA-N -1 3 395.503 3.951 20 30 GHEDHM COC(=O)c1ccc(C=CC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)o1 ZINC000870454014 890361319 /nfs/dbraw/zinc/36/13/19/890361319.db2.gz DBVDJSSUYPFNBK-IZPAUZPXSA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1ccc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)o1 ZINC000870454014 890361333 /nfs/dbraw/zinc/36/13/33/890361333.db2.gz DBVDJSSUYPFNBK-IZPAUZPXSA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1coc(C=CC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)c1 ZINC000870454608 890361594 /nfs/dbraw/zinc/36/15/94/890361594.db2.gz NCGPCDSVCRRAJQ-LQYUOIDQSA-N -1 3 383.425 3.611 20 30 GHEDHM COC(=O)c1coc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)c1 ZINC000870454608 890361608 /nfs/dbraw/zinc/36/16/08/890361608.db2.gz NCGPCDSVCRRAJQ-LQYUOIDQSA-N -1 3 383.425 3.611 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000916905240 890401167 /nfs/dbraw/zinc/40/11/67/890401167.db2.gz JHFWHMDJRDYFBY-LLVKDONJSA-N -1 3 391.210 3.726 20 30 GHEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1Cc1ccccc1 ZINC000916910841 890410611 /nfs/dbraw/zinc/41/06/11/890410611.db2.gz JCOKONDBGUYXFL-INIZCTEOSA-N -1 3 392.846 3.854 20 30 GHEDHM C=C(C)[C@@H](CC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)OCC ZINC000871316205 890751193 /nfs/dbraw/zinc/75/11/93/890751193.db2.gz RWQDSLYZEUDLFA-WMLDXEAASA-N -1 3 398.425 3.557 20 30 GHEDHM COC(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000130489319 890844456 /nfs/dbraw/zinc/84/44/56/890844456.db2.gz XBLAYXDGGYMTDR-OAHLLOKOSA-N -1 3 391.210 3.741 20 30 GHEDHM C=C(Cl)C[C@H](N)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000871781241 891009330 /nfs/dbraw/zinc/00/93/30/891009330.db2.gz OBXGWYZQAGGGAB-JTQLQIEISA-N -1 3 388.649 3.746 20 30 GHEDHM CC(C)(C)OC(=O)NC(=CNNc1ccc(C(=O)[O-])cc1)CC(F)(F)F ZINC000814680806 893064549 /nfs/dbraw/zinc/06/45/49/893064549.db2.gz JASKMQAUOKDCMA-LBPRGKRZSA-N -1 3 375.347 3.628 20 30 GHEDHM CC(C)c1cnc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000814741865 893136461 /nfs/dbraw/zinc/13/64/61/893136461.db2.gz SAADRFIUZQLQLH-ZDUSSCGKSA-N -1 3 387.490 3.541 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cccc(C2CC2)c1 ZINC000817324191 895509251 /nfs/dbraw/zinc/50/92/51/895509251.db2.gz VBITVOFYZMWVLT-SFHVURJKSA-N -1 3 378.457 3.839 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1ccc(OCC(F)(F)F)cc1 ZINC001135989088 895845116 /nfs/dbraw/zinc/84/51/16/895845116.db2.gz UYTMKNQCLDXQDP-UHFFFAOYSA-N -1 3 384.304 3.908 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1OC(F)F ZINC000826215244 896356639 /nfs/dbraw/zinc/35/66/39/896356639.db2.gz JZBZUGBJECOBNH-VURMDHGXSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1OC(F)F ZINC000826215244 896356657 /nfs/dbraw/zinc/35/66/57/896356657.db2.gz JZBZUGBJECOBNH-VURMDHGXSA-N -1 3 390.321 3.512 20 30 GHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000041518924 896367571 /nfs/dbraw/zinc/36/75/71/896367571.db2.gz XZIUHHDBEISWRK-INIZCTEOSA-N -1 3 395.444 3.711 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 ZINC000820482378 897352421 /nfs/dbraw/zinc/35/24/21/897352421.db2.gz IIAHINMAMJBQJC-MRXNPFEDSA-N -1 3 397.233 3.910 20 30 GHEDHM N#Cc1cc(NC(=O)CCCCCCCNC(=O)c2ccccc2O)ccc1[O-] ZINC001185933306 914212491 /nfs/dbraw/zinc/21/24/91/914212491.db2.gz LQILKWUBRBYKJL-UHFFFAOYSA-N -1 3 395.459 3.679 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000155856137 899143016 /nfs/dbraw/zinc/14/30/16/899143016.db2.gz WPUCSBCGRCBQEP-UHFFFAOYSA-N -1 3 399.494 3.822 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(C(F)(F)F)c1 ZINC000156157572 899449356 /nfs/dbraw/zinc/44/93/56/899449356.db2.gz ZJRCDRDGQFLUFG-SNVBAGLBSA-N -1 3 399.350 3.525 20 30 GHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000570738125 899548399 /nfs/dbraw/zinc/54/83/99/899548399.db2.gz UAFSNWWVEQFAOJ-CYBMUJFWSA-N -1 3 379.707 3.709 20 30 GHEDHM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570813676 899610907 /nfs/dbraw/zinc/61/09/07/899610907.db2.gz GRJQOQAWNGOBGJ-NSHDSACASA-N -1 3 390.365 3.633 20 30 GHEDHM N#CC(=C([O-])c1ccc(CNC(=O)C2CCCC2)cc1)c1cnc2ccccc2n1 ZINC000572907701 900306248 /nfs/dbraw/zinc/30/62/48/900306248.db2.gz NAAIPUMDLGDQEB-IBGZPJMESA-N -1 3 398.466 3.926 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000047370718 901932212 /nfs/dbraw/zinc/93/22/12/901932212.db2.gz YMEDVPYRICBDRM-JOCHJYFZSA-N -1 3 395.478 3.983 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000845842501 902459623 /nfs/dbraw/zinc/45/96/23/902459623.db2.gz UHHRKVHZUIQMED-IPMKNSEASA-N -1 3 387.435 3.571 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(SC(=O)N(C)C)c1 ZINC000264195716 902910281 /nfs/dbraw/zinc/91/02/81/902910281.db2.gz STQMPPYHBPSIRQ-UHFFFAOYSA-N -1 3 398.488 3.621 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000159787990 904099906 /nfs/dbraw/zinc/09/99/06/904099906.db2.gz SUXKSXXHHWDGMG-HNNXBMFYSA-N -1 3 394.793 3.897 20 30 GHEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cccc2)cc1 ZINC001148696752 904157291 /nfs/dbraw/zinc/15/72/91/904157291.db2.gz UALUOCJPAOLZHK-UHFFFAOYSA-N -1 3 389.333 3.942 20 30 GHEDHM Cc1ccc(CC(=O)[N-]OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000266997271 909362185 /nfs/dbraw/zinc/36/21/85/909362185.db2.gz FDIFHXCJDRKZOP-INIZCTEOSA-N -1 3 397.500 3.618 20 30 GHEDHM Cc1ccc(CSc2nc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)n[n-]2)cc1 ZINC001180832128 910367541 /nfs/dbraw/zinc/36/75/41/910367541.db2.gz AZPKTLBHMBGKKV-AWEZNQCLSA-N -1 3 393.472 3.683 20 30 GHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773977843 911189488 /nfs/dbraw/zinc/18/94/88/911189488.db2.gz ZNBHCWJSVNEJCB-KRWDZBQOSA-N -1 3 378.819 3.546 20 30 GHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001182523763 911853327 /nfs/dbraw/zinc/85/33/27/911853327.db2.gz FHHSSTGFLHSOKO-UHFFFAOYSA-N -1 3 384.382 3.643 20 30 GHEDHM CCc1nc2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2nc1CC ZINC000642280991 911936209 /nfs/dbraw/zinc/93/62/09/911936209.db2.gz WPJYVLHRHZFFBA-HNNXBMFYSA-N -1 3 388.475 3.563 20 30 GHEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1Cl ZINC001187044566 914980008 /nfs/dbraw/zinc/98/00/08/914980008.db2.gz VJOLIZBUVPQIRB-UHFFFAOYSA-N -1 3 376.652 3.855 20 30 GHEDHM COc1ccc(Cl)cc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1cccnc1C#N ZINC001187157135 915036704 /nfs/dbraw/zinc/03/67/04/915036704.db2.gz UGWRGPJOOAJNIS-OAHLLOKOSA-N -1 3 393.896 3.681 20 30 GHEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1C#N ZINC001187468275 915278980 /nfs/dbraw/zinc/27/89/80/915278980.db2.gz DOANEXPBPYQPHY-UHFFFAOYSA-N -1 3 386.473 3.927 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(-c3cnco3)c2)c(C)c1[O-] ZINC001188957423 916310977 /nfs/dbraw/zinc/31/09/77/916310977.db2.gz VLSCHBZSFISFIU-UHFFFAOYSA-N -1 3 391.383 3.656 20 30 GHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2cncc(C(F)(F)F)c2)C2CC2)c1 ZINC001190677592 917506546 /nfs/dbraw/zinc/50/65/46/917506546.db2.gz PJKCROFVLJKTCI-MRXNPFEDSA-N -1 3 399.369 3.541 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccccc2N2CCCC2)c(C)c1[O-] ZINC001191230153 917866051 /nfs/dbraw/zinc/86/60/51/917866051.db2.gz LRUOIAGCVMRIIG-UHFFFAOYSA-N -1 3 393.443 3.602 20 30 GHEDHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Br ZINC001191828877 918252298 /nfs/dbraw/zinc/25/22/98/918252298.db2.gz KECONLYAPPLPBP-UHFFFAOYSA-N -1 3 395.278 3.829 20 30 GHEDHM CN(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(Cl)n1 ZINC000113653303 919374682 /nfs/dbraw/zinc/37/46/82/919374682.db2.gz KHKAPIXCLBHFCB-LLVKDONJSA-N -1 3 395.221 3.555 20 30 GHEDHM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000007674042 919740447 /nfs/dbraw/zinc/74/04/47/919740447.db2.gz MDPHHJXOEUFKOQ-KRWDZBQOSA-N -1 3 394.471 3.536 20 30 GHEDHM C[C@H]1CCc2sc([N-]C(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@H]1C ZINC000297915145 919955254 /nfs/dbraw/zinc/95/52/54/919955254.db2.gz RTNCXLZDIFWQFT-RYUDHWBXSA-N -1 3 381.461 3.791 20 30 GHEDHM CC(C)NS(=O)(=O)c1cccc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901367421 921042524 /nfs/dbraw/zinc/04/25/24/921042524.db2.gz DTEKOKYTIGNLEJ-UHFFFAOYSA-N -1 3 398.484 3.558 20 30 GHEDHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369675 921046568 /nfs/dbraw/zinc/04/65/68/921046568.db2.gz DSWMDIHXMIAKHV-SFHVURJKSA-N -1 3 386.517 3.895 20 30 GHEDHM O=C(c1nc(N2CCCC2)ncc1Cl)N([O-])Cc1cccc2ccccc21 ZINC000901370907 921047808 /nfs/dbraw/zinc/04/78/08/921047808.db2.gz NVKLTLUIZDMUHT-UHFFFAOYSA-N -1 3 382.851 3.915 20 30 GHEDHM O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N([O-])Cc1ccc(F)cc1 ZINC000901376146 921054246 /nfs/dbraw/zinc/05/42/46/921054246.db2.gz OVYHVBVADQBYDB-UHFFFAOYSA-N -1 3 375.787 3.880 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N([O-])Cc1ccc(F)cc1 ZINC000901376810 921054465 /nfs/dbraw/zinc/05/44/65/921054465.db2.gz YHAMALKXUUXXTP-QGZVFWFLSA-N -1 3 378.403 3.750 20 30 GHEDHM C[C@@H]1Oc2ccccc2N(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000901379685 921056636 /nfs/dbraw/zinc/05/66/36/921056636.db2.gz CATNQUDTIXMLAQ-NSHDSACASA-N -1 3 395.242 3.525 20 30 GHEDHM O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379573 921057365 /nfs/dbraw/zinc/05/73/65/921057365.db2.gz IRNPEAGGFFOYEB-HNNXBMFYSA-N -1 3 393.270 3.760 20 30 GHEDHM Cc1ccc(-n2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)nn2)cc1 ZINC000901380281 921058497 /nfs/dbraw/zinc/05/84/97/921058497.db2.gz RMZRBLSHPQWKQG-UHFFFAOYSA-N -1 3 377.231 3.914 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000370637372 924222461 /nfs/dbraw/zinc/22/24/61/924222461.db2.gz UTQDFBPAVHXMDA-SFHVURJKSA-N -1 3 397.450 3.766 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000409993455 925215188 /nfs/dbraw/zinc/21/51/88/925215188.db2.gz PDNMSHFSPWDZHL-UHFFFAOYSA-N -1 3 375.831 3.659 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000410384323 925590264 /nfs/dbraw/zinc/59/02/64/925590264.db2.gz UGRVBXVSKRRDNG-XUSGNXJCSA-N -1 3 383.879 3.913 20 30 GHEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)c2ccc([O-])cc2)c1C#N ZINC000012256470 926228364 /nfs/dbraw/zinc/22/83/64/926228364.db2.gz VTDJHTLTSRBZEZ-UHFFFAOYSA-N -1 3 381.432 3.593 20 30 GHEDHM COc1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cc1NC(C)=O ZINC000726428042 926659075 /nfs/dbraw/zinc/65/90/75/926659075.db2.gz DDOIKRQKZUBOMK-XQRVVYSFSA-N -1 3 375.808 3.917 20 30 GHEDHM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000374593328 927319531 /nfs/dbraw/zinc/31/95/31/927319531.db2.gz IRQDOWAIXAOXAF-QKKBWIMNSA-N -1 3 393.487 3.827 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(c2ccc(C)cc2)C(C)C)ccc1F ZINC000751131782 928042296 /nfs/dbraw/zinc/04/22/96/928042296.db2.gz JNQMYERIDZNQDZ-UHFFFAOYSA-N -1 3 390.480 3.654 20 30 GHEDHM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)C1=Cc2cc(OC)ccc2CC1 ZINC000758168212 929958257 /nfs/dbraw/zinc/95/82/57/929958257.db2.gz OHIPEJKUWVJOQK-UHFFFAOYSA-N -1 3 387.432 3.575 20 30 GHEDHM CC(C)c1ncc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000758364056 930022695 /nfs/dbraw/zinc/02/26/95/930022695.db2.gz GNOXKVDSFDOJGH-AWEZNQCLSA-N -1 3 387.490 3.541 20 30 GHEDHM O=C(C/N=C\c1cc(Br)ccc1[O-])OCc1ccc(Cl)cc1 ZINC000783684338 931617196 /nfs/dbraw/zinc/61/71/96/931617196.db2.gz FBIAIIJDFPQERE-UWVJOHFNSA-N -1 3 382.641 3.970 20 30 GHEDHM COc1ccccc1CO[N-]C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000799182850 932902690 /nfs/dbraw/zinc/90/26/90/932902690.db2.gz QDZWPJXEOBZJRK-UHFFFAOYSA-N -1 3 394.456 3.867 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(OC(C)C)CC1 ZINC001121572948 934701683 /nfs/dbraw/zinc/70/16/83/934701683.db2.gz VHWOBEDNZPUABU-UHFFFAOYSA-N -1 3 399.520 3.840 20 30 GHEDHM C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC ZINC001121666292 934732184 /nfs/dbraw/zinc/73/21/84/934732184.db2.gz OJOISLOTKYBNLP-UHFFFAOYSA-N -1 3 390.900 3.677 20 30 GHEDHM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)n1 ZINC001122624696 934924404 /nfs/dbraw/zinc/92/44/04/934924404.db2.gz LKOXJAVGXWCPFC-CYBMUJFWSA-N -1 3 383.864 3.587 20 30 GHEDHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N)=C2 ZINC000829906448 935880551 /nfs/dbraw/zinc/88/05/51/935880551.db2.gz KMARAWYJHYGJCB-AWEZNQCLSA-N -1 3 384.457 3.715 20 30 GHEDHM C#Cc1cncc(C(=O)Nc2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC001573292220 946927875 /nfs/dbraw/zinc/92/78/75/946927875.db2.gz QCOKODQVIDKARE-UHFFFAOYSA-N -1 3 398.451 3.647 20 30 GHEDHM C#Cc1cncc(C(=O)Nc2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC001573292220 946927886 /nfs/dbraw/zinc/92/78/86/946927886.db2.gz QCOKODQVIDKARE-UHFFFAOYSA-N -1 3 398.451 3.647 20 30 GHEDHM C=CC[C@@H]1N(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CCCC1(C)C ZINC001573329611 947423698 /nfs/dbraw/zinc/42/36/98/947423698.db2.gz LQLBCDNTEIVPEN-HNNXBMFYSA-N -1 3 376.411 3.744 20 30 GHEDHM C=CC[C@@H]1N(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CCCC1(C)C ZINC001573329611 947423707 /nfs/dbraw/zinc/42/37/07/947423707.db2.gz LQLBCDNTEIVPEN-HNNXBMFYSA-N -1 3 376.411 3.744 20 30 GHEDHM C=CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CCC)CCC ZINC001573334887 947467503 /nfs/dbraw/zinc/46/75/03/947467503.db2.gz JAGCWIAPKIMQPL-UHFFFAOYSA-N -1 3 380.500 3.718 20 30 GHEDHM C=CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CCC)CCC ZINC001573334887 947467508 /nfs/dbraw/zinc/46/75/08/947467508.db2.gz JAGCWIAPKIMQPL-UHFFFAOYSA-N -1 3 380.500 3.718 20 30 GHEDHM CCN(Cc1ccccc1)c1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001596371057 983866952 /nfs/dbraw/zinc/86/69/52/983866952.db2.gz DMPZOYHYZNTNNZ-UHFFFAOYSA-N -1 3 377.488 3.903 20 30 GHEDHM C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001588901643 984524933 /nfs/dbraw/zinc/52/49/33/984524933.db2.gz YFEGCKIXIBZDKF-CQSZACIVSA-N -1 3 390.509 3.637 20 30 GHEDHM Cc1cc(C)c(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c(C)c1 ZINC000545023055 1015377218 /nfs/dbraw/zinc/37/72/18/1015377218.db2.gz PWSYZDZAZTUBKB-UHFFFAOYSA-N -1 3 376.460 3.960 20 30 GHEDHM CN(Cc1ccc(C#N)c(F)c1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598520118 992669581 /nfs/dbraw/zinc/66/95/81/992669581.db2.gz YWKIMORMBUBGSD-INIZCTEOSA-N -1 3 377.213 3.718 20 30 GHEDHM CC(C)(C)OC(=O)n1c(C(=O)N([O-])C(=N)c2ccccc2N)cc2ccccc21 ZINC001154892711 1032331275 /nfs/dbraw/zinc/33/12/75/1032331275.db2.gz YAGYWTVXCAGJST-UHFFFAOYSA-N -1 3 394.431 3.864 20 30 GHEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938478 1032705591 /nfs/dbraw/zinc/70/55/91/1032705591.db2.gz VKKAGNSLQFYVEQ-OAHLLOKOSA-N -1 3 384.428 3.994 20 30 GHEDHM [O-]N=C(N[C@@H](F)Oc1ccc(Cl)nc1)c1ccc(OC(F)(F)F)cc1 ZINC001155909097 1032784353 /nfs/dbraw/zinc/78/43/53/1032784353.db2.gz IHLALGMMOXCDMZ-CYBMUJFWSA-N -1 3 379.697 3.691 20 30 GHEDHM [O-]N=C(Nc1cc(-c2ccncc2)ncn1)c1ccc(OC(F)(F)F)cc1 ZINC001155914289 1032791180 /nfs/dbraw/zinc/79/11/80/1032791180.db2.gz LOXLMACTAWHHNN-UHFFFAOYSA-N -1 3 375.310 3.685 20 30 GHEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000836548680 1023102818 /nfs/dbraw/zinc/10/28/18/1023102818.db2.gz RVYMNUATKRHVMF-UHFFFAOYSA-N -1 3 383.404 3.745 20 30 GHEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000836548680 1023102827 /nfs/dbraw/zinc/10/28/27/1023102827.db2.gz RVYMNUATKRHVMF-UHFFFAOYSA-N -1 3 383.404 3.745 20 30 GHEDHM C#CC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)c1ccccc1 ZINC000756976212 1023894731 /nfs/dbraw/zinc/89/47/31/1023894731.db2.gz RNVGMXYNDGBUJS-MRXNPFEDSA-N -1 3 399.493 3.731 20 30 GHEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1cc(O)cc([O-])c1Br ZINC001229097219 1033277191 /nfs/dbraw/zinc/27/71/91/1033277191.db2.gz QSWHBTLNDMGBGF-GFCCVEGCSA-N -1 3 383.625 3.973 20 30 GHEDHM CCOC(=O)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cnc1C ZINC001163769253 1026310542 /nfs/dbraw/zinc/31/05/42/1026310542.db2.gz UIJLAZSENVGFAU-UHFFFAOYSA-N -1 3 383.326 3.713 20 30 GHEDHM COC(=O)c1nc2cccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c2o1 ZINC001163771041 1026311847 /nfs/dbraw/zinc/31/18/47/1026311847.db2.gz WHRGEXUXIDRLFW-UHFFFAOYSA-N -1 3 395.293 3.761 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C(F)(F)F)s1 ZINC000834354193 1026947022 /nfs/dbraw/zinc/94/70/22/1026947022.db2.gz BGYPQNKLGGGBNF-UHFFFAOYSA-N -1 3 383.395 3.605 20 30 GHEDHM CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cc2C1 ZINC001153281326 1031519759 /nfs/dbraw/zinc/51/97/59/1031519759.db2.gz HVSTYXKCSPAHPZ-UHFFFAOYSA-N -1 3 379.416 3.767 20 30 GHEDHM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599741 1032035826 /nfs/dbraw/zinc/03/58/26/1032035826.db2.gz NDRYPONBXKRGOC-CQSZACIVSA-N -1 3 390.313 3.977 20 30 GHEDHM N#Cc1ccc(-c2ccccc2NC(=O)c2ccc3c(=O)[n-][nH]c(=O)c3c2)cc1 ZINC001154319425 1032040676 /nfs/dbraw/zinc/04/06/76/1032040676.db2.gz OZSJQLIQWSLLDR-UHFFFAOYSA-N -1 3 382.379 3.832 20 30 GHEDHM N#Cc1ccc(-c2ccccc2NC(=O)c2ccc3c(=O)[nH][n-]c(=O)c3c2)cc1 ZINC001154319425 1032040701 /nfs/dbraw/zinc/04/07/01/1032040701.db2.gz OZSJQLIQWSLLDR-UHFFFAOYSA-N -1 3 382.379 3.832 20 30 GHEDHM C=C1O[C@H](C)C(=O)C1Oc1ccc(C=CC(=O)c2ccccc2[O-])cc1OC ZINC001229409043 1033465291 /nfs/dbraw/zinc/46/52/91/1033465291.db2.gz ZILMFPDYDOVTNU-AORWBKJGSA-N -1 3 380.396 3.895 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(C#Cc3ccccc3)CC2)n1 ZINC001157528059 1033641888 /nfs/dbraw/zinc/64/18/88/1033641888.db2.gz GUTMOYNEYKGXDC-FYJGNVAPSA-N -1 3 386.908 3.928 20 30 GHEDHM COC(=O)c1cc2c(OC)[n-]c(N[C@](C)(C#N)c3ccccc3Cl)cc-2n1 ZINC001158476821 1034098057 /nfs/dbraw/zinc/09/80/57/1034098057.db2.gz BKLCCLUIBSNENT-LJQANCHMSA-N -1 3 384.823 3.862 20 30 GHEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCc2c(=O)[nH]c(C)c3c2CCCC3)n1 ZINC001158493185 1034109036 /nfs/dbraw/zinc/10/90/36/1034109036.db2.gz ONCVHSXRUYFBTR-DNTJNYDQSA-N -1 3 393.900 3.560 20 30 GHEDHM C=CCOc1ccc(Br)cc1NC(=O)c1cc(OC)ccc1[O-] ZINC001161336063 1035210778 /nfs/dbraw/zinc/21/07/78/1035210778.db2.gz KQYNRPUNXYNKER-UHFFFAOYSA-N -1 3 378.222 3.980 20 30 GHEDHM CCCCN(CCC#N)Cc1ccc(OC)c(I)c1[O-] ZINC001248489959 1035912369 /nfs/dbraw/zinc/91/23/69/1035912369.db2.gz RUBJBRQTZPQUIO-UHFFFAOYSA-N -1 3 388.249 3.521 20 30 GHEDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(C#N)ccc2[O-])C[C@@H]1C(F)(F)F ZINC001232677333 1038476044 /nfs/dbraw/zinc/47/60/44/1038476044.db2.gz AYGMVZLDUMRJAI-LSDHHAIUSA-N -1 3 399.413 3.541 20 30 GHEDHM N#Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)c([O-])c1 ZINC001233386143 1039210958 /nfs/dbraw/zinc/21/09/58/1039210958.db2.gz HPFAFEMROHARQS-UHFFFAOYSA-N -1 3 396.800 3.653 20 30 GHEDHM CCC#C[C@@H](C)Oc1c(OC)cc2c([O-])c3c(=O)cc(OC)cc-3oc2c1OC ZINC001234758722 1040287751 /nfs/dbraw/zinc/28/77/51/1040287751.db2.gz VMMDRGNLIWNPRG-GFCCVEGCSA-N -1 3 398.411 3.858 20 30 GHEDHM CCC#C[C@@H](C)Oc1c(OC)cc2c(=O)c3c([O-])cc(OC)cc3oc2c1OC ZINC001234758722 1040287768 /nfs/dbraw/zinc/28/77/68/1040287768.db2.gz VMMDRGNLIWNPRG-GFCCVEGCSA-N -1 3 398.411 3.858 20 30 GHEDHM C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(Br)c([O-])c1)C2 ZINC001236685340 1041831175 /nfs/dbraw/zinc/83/11/75/1041831175.db2.gz UHSPVJGOSWXIRR-RBUKOAKNSA-N -1 3 396.325 3.728 20 30 GHEDHM C#CC[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1ccccc1 ZINC001295200787 1044947481 /nfs/dbraw/zinc/94/74/81/1044947481.db2.gz YYWZQSFZNCWMBL-QGZVFWFLSA-N -1 3 395.256 3.785 20 30 GHEDHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1Br ZINC001259417702 1045136860 /nfs/dbraw/zinc/13/68/60/1045136860.db2.gz OVLLVJREIXHDGL-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1F)c1cc(F)c(F)c(F)c1 ZINC001259500267 1045205724 /nfs/dbraw/zinc/20/57/24/1045205724.db2.gz LYQPBFLHMIRBBN-UHFFFAOYSA-N -1 3 389.248 3.942 20 30 GHEDHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(F)c1 ZINC001260045118 1045370134 /nfs/dbraw/zinc/37/01/34/1045370134.db2.gz BPMVZGUXELBTMN-UHFFFAOYSA-N -1 3 390.436 3.595 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1c(Cl)cccc1Cl ZINC001298599108 1045886558 /nfs/dbraw/zinc/88/65/58/1045886558.db2.gz AYOKRKNCOWJFKT-CQSZACIVSA-N -1 3 385.197 3.807 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001263286060 1046681063 /nfs/dbraw/zinc/68/10/63/1046681063.db2.gz UMRSVYKVEVLHHF-JOCHJYFZSA-N -1 3 390.491 3.841 20 30 GHEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3cc4ccnc(Cl)c4s3)n[nH]2)c1 ZINC001306909178 1048956119 /nfs/dbraw/zinc/95/61/19/1048956119.db2.gz GSSCNDGJVVUKFM-UHFFFAOYSA-N -1 3 380.820 3.859 20 30 GHEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)nc21 ZINC001289643613 1049573266 /nfs/dbraw/zinc/57/32/66/1049573266.db2.gz GCCAEWJODPIYSY-UHFFFAOYSA-N -1 3 394.406 3.667 20 30 GHEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc(COC)c1 ZINC001329650665 1050872555 /nfs/dbraw/zinc/87/25/55/1050872555.db2.gz ZFMHHOZYBZOFJL-UHFFFAOYSA-N -1 3 395.484 3.743 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C#N)CC1 ZINC001342280026 1053068067 /nfs/dbraw/zinc/06/80/67/1053068067.db2.gz IOSMRLOFTYHISU-UHFFFAOYSA-N -1 3 380.477 3.576 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001342521560 1053215291 /nfs/dbraw/zinc/21/52/91/1053215291.db2.gz HDMVXNSZZOPIEE-CYBMUJFWSA-N -1 3 382.443 3.662 20 30 GHEDHM CC(C)(C)OC(=O)N1CCOc2c(cccc2C([O-])=C(C#N)c2ccccn2)C1 ZINC001342709050 1053313022 /nfs/dbraw/zinc/31/30/22/1053313022.db2.gz WAUVFLXIMDHQCY-QGZVFWFLSA-N -1 3 393.443 3.701 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001343286410 1053677855 /nfs/dbraw/zinc/67/78/55/1053677855.db2.gz FPGHJLXGWUHUCO-QAPCUYQASA-N -1 3 390.491 3.708 20 30 GHEDHM COc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc(OC)c1C(C)C ZINC001343367212 1053730166 /nfs/dbraw/zinc/73/01/66/1053730166.db2.gz SWWGGKDYSPVQTG-HNNXBMFYSA-N -1 3 390.443 3.843 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001343406237 1053754052 /nfs/dbraw/zinc/75/40/52/1053754052.db2.gz TWSVHHOPNJUEIF-GOSISDBHSA-N -1 3 376.464 3.667 20 30 GHEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@H](c2ccccc2)C1 ZINC001343735382 1053991112 /nfs/dbraw/zinc/99/11/12/1053991112.db2.gz WUPWWBVPEGDQPQ-INIZCTEOSA-N -1 3 383.477 3.509 20 30 GHEDHM COC[C@H](C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccc1C ZINC001317748175 1054244476 /nfs/dbraw/zinc/24/44/76/1054244476.db2.gz DSAPEQQLGOMRKC-HNNXBMFYSA-N -1 3 397.500 3.754 20 30 GHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(N2CCN(C)CC2)c(F)c1 ZINC001317891526 1054293998 /nfs/dbraw/zinc/29/39/98/1054293998.db2.gz YBUCGIQSEKWEGK-WZMONFQBSA-N -1 3 384.426 3.806 20 30 GHEDHM [O-]c1cc(O)ccc1-c1csc(=Nc2ccccn2)n1N=Cc1cccnc1 ZINC001319321304 1055180503 /nfs/dbraw/zinc/18/05/03/1055180503.db2.gz GAWZTJMWRASANF-UHFFFAOYSA-N -1 3 389.440 3.532 20 30 GHEDHM N#CC[C@H]1CCCN(c2nnc(CCc3cccc(Cl)c3[O-])n2CC2CC2)C1 ZINC001345882600 1055310789 /nfs/dbraw/zinc/31/07/89/1055310789.db2.gz RWBVCJLIGSVINV-OAHLLOKOSA-N -1 3 399.926 3.962 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(-c3cccc(Cl)c3)o2)ccc1F ZINC001322135999 1056534401 /nfs/dbraw/zinc/53/44/01/1056534401.db2.gz HRSZXBKWBDEUEX-UHFFFAOYSA-N -1 3 393.827 3.660 20 30 GHEDHM O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N([O-])CCCCc1ccccc1 ZINC001472619270 1056573763 /nfs/dbraw/zinc/57/37/63/1056573763.db2.gz DVPCIPMNQOMCGT-CBNMVNINSA-N -1 3 375.509 3.982 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(F)cc(C(=O)OC)c1 ZINC001356254180 1057448666 /nfs/dbraw/zinc/44/86/66/1057448666.db2.gz RWUNDWIGKDBZCQ-GOSISDBHSA-N -1 3 396.418 3.698 20 30 GHEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(CC#N)CC1 ZINC001357192763 1057630393 /nfs/dbraw/zinc/63/03/93/1057630393.db2.gz ZQIQHBPPURBDKF-UHFFFAOYSA-N -1 3 394.504 3.967 20 30 GHEDHM COCC[C@@H]1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2ccccc21 ZINC001337893515 1058315101 /nfs/dbraw/zinc/31/51/01/1058315101.db2.gz OQILQZPQQXZASY-KRWDZBQOSA-N -1 3 393.487 3.765 20 30 GHEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001440000624 1058382441 /nfs/dbraw/zinc/38/24/41/1058382441.db2.gz XPUNVTBFLUUUQZ-UHFFFAOYSA-N -1 3 395.415 3.565 20 30 GHEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001442473802 1058966860 /nfs/dbraw/zinc/96/68/60/1058966860.db2.gz PIKCMYAPYAARIW-UHFFFAOYSA-N -1 3 393.428 3.524 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC=C(c2cccc(C)c2)CC1 ZINC001339196011 1059004164 /nfs/dbraw/zinc/00/41/64/1059004164.db2.gz KDRPYALVDIJZBN-UHFFFAOYSA-N -1 3 388.475 3.537 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1c1cc(C)ccc1C ZINC001339196760 1059004390 /nfs/dbraw/zinc/00/43/90/1059004390.db2.gz OSCLKNOZRIGPRO-IBGZPJMESA-N -1 3 390.491 3.893 20 30 GHEDHM COC(=O)[C@]1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)C[C@@H]1c1ccccc1 ZINC001346146850 1061402473 /nfs/dbraw/zinc/40/24/73/1061402473.db2.gz BCDIIIFAUHKRHH-QMTMVMCOSA-N -1 3 388.345 3.624 20 30 GHEDHM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])CCCCc1ccccc1 ZINC001458010525 1063505186 /nfs/dbraw/zinc/50/51/86/1063505186.db2.gz VBQXMUAZEQTOLK-KRWDZBQOSA-N -1 3 396.553 3.874 20 30 GHEDHM CC[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)CC(F)(F)F ZINC001463894302 1064701326 /nfs/dbraw/zinc/70/13/26/1064701326.db2.gz OMEAFMDLRFKIAW-SECBINFHSA-N -1 3 399.232 3.578 20 30 GHEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001352063883 1064802941 /nfs/dbraw/zinc/80/29/41/1064802941.db2.gz WNMBHIZNUCWDQO-AUUYWEPGSA-N -1 3 376.464 3.523 20 30 GHEDHM CC(C)(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000847623645 1065778241 /nfs/dbraw/zinc/77/82/41/1065778241.db2.gz CWQRHIDDYLVULM-NSHDSACASA-N -1 3 379.247 3.906 20 30 GHEDHM COc1ccc(N2CC[C@@H](/N=C\c3cc(Br)ccc3[O-])C2)cc1 ZINC000849170158 1067751726 /nfs/dbraw/zinc/75/17/26/1067751726.db2.gz LQRWXZCCUPGGKF-UWOKGBPVSA-N -1 3 375.266 3.861 20 30 GHEDHM O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N([O-])CCCCc1ccccc1 ZINC001472619338 1073579476 /nfs/dbraw/zinc/57/94/76/1073579476.db2.gz IHCCSFOACCRFII-UHFFFAOYSA-N -1 3 398.394 3.774 20 30 GHEDHM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C(C)(C)C ZINC001475352736 1074845013 /nfs/dbraw/zinc/84/50/13/1074845013.db2.gz KONDWYSTSWTJAG-LBPRGKRZSA-N -1 3 378.719 3.737 20 30 GHEDHM N#CCc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c(Cl)c1 ZINC001475544722 1074909732 /nfs/dbraw/zinc/90/97/32/1074909732.db2.gz DAUIUHGZSMPRPJ-UHFFFAOYSA-N -1 3 380.819 3.807 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(SC)cc1OC ZINC000737040951 599033229 /nfs/dbraw/zinc/03/32/29/599033229.db2.gz GXCFXBQMFPUFOG-CMDGGOBGSA-N -1 3 382.445 3.502 20 30 GHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(SC)cc1OC ZINC000737040951 599033231 /nfs/dbraw/zinc/03/32/31/599033231.db2.gz GXCFXBQMFPUFOG-CMDGGOBGSA-N -1 3 382.445 3.502 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737080977 599154783 /nfs/dbraw/zinc/15/47/83/599154783.db2.gz KCSWYLBFJAJBAY-WAPJZHGLSA-N -1 3 390.321 3.670 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737080977 599154785 /nfs/dbraw/zinc/15/47/85/599154785.db2.gz KCSWYLBFJAJBAY-WAPJZHGLSA-N -1 3 390.321 3.670 20 30 GHEDHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736393330 599190728 /nfs/dbraw/zinc/19/07/28/599190728.db2.gz WWYSAIMZBOLORB-SFHVURJKSA-N -1 3 390.447 3.658 20 30 GHEDHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736393330 599190730 /nfs/dbraw/zinc/19/07/30/599190730.db2.gz WWYSAIMZBOLORB-SFHVURJKSA-N -1 3 390.447 3.658 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc2sccc2c1=O ZINC000735442428 599286669 /nfs/dbraw/zinc/28/66/69/599286669.db2.gz BFQOMEDEIHZSCZ-LLVKDONJSA-N -1 3 396.501 3.677 20 30 GHEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc2sccc2c1=O ZINC000735442428 599286670 /nfs/dbraw/zinc/28/66/70/599286670.db2.gz BFQOMEDEIHZSCZ-LLVKDONJSA-N -1 3 396.501 3.677 20 30 GHEDHM Fc1cc(-c2nn[n-]n2)ccc1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000737640722 598240509 /nfs/dbraw/zinc/24/05/09/598240509.db2.gz NJQZHHXXMQWCDE-IUCAKERBSA-N -1 3 383.271 3.573 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2scnc2c1 ZINC000735418537 598292011 /nfs/dbraw/zinc/29/20/11/598292011.db2.gz GLRIIYXAQORDNY-UHFFFAOYSA-N -1 3 391.460 3.697 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2scnc2c1 ZINC000735418537 598292013 /nfs/dbraw/zinc/29/20/13/598292013.db2.gz GLRIIYXAQORDNY-UHFFFAOYSA-N -1 3 391.460 3.697 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203222 598378526 /nfs/dbraw/zinc/37/85/26/598378526.db2.gz SNTHIPVQVKCBFZ-FPLPWBNLSA-N -1 3 387.365 3.838 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203222 598378527 /nfs/dbraw/zinc/37/85/27/598378527.db2.gz SNTHIPVQVKCBFZ-FPLPWBNLSA-N -1 3 387.365 3.838 20 30 GHEDHM CC(Cc1ccc(Br)cc1F)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736057148 598492188 /nfs/dbraw/zinc/49/21/88/598492188.db2.gz UJCLVEGIAXSUJX-UHFFFAOYSA-N -1 3 389.232 3.799 20 30 GHEDHM CC(Cc1ccc(Br)cc1F)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736057148 598492189 /nfs/dbraw/zinc/49/21/89/598492189.db2.gz UJCLVEGIAXSUJX-UHFFFAOYSA-N -1 3 389.232 3.799 20 30 GHEDHM C[C@@H](C#N)CSc1ccccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735504718 598503308 /nfs/dbraw/zinc/50/33/08/598503308.db2.gz NVUZZEGNZJFOFC-HNNXBMFYSA-N -1 3 394.504 3.999 20 30 GHEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c2ccccc12 ZINC000737081961 598638984 /nfs/dbraw/zinc/63/89/84/598638984.db2.gz SKHOSXVJHOXONS-PKNBQFBNSA-N -1 3 399.454 3.981 20 30 GHEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c2ccccc12 ZINC000737081961 598638986 /nfs/dbraw/zinc/63/89/86/598638986.db2.gz SKHOSXVJHOXONS-PKNBQFBNSA-N -1 3 399.454 3.981 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000819743302 599317523 /nfs/dbraw/zinc/31/75/23/599317523.db2.gz GONWTUCCZITERQ-QPPBQGQZSA-N -1 3 399.498 3.676 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000819743302 599317525 /nfs/dbraw/zinc/31/75/25/599317525.db2.gz GONWTUCCZITERQ-QPPBQGQZSA-N -1 3 399.498 3.676 20 30 GHEDHM C=C(Cl)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735402281 599389681 /nfs/dbraw/zinc/38/96/81/599389681.db2.gz PKBGCQXTVIXUKC-UHFFFAOYSA-N -1 3 390.230 3.795 20 30 GHEDHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(Cl)c1 ZINC000820832150 599689751 /nfs/dbraw/zinc/68/97/51/599689751.db2.gz HKDOCVGFMXOPRH-ZRDIBKRKSA-N -1 3 378.823 3.824 20 30 GHEDHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(Cl)c1 ZINC000820832150 599689752 /nfs/dbraw/zinc/68/97/52/599689752.db2.gz HKDOCVGFMXOPRH-ZRDIBKRKSA-N -1 3 378.823 3.824 20 30 GHEDHM C=CCC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733852 607390260 /nfs/dbraw/zinc/39/02/60/607390260.db2.gz CPMNQHGKMDKIKY-KXBFYZLASA-N -1 3 376.464 3.934 20 30 GHEDHM C=CCC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733852 607390263 /nfs/dbraw/zinc/39/02/63/607390263.db2.gz CPMNQHGKMDKIKY-KXBFYZLASA-N -1 3 376.464 3.934 20 30 GHEDHM COc1sc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826222206 607528644 /nfs/dbraw/zinc/52/86/44/607528644.db2.gz NSHQRXXGNYDSTR-WAYWQWQTSA-N -1 3 391.250 3.595 20 30 GHEDHM COc1sc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826222206 607528645 /nfs/dbraw/zinc/52/86/45/607528645.db2.gz NSHQRXXGNYDSTR-WAYWQWQTSA-N -1 3 391.250 3.595 20 30 GHEDHM N#Cc1csc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)c1 ZINC000822845647 606496295 /nfs/dbraw/zinc/49/62/95/606496295.db2.gz ADLLEKCIJORFEZ-UHFFFAOYSA-N -1 3 378.442 3.781 20 30 GHEDHM N#Cc1csc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)c1 ZINC000822845647 606496296 /nfs/dbraw/zinc/49/62/96/606496296.db2.gz ADLLEKCIJORFEZ-UHFFFAOYSA-N -1 3 378.442 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000819743940 606537549 /nfs/dbraw/zinc/53/75/49/606537549.db2.gz TWFBZBGFJXYINR-NTCAYCPXSA-N -1 3 377.423 3.624 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000819743940 606537551 /nfs/dbraw/zinc/53/75/51/606537551.db2.gz TWFBZBGFJXYINR-NTCAYCPXSA-N -1 3 377.423 3.624 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822837205 606557424 /nfs/dbraw/zinc/55/74/24/606557424.db2.gz JJPIAZRIBCUDMW-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM N#Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822837205 606557426 /nfs/dbraw/zinc/55/74/26/606557426.db2.gz JJPIAZRIBCUDMW-UHFFFAOYSA-N -1 3 396.410 3.712 20 30 GHEDHM C#CCN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000819697913 606830980 /nfs/dbraw/zinc/83/09/80/606830980.db2.gz OCCJDSFXDCREQY-UHFFFAOYSA-N -1 3 386.459 3.628 20 30 GHEDHM C#CCCCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819692777 606955465 /nfs/dbraw/zinc/95/54/65/606955465.db2.gz KVZZDAQZHHSOSA-UHFFFAOYSA-N -1 3 395.850 3.846 20 30 GHEDHM C#CCCCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819692777 606955467 /nfs/dbraw/zinc/95/54/67/606955467.db2.gz KVZZDAQZHHSOSA-UHFFFAOYSA-N -1 3 395.850 3.846 20 30 GHEDHM N#CCCN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000822807124 607012412 /nfs/dbraw/zinc/01/24/12/607012412.db2.gz YXYBEMNJJDFPRE-UHFFFAOYSA-N -1 3 398.879 3.559 20 30 GHEDHM N#CCCN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000822807124 607012413 /nfs/dbraw/zinc/01/24/13/607012413.db2.gz YXYBEMNJJDFPRE-UHFFFAOYSA-N -1 3 398.879 3.559 20 30 GHEDHM C[C@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C)(C)C#N ZINC000824721863 607806327 /nfs/dbraw/zinc/80/63/27/607806327.db2.gz FLFRFRJUAHOARE-ZDUSSCGKSA-N -1 3 376.420 3.705 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Nc2cccc(C#N)n2)cc1 ZINC000826176587 607898269 /nfs/dbraw/zinc/89/82/69/607898269.db2.gz VNTMGTMRBCVZFQ-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2cccc(C#N)n2)cc1 ZINC000826176587 607898270 /nfs/dbraw/zinc/89/82/70/607898270.db2.gz VNTMGTMRBCVZFQ-UHFFFAOYSA-N -1 3 385.387 3.678 20 30 GHEDHM C=C(C)[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1)OCC ZINC000823873480 607922915 /nfs/dbraw/zinc/92/29/15/607922915.db2.gz MRLUPMFGFJWJEJ-FQEVSTJZSA-N -1 3 391.475 3.771 20 30 GHEDHM C=C(C)[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1)OCC ZINC000823873480 607922916 /nfs/dbraw/zinc/92/29/16/607922916.db2.gz MRLUPMFGFJWJEJ-FQEVSTJZSA-N -1 3 391.475 3.771 20 30 GHEDHM C[C@H](CC#N)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824385010 608075204 /nfs/dbraw/zinc/07/52/04/608075204.db2.gz JWSGPKYFGKKTMC-LLVKDONJSA-N -1 3 383.795 3.771 20 30 GHEDHM C[C@H](CC#N)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824385010 608075205 /nfs/dbraw/zinc/07/52/05/608075205.db2.gz JWSGPKYFGKKTMC-LLVKDONJSA-N -1 3 383.795 3.771 20 30 GHEDHM N#CC1(OC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000826380030 608075652 /nfs/dbraw/zinc/07/56/52/608075652.db2.gz KROAGJDZKDHCSG-UHFFFAOYSA-N -1 3 395.806 3.915 20 30 GHEDHM N#CC1(OC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000826380030 608075653 /nfs/dbraw/zinc/07/56/53/608075653.db2.gz KROAGJDZKDHCSG-UHFFFAOYSA-N -1 3 395.806 3.915 20 30 GHEDHM CC(=NNc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823958217 608094858 /nfs/dbraw/zinc/09/48/58/608094858.db2.gz FXMUASDVFGAZJD-UHFFFAOYSA-N -1 3 381.234 3.666 20 30 GHEDHM C#CCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000823837422 608296778 /nfs/dbraw/zinc/29/67/78/608296778.db2.gz DCBFALNWTJZHEO-UHFFFAOYSA-N -1 3 391.450 3.728 20 30 GHEDHM C#CCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000823837422 608296780 /nfs/dbraw/zinc/29/67/80/608296780.db2.gz DCBFALNWTJZHEO-UHFFFAOYSA-N -1 3 391.450 3.728 20 30 GHEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1Oc1ncccc1C#N ZINC000826170777 608319351 /nfs/dbraw/zinc/31/93/51/608319351.db2.gz PBYHDVFHWBTKNL-UHFFFAOYSA-N -1 3 399.414 3.546 20 30 GHEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1Oc1ncccc1C#N ZINC000826170777 608319353 /nfs/dbraw/zinc/31/93/53/608319353.db2.gz PBYHDVFHWBTKNL-UHFFFAOYSA-N -1 3 399.414 3.546 20 30 GHEDHM C[C@@H](C#N)CN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000824035294 608742231 /nfs/dbraw/zinc/74/22/31/608742231.db2.gz WIYZLDAYYURQJQ-INIZCTEOSA-N -1 3 388.475 3.570 20 30 GHEDHM C[C@@H](C#N)CN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000824035294 608742232 /nfs/dbraw/zinc/74/22/32/608742232.db2.gz WIYZLDAYYURQJQ-INIZCTEOSA-N -1 3 388.475 3.570 20 30 GHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400833 609271264 /nfs/dbraw/zinc/27/12/64/609271264.db2.gz JKSITHSDLLAGGR-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400833 609271266 /nfs/dbraw/zinc/27/12/66/609271266.db2.gz JKSITHSDLLAGGR-ZZXKWVIFSA-N -1 3 391.175 3.804 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1OC ZINC000826191157 609271886 /nfs/dbraw/zinc/27/18/86/609271886.db2.gz YLZORPJQWPTUGU-DAXSKMNVSA-N -1 3 388.786 3.573 20 30 GHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1OC ZINC000826191157 609271887 /nfs/dbraw/zinc/27/18/87/609271887.db2.gz YLZORPJQWPTUGU-DAXSKMNVSA-N -1 3 388.786 3.573 20 30 GHEDHM CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962578 609276097 /nfs/dbraw/zinc/27/60/97/609276097.db2.gz LMAXJNQHPRTXPF-UHFFFAOYSA-N -1 3 379.424 3.965 20 30 GHEDHM CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962578 609276098 /nfs/dbraw/zinc/27/60/98/609276098.db2.gz LMAXJNQHPRTXPF-UHFFFAOYSA-N -1 3 379.424 3.965 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826281414 609308012 /nfs/dbraw/zinc/30/80/12/609308012.db2.gz QHCVNPBAMDMYHG-KHPPLWFESA-N -1 3 384.443 3.780 20 30 GHEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826281414 609308014 /nfs/dbraw/zinc/30/80/14/609308014.db2.gz QHCVNPBAMDMYHG-KHPPLWFESA-N -1 3 384.443 3.780 20 30 GHEDHM C=CC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000823888509 609317668 /nfs/dbraw/zinc/31/76/68/609317668.db2.gz OYABPAHNKNWOJN-UHFFFAOYSA-N -1 3 375.432 3.697 20 30 GHEDHM C=CC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000823888509 609317669 /nfs/dbraw/zinc/31/76/69/609317669.db2.gz OYABPAHNKNWOJN-UHFFFAOYSA-N -1 3 375.432 3.697 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000825038965 609552273 /nfs/dbraw/zinc/55/22/73/609552273.db2.gz LDYURMARUUNJGA-CYBMUJFWSA-N -1 3 383.843 3.517 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000825038965 609552276 /nfs/dbraw/zinc/55/22/76/609552276.db2.gz LDYURMARUUNJGA-CYBMUJFWSA-N -1 3 383.843 3.517 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000115450588 837608526 /nfs/dbraw/zinc/60/85/26/837608526.db2.gz TWOJPBPQYAGGKE-FQEVSTJZSA-N -1 3 385.895 3.963 20 30 GHEDHM N#CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000431631211 835919578 /nfs/dbraw/zinc/91/95/78/835919578.db2.gz QGWQGEQQKCCTJI-OAHLLOKOSA-N -1 3 393.852 3.962 20 30 GHEDHM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1F ZINC000174771403 836555689 /nfs/dbraw/zinc/55/56/89/836555689.db2.gz GNAYJVWSNNKKIE-MRXNPFEDSA-N -1 3 390.436 3.800 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000066406697 837379544 /nfs/dbraw/zinc/37/95/44/837379544.db2.gz RCWFMOQYYLYSJM-TWGQIWQCSA-N -1 3 379.372 3.606 20 30 GHEDHM N#CC1(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCCCC1 ZINC000183006460 838885159 /nfs/dbraw/zinc/88/51/59/838885159.db2.gz ZDKGFKOPRPHWJC-HXUWFJFHSA-N -1 3 391.471 3.596 20 30 GHEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1c(C)noc1C ZINC000119281093 840019406 /nfs/dbraw/zinc/01/94/06/840019406.db2.gz PZTSFNRIUPTZJE-CYBMUJFWSA-N -1 3 387.383 3.612 20 30 GHEDHM O=C(COCC(F)(F)F)[N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000511735747 840573492 /nfs/dbraw/zinc/57/34/92/840573492.db2.gz AOIPQZBHQTXBDL-SNVBAGLBSA-N -1 3 381.219 3.587 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000364177918 841311389 /nfs/dbraw/zinc/31/13/89/841311389.db2.gz CEZOLWLDLIHLML-UHFFFAOYSA-N -1 3 397.425 3.802 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000066907453 842232694 /nfs/dbraw/zinc/23/26/94/842232694.db2.gz YXZLTOATKWNUHS-LLVKDONJSA-N -1 3 380.429 3.608 20 30 GHEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc(C(F)(F)F)c1 ZINC000473166105 842898810 /nfs/dbraw/zinc/89/88/10/842898810.db2.gz JRGGHCXFLNDSBE-HNNXBMFYSA-N -1 3 376.338 3.561 20 30 GHEDHM Cc1ccc(-c2nnc3n2CCCCC3)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255420812 844759362 /nfs/dbraw/zinc/75/93/62/844759362.db2.gz HYIFUTUDSFJSFT-UHFFFAOYSA-N -1 3 378.432 3.847 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2ccccc2F)no1 ZINC000729270096 844821789 /nfs/dbraw/zinc/82/17/89/844821789.db2.gz HHCXXBPPCLQCGY-UHFFFAOYSA-N -1 3 380.379 3.641 20 30 GHEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433627310 845127247 /nfs/dbraw/zinc/12/72/47/845127247.db2.gz ZGAZSNFOTRAONQ-UHFFFAOYSA-N -1 3 391.699 3.514 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCc1ccccc1)CC(C)C ZINC000513604197 845720633 /nfs/dbraw/zinc/72/06/33/845720633.db2.gz HCDODMJZUTVRDM-UHFFFAOYSA-N -1 3 379.504 3.936 20 30 GHEDHM CC[C@@H](c1ccccc1OC)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000582022825 846087519 /nfs/dbraw/zinc/08/75/19/846087519.db2.gz IPMCDYZWIITOHK-IBGZPJMESA-N -1 3 381.476 3.827 20 30 GHEDHM C=CCOc1cc(OC)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000134979741 846463685 /nfs/dbraw/zinc/46/36/85/846463685.db2.gz BRMHQLZYWUFTOP-UHFFFAOYSA-N -1 3 392.249 3.658 20 30 GHEDHM CC[C@@H]1C[C@@]1(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc(C)c1 ZINC000501654943 847076339 /nfs/dbraw/zinc/07/63/39/847076339.db2.gz DFZUIAWOCXCSFX-HXOBKFHXSA-N -1 3 377.488 3.958 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000183873428 847468905 /nfs/dbraw/zinc/46/89/05/847468905.db2.gz WMMOQKCCIKJDRJ-JPYJTQIMSA-N -1 3 391.515 3.872 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000128582653 861957736 /nfs/dbraw/zinc/95/77/36/861957736.db2.gz IUZXXKHRKGFCLD-KRWDZBQOSA-N -1 3 395.415 3.907 20 30 GHEDHM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2ncn(Cc3ccccc3)n2)c1 ZINC000522569981 862085023 /nfs/dbraw/zinc/08/50/23/862085023.db2.gz BJFQAFVNKWJXMC-UHFFFAOYSA-N -1 3 399.410 3.622 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000435733683 850820686 /nfs/dbraw/zinc/82/06/86/850820686.db2.gz CKPXXDMGQFZYEF-UHFFFAOYSA-N -1 3 377.263 3.610 20 30 GHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000426751740 852357706 /nfs/dbraw/zinc/35/77/06/852357706.db2.gz XTOCWDNWPGSXOV-SFHVURJKSA-N -1 3 379.815 3.968 20 30 GHEDHM N#Cc1cc(Cl)cc(Br)c1NCCNC(=O)c1ccc([O-])cc1 ZINC000436854248 852398188 /nfs/dbraw/zinc/39/81/88/852398188.db2.gz TUYJINDFQGXFCY-UHFFFAOYSA-N -1 3 394.656 3.522 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438475989 852472493 /nfs/dbraw/zinc/47/24/93/852472493.db2.gz ZLVBFSKCUDZZFU-UONOGXRCSA-N -1 3 383.414 3.693 20 30 GHEDHM CCCCOc1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000912930622 852897504 /nfs/dbraw/zinc/89/75/04/852897504.db2.gz XDHHBIVZBINFAU-UHFFFAOYSA-N -1 3 379.460 3.858 20 30 GHEDHM C=CCOc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1OCC ZINC000007154802 852935817 /nfs/dbraw/zinc/93/58/17/852935817.db2.gz MMBBFGPAUGACBK-WQLSENKSSA-N -1 3 384.251 3.737 20 30 GHEDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000518741921 853702364 /nfs/dbraw/zinc/70/23/64/853702364.db2.gz KNQYJEOYOSTBPP-LLVKDONJSA-N -1 3 399.232 3.576 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2csc3c2CCCC3)C1=O ZINC000906485941 857134041 /nfs/dbraw/zinc/13/40/41/857134041.db2.gz CEVIBMJXNUVAFB-HXUWFJFHSA-N -1 3 391.537 3.943 20 30 GHEDHM Cn1c(Br)c(C#N)c2c1nc(Cl)nc2Nc1cccc([O-])c1F ZINC001212549224 857295376 /nfs/dbraw/zinc/29/53/76/857295376.db2.gz BUMDXZPGGWURHC-UHFFFAOYSA-N -1 3 396.607 3.844 20 30 GHEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(=O)[n-]1 ZINC000065680360 857725903 /nfs/dbraw/zinc/72/59/03/857725903.db2.gz NFTCLEILBPXOFK-UHFFFAOYSA-N -1 3 388.427 3.622 20 30 GHEDHM Cc1ccc(NC(=O)CCCCC#N)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000594419349 858183583 /nfs/dbraw/zinc/18/35/83/858183583.db2.gz DLYYDURLRXNQOE-UHFFFAOYSA-N -1 3 389.452 3.957 20 30 GHEDHM CCC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1ccc([O-])c(F)c1 ZINC000764699103 859572150 /nfs/dbraw/zinc/57/21/50/859572150.db2.gz JHSLDCWQHMRDEJ-UHFFFAOYSA-N -1 3 377.366 3.928 20 30 GHEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2ccc3c(c2)CCO3)cc1 ZINC000727058081 859910983 /nfs/dbraw/zinc/91/09/83/859910983.db2.gz FPIPAZWPMVXPHC-UHFFFAOYSA-N -1 3 393.468 3.868 20 30 GHEDHM C=CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000527452087 860179257 /nfs/dbraw/zinc/17/92/57/860179257.db2.gz UWMCHSQPYIDUHL-MRXNPFEDSA-N -1 3 399.454 3.911 20 30 GHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603039164 860452530 /nfs/dbraw/zinc/45/25/30/860452530.db2.gz DMLPOWXVPMYWHC-UHFFFAOYSA-N -1 3 399.804 3.836 20 30 GHEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2CC23CCCCC3)CCCC1 ZINC000329103879 861021435 /nfs/dbraw/zinc/02/14/35/861021435.db2.gz GGUPVJBQZQIOBS-HNNXBMFYSA-N -1 3 395.525 3.562 20 30 GHEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2c(CC)cccc2CC)cc1 ZINC000605495356 863115012 /nfs/dbraw/zinc/11/50/12/863115012.db2.gz ADLITCSRRCGQJW-UHFFFAOYSA-N -1 3 387.505 3.920 20 30 GHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480572633 864889771 /nfs/dbraw/zinc/88/97/71/864889771.db2.gz DYJKEQNQTJETSI-SECBINFHSA-N -1 3 384.387 3.539 20 30 GHEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccco3)sc2C)c1 ZINC000127149904 865431189 /nfs/dbraw/zinc/43/11/89/865431189.db2.gz SPDHRSRALDLBFS-AWEZNQCLSA-N -1 3 381.413 3.681 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000481061592 865738386 /nfs/dbraw/zinc/73/83/86/865738386.db2.gz PJDNNDGTEKUEQH-CYBMUJFWSA-N -1 3 385.420 3.533 20 30 GHEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000747107147 881994171 /nfs/dbraw/zinc/99/41/71/881994171.db2.gz AEFHAZIIFXPXCS-LLVKDONJSA-N -1 3 378.837 3.688 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCCCC1 ZINC000534403699 866724199 /nfs/dbraw/zinc/72/41/99/866724199.db2.gz LDWZJLKSKVUWHY-CYBMUJFWSA-N -1 3 391.718 3.853 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000744029695 868538534 /nfs/dbraw/zinc/53/85/34/868538534.db2.gz WDYUXUAPPRAXJN-LLVKDONJSA-N -1 3 397.740 3.637 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC001212339740 870870439 /nfs/dbraw/zinc/87/04/39/870870439.db2.gz VJKLXBTZFYIGQO-UHFFFAOYSA-N -1 3 384.354 3.684 20 30 GHEDHM CC(C)Oc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1C(F)(F)F ZINC001193719720 871270068 /nfs/dbraw/zinc/27/00/68/871270068.db2.gz CDRIAJRJRDUTBI-UHFFFAOYSA-N -1 3 381.354 3.932 20 30 GHEDHM CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc([O-])c3ccccc3c2)C1=O ZINC000793986390 882522167 /nfs/dbraw/zinc/52/21/67/882522167.db2.gz MIBNQNAZZBRZDU-JOCHJYFZSA-N -1 3 397.475 3.861 20 30 GHEDHM N#Cc1c(Cl)ccc([N-]S(=O)(=O)c2cccc3nccnc32)c1Cl ZINC001194987475 872090436 /nfs/dbraw/zinc/09/04/36/872090436.db2.gz HBJREIIWNHIONF-UHFFFAOYSA-N -1 3 379.228 3.609 20 30 GHEDHM N#Cc1ccccc1NC(=S)Nc1cc(I)ccc1[O-] ZINC001196325648 873033388 /nfs/dbraw/zinc/03/33/88/873033388.db2.gz PELCDBQPIDWEPH-UHFFFAOYSA-N -1 3 395.225 3.677 20 30 GHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2Br)c(F)c1 ZINC001196382202 873063715 /nfs/dbraw/zinc/06/37/15/873063715.db2.gz FSLHTCABKFABCE-UHFFFAOYSA-N -1 3 387.205 3.708 20 30 GHEDHM CCc1nc2ccc(Cl)cn2c1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000464181168 873362543 /nfs/dbraw/zinc/36/25/43/873362543.db2.gz LSDPOFPCPUHKEP-LBPRGKRZSA-N -1 3 378.823 3.620 20 30 GHEDHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 ZINC000541354416 873444672 /nfs/dbraw/zinc/44/46/72/873444672.db2.gz GKWUAOJZGUGEMG-LLVKDONJSA-N -1 3 376.260 3.739 20 30 GHEDHM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464418447 873807439 /nfs/dbraw/zinc/80/74/39/873807439.db2.gz BQSQPTSZTANDKY-HNNXBMFYSA-N -1 3 375.350 3.682 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c2cccnc12 ZINC001197687812 873982777 /nfs/dbraw/zinc/98/27/77/873982777.db2.gz HZJFHMCNYWLRGU-UHFFFAOYSA-N -1 3 375.812 3.841 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(F)cccc2Cl)c(C(F)(F)F)c1 ZINC000769894303 874327176 /nfs/dbraw/zinc/32/71/76/874327176.db2.gz VINHVSMAINQAAF-UHFFFAOYSA-N -1 3 393.749 3.675 20 30 GHEDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)c1[O-] ZINC000769920493 874342711 /nfs/dbraw/zinc/34/27/11/874342711.db2.gz INADSZRJQUZAIM-UHFFFAOYSA-N -1 3 387.842 3.581 20 30 GHEDHM C#C[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccc(Cl)cc1F ZINC000804419719 882826593 /nfs/dbraw/zinc/82/65/93/882826593.db2.gz UODLJNAEOOAKFH-CQSZACIVSA-N -1 3 375.831 3.685 20 30 GHEDHM N#CCCn1cc(C(=O)COC(=O)c2cccc(Cl)c2[O-])c2ccccc21 ZINC000775931435 874790526 /nfs/dbraw/zinc/79/05/26/874790526.db2.gz XIHDFXPFFNLXLV-UHFFFAOYSA-N -1 3 382.803 3.954 20 30 GHEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000121758454 875273471 /nfs/dbraw/zinc/27/34/71/875273471.db2.gz ZEGPZDGHZSFZBO-UHFFFAOYSA-N -1 3 385.383 3.768 20 30 GHEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cscc1Cl ZINC000771871279 875508683 /nfs/dbraw/zinc/50/86/83/875508683.db2.gz LNRVUYOSAGCUIX-CYBMUJFWSA-N -1 3 378.866 3.676 20 30 GHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000776273573 876135925 /nfs/dbraw/zinc/13/59/25/876135925.db2.gz IPFFUUMIXXLYGU-SECBINFHSA-N -1 3 379.199 3.755 20 30 GHEDHM COc1cccc(-c2nc(COC(=O)c3cc([O-])cc(C#N)c3)cs2)c1OC ZINC000776280951 876167241 /nfs/dbraw/zinc/16/72/41/876167241.db2.gz ZNHDSKWSASANCK-UHFFFAOYSA-N -1 3 396.424 3.762 20 30 GHEDHM N#Cc1cccc(-c2nnc(COC(=O)c3cc4sccc4c([O-])c3)o2)c1 ZINC000786131258 876498390 /nfs/dbraw/zinc/49/83/90/876498390.db2.gz OFKITIOADJHAOW-UHFFFAOYSA-N -1 3 377.381 3.886 20 30 GHEDHM CN1c2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2C(C)(C)C1=O ZINC000851039392 877364534 /nfs/dbraw/zinc/36/45/34/877364534.db2.gz ZHPVUFUSAQZYNN-CYBMUJFWSA-N -1 3 387.361 3.844 20 30 GHEDHM CCC(CC)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc1C ZINC000776519056 877450753 /nfs/dbraw/zinc/45/07/53/877450753.db2.gz XXVWKEPOHSNWHA-INIZCTEOSA-N -1 3 398.463 3.531 20 30 GHEDHM N#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1Br ZINC000615762863 878093490 /nfs/dbraw/zinc/09/34/90/878093490.db2.gz AXALZNCYOOWSGS-MRXNPFEDSA-N -1 3 391.240 3.998 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F ZINC000537753310 878243276 /nfs/dbraw/zinc/24/32/76/878243276.db2.gz TUINZPHWBHHARX-IBGZPJMESA-N -1 3 391.393 3.802 20 30 GHEDHM C=CCn1c2ccccc2n2nc(C)c(C(C)=N[N-]c3nc4ccccn4n3)c12 ZINC000790197120 879516997 /nfs/dbraw/zinc/51/69/97/879516997.db2.gz LVCNUWJYHJZQJB-UHFFFAOYSA-N -1 3 384.447 3.662 20 30 GHEDHM N#C[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCc2ccccc2C1 ZINC000185151443 880491310 /nfs/dbraw/zinc/49/13/10/880491310.db2.gz DQXPRXVTIRIRHD-KRWDZBQOSA-N -1 3 381.284 3.723 20 30 GHEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000792032727 880868642 /nfs/dbraw/zinc/86/86/42/880868642.db2.gz GPLIISQPKAMGBS-NRFANRHFSA-N -1 3 389.430 3.707 20 30 GHEDHM C=C(C)CN1CCC2(CCN(Cc3cccc([O-])c3Br)CC2)C1=O ZINC001275208195 912625361 /nfs/dbraw/zinc/62/53/61/912625361.db2.gz DEUVUAMBHREGJH-UHFFFAOYSA-N -1 3 393.325 3.545 20 30 GHEDHM C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccc(C#N)cc1 ZINC000609577030 883373720 /nfs/dbraw/zinc/37/37/20/883373720.db2.gz DRMFPDHFQWZQAZ-LLVKDONJSA-N -1 3 396.244 3.653 20 30 GHEDHM Cc1ccnc(-c2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)n1 ZINC000609646300 883480478 /nfs/dbraw/zinc/48/04/78/883480478.db2.gz DIBOETJTDURPEA-UHFFFAOYSA-N -1 3 387.443 3.612 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2cc(C)cc(C)c2)ccc1F ZINC000914517357 884011810 /nfs/dbraw/zinc/01/18/10/884011810.db2.gz XCKUGIWATOXXOT-UHFFFAOYSA-N -1 3 390.480 3.574 20 30 GHEDHM Cc1ncc(CO)c(/C=N\C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1[O-] ZINC000914703163 884554798 /nfs/dbraw/zinc/55/47/98/884554798.db2.gz PHAATAIVUZZJJZ-GXHLRLRESA-N -1 3 384.320 3.916 20 30 GHEDHM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)C(=O)Nc1cccc3ccccc31)OC2=O ZINC000860469318 884706013 /nfs/dbraw/zinc/70/60/13/884706013.db2.gz HXOKCNPVOLUQHG-IRBZQWRBSA-N -1 3 390.439 3.609 20 30 GHEDHM C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000131101785 885521559 /nfs/dbraw/zinc/52/15/59/885521559.db2.gz AXXHPXOAUYLQAZ-NRFANRHFSA-N -1 3 393.487 3.567 20 30 GHEDHM COc1cc(OC)cc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC001131599957 887199314 /nfs/dbraw/zinc/19/93/14/887199314.db2.gz XKXHAUDFFPCGOY-AWEZNQCLSA-N -1 3 384.432 3.530 20 30 GHEDHM COc1cc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)c(OC)cc1[O-] ZINC000763104214 887665053 /nfs/dbraw/zinc/66/50/53/887665053.db2.gz JKCKIEMNVSNRAJ-ONEGZZNKSA-N -1 3 376.792 3.730 20 30 GHEDHM N#CCCC[C@H]([N-]S(=O)(=O)c1occc1Br)c1ccccc1 ZINC000915866662 887736172 /nfs/dbraw/zinc/73/61/72/887736172.db2.gz VGHGOSWZSMXOEX-AWEZNQCLSA-N -1 3 383.267 3.756 20 30 GHEDHM CN(C)C(=O)Nc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000794848551 888403572 /nfs/dbraw/zinc/40/35/72/888403572.db2.gz QNVHZGQZIPAKCR-YBFXNURJSA-N -1 3 376.254 3.867 20 30 GHEDHM Cc1ccc(C(=NC([O-])=C(c2c[nH]c3cccc(F)c23)C(F)(F)F)NO)nc1 ZINC001184540909 913273083 /nfs/dbraw/zinc/27/30/83/913273083.db2.gz GNMPMMAIFNNTIJ-HNNXBMFYSA-N -1 3 394.328 3.609 20 30 GHEDHM COc1cc(Br)c(CN[C@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866295134 888820179 /nfs/dbraw/zinc/82/01/79/888820179.db2.gz SNNUWJLSDDOGTA-LLVKDONJSA-N -1 3 391.265 3.894 20 30 GHEDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C#N)c(F)cc2F)cc1SC ZINC001132471034 888896277 /nfs/dbraw/zinc/89/62/77/888896277.db2.gz ZAOCUBYIRQPNPE-UHFFFAOYSA-N -1 3 379.344 3.727 20 30 GHEDHM Cc1[nH]c2ccccc2c1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916620687 889195834 /nfs/dbraw/zinc/19/58/34/889195834.db2.gz WLCKKNZALQSCCU-SFHVURJKSA-N -1 3 391.456 3.751 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000811186325 889273302 /nfs/dbraw/zinc/27/33/02/889273302.db2.gz KQPKWSZAHKGLBY-OAQYLSRUSA-N -1 3 396.418 3.607 20 30 GHEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nc2sc(C)c(C)c2c1=O ZINC000125624482 890056863 /nfs/dbraw/zinc/05/68/63/890056863.db2.gz GCDVHHNELKCPDW-GFCCVEGCSA-N -1 3 388.518 3.918 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000916905241 890402942 /nfs/dbraw/zinc/40/29/42/890402942.db2.gz JHFWHMDJRDYFBY-NSHDSACASA-N -1 3 391.210 3.726 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1ccccc1F ZINC000917505710 892103606 /nfs/dbraw/zinc/10/36/06/892103606.db2.gz PNMDNKYUEDFUAA-FEAKQIBJSA-N -1 3 382.391 3.552 20 30 GHEDHM Cc1nc(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)co1 ZINC000933362637 893020165 /nfs/dbraw/zinc/02/01/65/893020165.db2.gz SLMLQJDQVBZLDO-UHFFFAOYSA-N -1 3 376.416 3.810 20 30 GHEDHM C[C@](C#N)([N-]S(=O)(=O)c1ccc(-c2cnco2)cc1)c1ccccc1Cl ZINC001185242837 913756874 /nfs/dbraw/zinc/75/68/74/913756874.db2.gz AXLVWZGMEKVMPP-GOSISDBHSA-N -1 3 387.848 3.712 20 30 GHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000563178723 893440074 /nfs/dbraw/zinc/44/00/74/893440074.db2.gz SUMNRICNGOYTPF-UHFFFAOYSA-N -1 3 387.417 3.849 20 30 GHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nccc2ccccc21 ZINC000563831026 894239454 /nfs/dbraw/zinc/23/94/54/894239454.db2.gz ZSTNDXRFGFBSAE-MRXNPFEDSA-N -1 3 382.379 3.844 20 30 GHEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 ZINC000460003988 894540208 /nfs/dbraw/zinc/54/02/08/894540208.db2.gz AORGXDWMZHJSTE-FOIQADDNSA-N -1 3 383.473 3.593 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1cccc(Cl)c1 ZINC000826233961 896573417 /nfs/dbraw/zinc/57/34/17/896573417.db2.gz BLLUBZBPRNASSH-MDZDMXLPSA-N -1 3 390.834 3.910 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1cccc(Cl)c1 ZINC000826233961 896573428 /nfs/dbraw/zinc/57/34/28/896573428.db2.gz BLLUBZBPRNASSH-MDZDMXLPSA-N -1 3 390.834 3.910 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)nc2C)cc1 ZINC000132494607 897808439 /nfs/dbraw/zinc/80/84/39/897808439.db2.gz KPAXWTQIQRKUIW-LJQANCHMSA-N -1 3 384.439 3.976 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C2CCCCC2)n1 ZINC000826359463 898092480 /nfs/dbraw/zinc/09/24/80/898092480.db2.gz HYFYTKTZYLXZSM-CSKARUKUSA-N -1 3 380.427 3.683 20 30 GHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C2CCCCC2)n1 ZINC000826359463 898092492 /nfs/dbraw/zinc/09/24/92/898092492.db2.gz HYFYTKTZYLXZSM-CSKARUKUSA-N -1 3 380.427 3.683 20 30 GHEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C2CCCCC2)n1 ZINC000826359900 898098086 /nfs/dbraw/zinc/09/80/86/898098086.db2.gz SGTSSKSRQOXMCV-VBKFSLOCSA-N -1 3 388.475 3.860 20 30 GHEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C2CCCCC2)n1 ZINC000826359900 898098095 /nfs/dbraw/zinc/09/80/95/898098095.db2.gz SGTSSKSRQOXMCV-VBKFSLOCSA-N -1 3 388.475 3.860 20 30 GHEDHM COCc1ccccc1CS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000568807455 898117367 /nfs/dbraw/zinc/11/73/67/898117367.db2.gz FAVKRLWDVNYJMA-KRWDZBQOSA-N -1 3 398.406 3.536 20 30 GHEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822802268 898633855 /nfs/dbraw/zinc/63/38/55/898633855.db2.gz YGEOUXWZJFZMOF-KRWDZBQOSA-N -1 3 386.440 3.836 20 30 GHEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822802268 898633863 /nfs/dbraw/zinc/63/38/63/898633863.db2.gz YGEOUXWZJFZMOF-KRWDZBQOSA-N -1 3 386.440 3.836 20 30 GHEDHM N#C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000826380010 898810644 /nfs/dbraw/zinc/81/06/44/898810644.db2.gz KFHUAXVGWAGYAW-AWEZNQCLSA-N -1 3 379.342 3.515 20 30 GHEDHM N#C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000826380010 898810649 /nfs/dbraw/zinc/81/06/49/898810649.db2.gz KFHUAXVGWAGYAW-AWEZNQCLSA-N -1 3 379.342 3.515 20 30 GHEDHM C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824471680 899618265 /nfs/dbraw/zinc/61/82/65/899618265.db2.gz RYFKLZLSJHEDCP-HNNXBMFYSA-N -1 3 386.459 3.795 20 30 GHEDHM C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824471680 899618272 /nfs/dbraw/zinc/61/82/72/899618272.db2.gz RYFKLZLSJHEDCP-HNNXBMFYSA-N -1 3 386.459 3.795 20 30 GHEDHM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403034 899827102 /nfs/dbraw/zinc/82/71/02/899827102.db2.gz IGTXBGRDXZANJZ-VURMDHGXSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403034 899827108 /nfs/dbraw/zinc/82/71/08/899827108.db2.gz IGTXBGRDXZANJZ-VURMDHGXSA-N -1 3 378.285 3.801 20 30 GHEDHM C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000824897880 899867214 /nfs/dbraw/zinc/86/72/14/899867214.db2.gz CFAVURJVHDFJJU-UGFHNGPFSA-N -1 3 378.461 3.603 20 30 GHEDHM C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000824897880 899867222 /nfs/dbraw/zinc/86/72/22/899867222.db2.gz CFAVURJVHDFJJU-UGFHNGPFSA-N -1 3 378.461 3.603 20 30 GHEDHM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000136619003 900732545 /nfs/dbraw/zinc/73/25/45/900732545.db2.gz ZREWYJLZSPGJPC-OAHLLOKOSA-N -1 3 379.441 3.712 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000886692901 901229395 /nfs/dbraw/zinc/22/93/95/901229395.db2.gz LASCWJMSNIMBLJ-ZDUSSCGKSA-N -1 3 399.878 3.674 20 30 GHEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3c(F)cc([O-])cc3F)C2)CC1 ZINC001144541909 902350437 /nfs/dbraw/zinc/35/04/37/902350437.db2.gz MFNLEFQCKQOUOD-UHFFFAOYSA-N -1 3 380.435 3.671 20 30 GHEDHM CCCOc1ccc(OCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845835922 902448666 /nfs/dbraw/zinc/44/86/66/902448666.db2.gz GHSCBRQVIYXRLY-FQEVSTJZSA-N -1 3 377.440 3.864 20 30 GHEDHM CCCOc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1 ZINC000845835922 902448674 /nfs/dbraw/zinc/44/86/74/902448674.db2.gz GHSCBRQVIYXRLY-FQEVSTJZSA-N -1 3 377.440 3.864 20 30 GHEDHM CC(C)(C)c1noc(CCCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)n1 ZINC000845836857 902450360 /nfs/dbraw/zinc/45/03/60/902450360.db2.gz CJFYPBXFPONITH-MRXNPFEDSA-N -1 3 379.460 3.700 20 30 GHEDHM N#CC(C(=O)CCC(=O)c1ccc(F)c(F)c1)=C([O-])C1(c2ccccc2)CC1 ZINC000845840807 902459547 /nfs/dbraw/zinc/45/95/47/902459547.db2.gz FWYFBVBXXMJCON-MRXNPFEDSA-N -1 3 381.378 3.937 20 30 GHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(=O)c1ccc(F)c(F)c1 ZINC000845840807 902459552 /nfs/dbraw/zinc/45/95/52/902459552.db2.gz FWYFBVBXXMJCON-MRXNPFEDSA-N -1 3 381.378 3.937 20 30 GHEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000845843630 902460752 /nfs/dbraw/zinc/46/07/52/902460752.db2.gz DNJSVDBHLOQVRS-CXAGYDPISA-N -1 3 380.375 3.847 20 30 GHEDHM C[C@@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000845843630 902460757 /nfs/dbraw/zinc/46/07/57/902460757.db2.gz DNJSVDBHLOQVRS-CXAGYDPISA-N -1 3 380.375 3.847 20 30 GHEDHM CC(C)(C)OC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cscn3)sc2C1 ZINC001147360180 903769473 /nfs/dbraw/zinc/76/94/73/903769473.db2.gz LNVWKKCVYVSMBT-UHFFFAOYSA-N -1 3 390.490 3.622 20 30 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N#CC(=C([O-])c1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc(F)n1 ZINC001122715040 934960227 /nfs/dbraw/zinc/96/02/27/934960227.db2.gz VDIFZHKUYINCGN-OAHLLOKOSA-N -1 3 381.794 3.574 20 30 GHEDHM C#CCC1(NC(=O)c2sc3ccc(-c4nnn[n-]4)cc3c2C)CCCCC1 ZINC001573285474 946780725 /nfs/dbraw/zinc/78/07/25/946780725.db2.gz XZWLRQNYFGPSHY-UHFFFAOYSA-N -1 3 379.489 3.846 20 30 GHEDHM C#CCC1(NC(=O)c2sc3ccc(-c4nn[n-]n4)cc3c2C)CCCCC1 ZINC001573285474 946780732 /nfs/dbraw/zinc/78/07/32/946780732.db2.gz XZWLRQNYFGPSHY-UHFFFAOYSA-N -1 3 379.489 3.846 20 30 GHEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@H](C)CC2 ZINC001573290158 946899190 /nfs/dbraw/zinc/89/91/90/946899190.db2.gz FZSUEJOGUVOOTO-CHWSQXEVSA-N -1 3 391.500 3.777 20 30 GHEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@H](C)CC2 ZINC001573290158 946899199 /nfs/dbraw/zinc/89/91/99/946899199.db2.gz FZSUEJOGUVOOTO-CHWSQXEVSA-N -1 3 391.500 3.777 20 30 GHEDHM C#Cc1cccc(N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC001573291255 946918384 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947498254 /nfs/dbraw/zinc/49/82/54/947498254.db2.gz ZKZRCRJADNHCBX-UHFFFAOYSA-N -1 3 392.511 3.718 20 30 GHEDHM C[C@@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000469712632 1016600223 /nfs/dbraw/zinc/60/02/23/1016600223.db2.gz MWSORVNCKHIKOK-JTQLQIEISA-N -1 3 398.271 3.892 20 30 GHEDHM Cc1ccc2ncc([O-])c(C(=O)N3CCC[C@@H](Oc4ccc(C#N)cc4)C3)c2c1 ZINC001154531311 1032167603 /nfs/dbraw/zinc/16/76/03/1032167603.db2.gz DLZQPWADKVYOBN-GOSISDBHSA-N -1 3 387.439 3.804 20 30 GHEDHM C=CCCC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)OC ZINC001155476420 1032556512 /nfs/dbraw/zinc/55/65/12/1032556512.db2.gz ZTBYAZLAOWTADA-FQEVSTJZSA-N -1 3 381.472 3.805 20 30 GHEDHM C=CCCC[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(=O)OC ZINC001155474114 1032555754 /nfs/dbraw/zinc/55/57/54/1032555754.db2.gz BYRUNJISKBALBL-ZDUSSCGKSA-N -1 3 390.224 3.555 20 30 GHEDHM CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccc(C(=O)[O-])cc2F)CC1 ZINC000835012867 1021768235 /nfs/dbraw/zinc/76/82/35/1021768235.db2.gz YJFFLZIMPXZOFF-UHFFFAOYSA-N 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CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1ccc(Cl)c(CO)c1F ZINC001222335674 1030078775 /nfs/dbraw/zinc/07/87/75/1030078775.db2.gz BDIWCDJZEWKFCR-ODCIPOBUSA-N -1 3 379.819 3.826 20 30 GHEDHM CSc1ccc([O-])c(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC001151049894 1030758591 /nfs/dbraw/zinc/75/85/91/1030758591.db2.gz BZHXKXZLJBNIOT-CQSZACIVSA-N -1 3 377.263 3.871 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3c(cccc3F)[nH]2)c(C)c1[O-] ZINC001151108748 1030773122 /nfs/dbraw/zinc/77/31/22/1030773122.db2.gz MUBLEOSYKOOCJZ-UHFFFAOYSA-N -1 3 381.363 3.622 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2scc3c2CCCC3)c(C)c1[O-] ZINC001153626674 1031678558 /nfs/dbraw/zinc/67/85/58/1031678558.db2.gz HFLYKXMEZJTBFB-UHFFFAOYSA-N -1 3 384.457 3.942 20 30 GHEDHM CCOC(=O)c1ncc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)s1 ZINC001161783038 1035300995 /nfs/dbraw/zinc/30/09/95/1035300995.db2.gz DPWYWWWQFUGPHC-UHFFFAOYSA-N -1 3 375.233 3.658 20 30 GHEDHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)nc1 ZINC001161850089 1035314887 /nfs/dbraw/zinc/31/48/87/1035314887.db2.gz WJSWHLDXKPXFJM-UHFFFAOYSA-N -1 3 375.400 3.528 20 30 GHEDHM COC(=O)c1c(F)cc(-c2nc(/C=N/[O-])ccc2NC(=O)C(C)(C)C)cc1F ZINC001244600866 1036563929 /nfs/dbraw/zinc/56/39/29/1036563929.db2.gz CYBIRLVELYESEY-LSFURLLWSA-N -1 3 391.374 3.606 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=S)N[C@H](C)c2ccccc2)c(C)c1[O-] ZINC001245517572 1036943647 /nfs/dbraw/zinc/94/36/47/1036943647.db2.gz CADGNLMBOLUMEW-CYBMUJFWSA-N -1 3 383.473 3.797 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1cc(Cl)c(OC)cc1[O-])CCO2 ZINC001232265381 1037986643 /nfs/dbraw/zinc/98/66/43/1037986643.db2.gz UWFDZQHJBOBPHZ-OXQOHEQNSA-N -1 3 381.900 3.628 20 30 GHEDHM N#Cc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c2ccccc12 ZINC001248001094 1038533163 /nfs/dbraw/zinc/53/31/63/1038533163.db2.gz YNJKVZDFDKKRFI-UHFFFAOYSA-N -1 3 385.339 3.922 20 30 GHEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1ccc(OC)c([O-])c1Cl)CCO2 ZINC001233399728 1039238532 /nfs/dbraw/zinc/23/85/32/1039238532.db2.gz HUIMBWZVIYILQB-OXQOHEQNSA-N -1 3 381.900 3.628 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001233799047 1039623382 /nfs/dbraw/zinc/62/33/82/1039623382.db2.gz DPUDXQDALHNTIX-FVGITIIISA-N -1 3 378.469 3.918 20 30 GHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001233803306 1039628782 /nfs/dbraw/zinc/62/87/82/1039628782.db2.gz NJSWAZYHFFLHBJ-FPQGOQEYSA-N -1 3 376.453 3.672 20 30 GHEDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]c(=O)nc3cccc(C#N)c31)C2 ZINC001234511040 1040089643 /nfs/dbraw/zinc/08/96/43/1040089643.db2.gz IKTXTGFTNAEKGV-FICVDOATSA-N -1 3 396.447 3.516 20 30 GHEDHM COc1ccc(CN=Nc2ccc(C(C)(C)C)nn2)c(Br)c1[O-] ZINC001254806067 1040567084 /nfs/dbraw/zinc/56/70/84/1040567084.db2.gz AFFHRAPHKJMGIS-UHFFFAOYSA-N -1 3 379.258 3.697 20 30 GHEDHM CC(C)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC001255345231 1040953033 /nfs/dbraw/zinc/95/30/33/1040953033.db2.gz XFCYNVFTRMIYFO-UHFFFAOYSA-N -1 3 381.313 3.921 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCC1 ZINC001255927155 1041415241 /nfs/dbraw/zinc/41/52/41/1041415241.db2.gz UTLGAFJBAFYIBE-UHFFFAOYSA-N -1 3 395.406 3.978 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1Cl ZINC001258274029 1044488844 /nfs/dbraw/zinc/48/88/44/1044488844.db2.gz YIVBAJRSLWNMGA-UHFFFAOYSA-N -1 3 376.743 3.911 20 30 GHEDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nc(Cc2ccccc2)no1 ZINC001294491403 1044662675 /nfs/dbraw/zinc/66/26/75/1044662675.db2.gz GVWLHTJRKZHIEZ-CYBMUJFWSA-N -1 3 382.370 3.501 20 30 GHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)cc1 ZINC001260146772 1045396394 /nfs/dbraw/zinc/39/63/94/1045396394.db2.gz DEESVHRNYBNBKD-UHFFFAOYSA-N -1 3 380.425 3.687 20 30 GHEDHM N#CCc1cc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)ccc1F ZINC001260148295 1045398547 /nfs/dbraw/zinc/39/85/47/1045398547.db2.gz WXOZFICGFJCADO-UHFFFAOYSA-N -1 3 383.404 3.880 20 30 GHEDHM O=S(=O)([N-]CC1(F)CCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001260946515 1045782705 /nfs/dbraw/zinc/78/27/05/1045782705.db2.gz SSZHNSNROTXCRN-UHFFFAOYSA-N -1 3 379.297 3.895 20 30 GHEDHM O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N([O-])Cc1ccccc1Cl ZINC001306893901 1048949040 /nfs/dbraw/zinc/94/90/40/1048949040.db2.gz BMFJOPQEEPBVIQ-UHFFFAOYSA-N -1 3 380.231 3.555 20 30 GHEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC001309102958 1050355806 /nfs/dbraw/zinc/35/58/06/1050355806.db2.gz LYFLSOFHTRAZIR-AWEZNQCLSA-N -1 3 399.497 3.633 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)ccc1F ZINC001328072113 1050384755 /nfs/dbraw/zinc/38/47/55/1050384755.db2.gz BUFRWSLXGLDILG-UHFFFAOYSA-N -1 3 393.827 3.660 20 30 GHEDHM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC001309265980 1050536201 /nfs/dbraw/zinc/53/62/01/1050536201.db2.gz MEECXOVHWCKTDQ-UHFFFAOYSA-N -1 3 391.773 3.828 20 30 GHEDHM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC001309768685 1050964942 /nfs/dbraw/zinc/96/49/42/1050964942.db2.gz PYPOLONYZJOIJX-UHFFFAOYSA-N -1 3 386.395 3.946 20 30 GHEDHM Cn1cc(Br)c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC001333206811 1051685616 /nfs/dbraw/zinc/68/56/16/1051685616.db2.gz WICAVMAIBLBQKH-UHFFFAOYSA-N -1 3 379.041 3.521 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccccc1Cl ZINC001342520534 1053214307 /nfs/dbraw/zinc/21/43/07/1053214307.db2.gz AQNDWTUVJZODDC-UHFFFAOYSA-N -1 3 384.871 3.615 20 30 GHEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2cccc(Cl)c2C1 ZINC001342522017 1053215642 /nfs/dbraw/zinc/21/56/42/1053215642.db2.gz JUCQZOHEQPYRDY-UHFFFAOYSA-N -1 3 396.882 3.541 20 30 GHEDHM COCCCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccsc1 ZINC001317737429 1054241511 /nfs/dbraw/zinc/24/15/11/1054241511.db2.gz WEUKMLQOZTUITQ-UHFFFAOYSA-N -1 3 389.502 3.509 20 30 GHEDHM COc1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC(C)C)ccc1O ZINC001317756253 1054248189 /nfs/dbraw/zinc/24/81/89/1054248189.db2.gz JMDJJHIKBJCEFC-UHFFFAOYSA-N -1 3 399.472 3.533 20 30 GHEDHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC001317833805 1054273354 /nfs/dbraw/zinc/27/33/54/1054273354.db2.gz TZWLJKICDGYWJT-UHFFFAOYSA-N -1 3 388.427 3.513 20 30 GHEDHM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000848135476 1056738554 /nfs/dbraw/zinc/73/85/54/1056738554.db2.gz MYWGHHWVPFTUQM-MRXNPFEDSA-N -1 3 390.892 3.910 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1c([O-])cccc1Cl ZINC000848140321 1056748387 /nfs/dbraw/zinc/74/83/87/1056748387.db2.gz OWHQHQYBQYQWBD-CYBMUJFWSA-N -1 3 381.860 3.961 20 30 GHEDHM CC(C)(C)OC(=O)NC(=CNNc1ccc(CC(=O)[O-])cc1)CC(F)(F)F ZINC000848415120 1057074389 /nfs/dbraw/zinc/07/43/89/1057074389.db2.gz WRAMFDWEWFBUOF-ZDUSSCGKSA-N -1 3 389.374 3.557 20 30 GHEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001440520328 1058529838 /nfs/dbraw/zinc/52/98/38/1058529838.db2.gz PSSRRISEIHMLEV-UHFFFAOYSA-N -1 3 394.456 3.556 20 30 GHEDHM O=C([N-][C@@H](CO)CC(F)(F)F)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001446746539 1059847913 /nfs/dbraw/zinc/84/79/13/1059847913.db2.gz JSHGMQNPQMGKGR-HCNJTKSQSA-N -1 3 377.231 3.584 20 30 GHEDHM O=C(CCOCC(F)(F)C(F)F)[N-]C1(C(F)(F)F)CCC(F)(F)CC1 ZINC001340913715 1060244143 /nfs/dbraw/zinc/24/41/43/1060244143.db2.gz VRJSIDZRHZSPOP-UHFFFAOYSA-N -1 3 389.258 3.920 20 30 GHEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2CC2)c1[O-] ZINC001346789170 1061886205 /nfs/dbraw/zinc/88/62/05/1061886205.db2.gz LPXCBUXJQMATIJ-UHFFFAOYSA-N -1 3 377.492 3.919 20 30 GHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001455225822 1062060806 /nfs/dbraw/zinc/06/08/06/1062060806.db2.gz NDDPRGIKXLJZPC-OAHLLOKOSA-N -1 3 384.304 3.519 20 30 GHEDHM C=CCCCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001348371398 1063027875 /nfs/dbraw/zinc/02/78/75/1063027875.db2.gz MNQJQMPYQGTTFT-UHFFFAOYSA-N -1 3 384.509 3.651 20 30 GHEDHM CC[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C1CCC(C)CC1 ZINC001458001235 1063500689 /nfs/dbraw/zinc/50/06/89/1063500689.db2.gz DMPCOBOVNCUIMC-JCYILVPMSA-N -1 3 386.492 3.743 20 30 GHEDHM C[C@H]1[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001458009296 1063503863 /nfs/dbraw/zinc/50/38/63/1063503863.db2.gz QEYZMVNBAXRWNT-WMZOPIPTSA-N -1 3 376.497 3.873 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Oc2cccnc2)cc1 ZINC001463668933 1064541667 /nfs/dbraw/zinc/54/16/67/1064541667.db2.gz YUKWORHGFFABJG-CYBMUJFWSA-N -1 3 385.470 3.847 20 30 GHEDHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC001464426175 1065001398 /nfs/dbraw/zinc/00/13/98/1065001398.db2.gz GOSKRGBQRLGGCD-XYPYZODXSA-N -1 3 376.703 3.573 20 30 GHEDHM Cc1ccc(Sc2ccc(NC(=O)N[C@H]3CCCN([O-])C3=O)cc2)c(C)c1 ZINC001465099086 1065391716 /nfs/dbraw/zinc/39/17/16/1065391716.db2.gz SYJKHVSSXBDVTI-KRWDZBQOSA-N -1 3 385.489 3.956 20 30 GHEDHM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000847600000 1065722484 /nfs/dbraw/zinc/72/24/84/1065722484.db2.gz ZGCVGRARAZQXDA-CYBMUJFWSA-N -1 3 381.860 3.961 20 30 GHEDHM O=C(CCN1C(=O)CCc2cc(F)ccc21)N([O-])CCCCc1ccccc1 ZINC001472620121 1073580573 /nfs/dbraw/zinc/58/05/73/1073580573.db2.gz PSNBARWKDMEPMZ-UHFFFAOYSA-N -1 3 384.451 3.736 20 30 GHEDHM CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)c1 ZINC001474842949 1074588862 /nfs/dbraw/zinc/58/88/62/1074588862.db2.gz QODFLCLZMSSHBJ-UHFFFAOYSA-N -1 3 399.497 3.600 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737708349 598916701 /nfs/dbraw/zinc/91/67/01/598916701.db2.gz FEFASPFFLLFQSR-UHFFFAOYSA-N -1 3 391.394 3.529 20 30 GHEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737708349 598916703 /nfs/dbraw/zinc/91/67/03/598916703.db2.gz FEFASPFFLLFQSR-UHFFFAOYSA-N -1 3 391.394 3.529 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1-c1nnn[n-]1 ZINC000737710254 598922143 /nfs/dbraw/zinc/92/21/43/598922143.db2.gz WKIRLJOGAKRBEY-UHFFFAOYSA-N -1 3 390.790 3.904 20 30 GHEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1-c1nn[n-]n1 ZINC000737710254 598922145 /nfs/dbraw/zinc/92/21/45/598922145.db2.gz WKIRLJOGAKRBEY-UHFFFAOYSA-N -1 3 390.790 3.904 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000735421406 598924318 /nfs/dbraw/zinc/92/43/18/598924318.db2.gz YQHUUCLLHUEBMH-FUHWJXTLSA-N -1 3 382.512 3.781 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000735421406 598924319 /nfs/dbraw/zinc/92/43/19/598924319.db2.gz YQHUUCLLHUEBMH-FUHWJXTLSA-N -1 3 382.512 3.781 20 30 GHEDHM CC(C)(C)c1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735652802 598924690 /nfs/dbraw/zinc/92/46/90/598924690.db2.gz RYXOPXAPHGDOFY-UHFFFAOYSA-N -1 3 392.488 3.767 20 30 GHEDHM CC(C)(C)c1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735652802 598924691 /nfs/dbraw/zinc/92/46/91/598924691.db2.gz RYXOPXAPHGDOFY-UHFFFAOYSA-N -1 3 392.488 3.767 20 30 GHEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000819772326 607254211 /nfs/dbraw/zinc/25/42/11/607254211.db2.gz CWUVEZBMUPGLTM-GFCCVEGCSA-N -1 3 377.477 3.746 20 30 GHEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000819772326 607254212 /nfs/dbraw/zinc/25/42/12/607254212.db2.gz CWUVEZBMUPGLTM-GFCCVEGCSA-N -1 3 377.477 3.746 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)N[C@H](CC)c1cccs1 ZINC000735421420 599013724 /nfs/dbraw/zinc/01/37/24/599013724.db2.gz ZCSNGRJWQRLJPY-MRXNPFEDSA-N -1 3 398.561 3.942 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)N[C@H](CC)c1cccs1 ZINC000735421420 599013727 /nfs/dbraw/zinc/01/37/27/599013727.db2.gz ZCSNGRJWQRLJPY-MRXNPFEDSA-N -1 3 398.561 3.942 20 30 GHEDHM Cc1ccc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000737329581 599157720 /nfs/dbraw/zinc/15/77/20/599157720.db2.gz MXINSIQKZMDZQX-KTKRTIGZSA-N -1 3 376.445 3.627 20 30 GHEDHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735736664 599195347 /nfs/dbraw/zinc/19/53/47/599195347.db2.gz VBGILMLENHXDBZ-GOSISDBHSA-N -1 3 392.488 3.635 20 30 GHEDHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735736664 599195349 /nfs/dbraw/zinc/19/53/49/599195349.db2.gz VBGILMLENHXDBZ-GOSISDBHSA-N -1 3 392.488 3.635 20 30 GHEDHM N#CCCCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737687059 599195611 /nfs/dbraw/zinc/19/56/11/599195611.db2.gz GPXFMZQUALXUEW-UHFFFAOYSA-N -1 3 396.838 3.736 20 30 GHEDHM CC[C@](C)(C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736311582 599199387 /nfs/dbraw/zinc/19/93/87/599199387.db2.gz ADRIEXJWFOOPHY-LJQANCHMSA-N -1 3 396.838 3.734 20 30 GHEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000736817673 599269674 /nfs/dbraw/zinc/26/96/74/599269674.db2.gz FPMARJAYFRMPQG-UHFFFAOYSA-N -1 3 375.823 3.576 20 30 GHEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000736817673 599269676 /nfs/dbraw/zinc/26/96/76/599269676.db2.gz FPMARJAYFRMPQG-UHFFFAOYSA-N -1 3 375.823 3.576 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CCC)c1ccccn1 ZINC000735420353 598269629 /nfs/dbraw/zinc/26/96/29/598269629.db2.gz OZHDTOQCDJBTFH-IBGZPJMESA-N -1 3 391.479 3.501 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CCC)c1ccccn1 ZINC000735420353 598269632 /nfs/dbraw/zinc/26/96/32/598269632.db2.gz OZHDTOQCDJBTFH-IBGZPJMESA-N -1 3 391.479 3.501 20 30 GHEDHM C#Cc1cccc(NC(=S)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391189 598321565 /nfs/dbraw/zinc/32/15/65/598321565.db2.gz OHLMOQFJQDFKPX-CQSZACIVSA-N -1 3 376.489 3.628 20 30 GHEDHM C#Cc1cccc(NC(=S)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391189 598321567 /nfs/dbraw/zinc/32/15/67/598321567.db2.gz OHLMOQFJQDFKPX-CQSZACIVSA-N -1 3 376.489 3.628 20 30 GHEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000735874164 598425721 /nfs/dbraw/zinc/42/57/21/598425721.db2.gz NSBADEJRXRAIFW-UHFFFAOYSA-N -1 3 395.854 3.834 20 30 GHEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000735874164 598425722 /nfs/dbraw/zinc/42/57/22/598425722.db2.gz NSBADEJRXRAIFW-UHFFFAOYSA-N -1 3 395.854 3.834 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735505570 598495575 /nfs/dbraw/zinc/49/55/75/598495575.db2.gz RGUDVWWBNQWUAM-IWMPZKFUSA-N -1 3 390.472 3.770 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735505570 598495576 /nfs/dbraw/zinc/49/55/76/598495576.db2.gz RGUDVWWBNQWUAM-IWMPZKFUSA-N -1 3 390.472 3.770 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc(CC(C)C)nc1C ZINC000735419811 598497943 /nfs/dbraw/zinc/49/79/43/598497943.db2.gz IUGOJDFMDSJJTC-UHFFFAOYSA-N -1 3 396.520 3.659 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc(CC(C)C)nc1C ZINC000735419811 598497945 /nfs/dbraw/zinc/49/79/45/598497945.db2.gz IUGOJDFMDSJJTC-UHFFFAOYSA-N -1 3 396.520 3.659 20 30 GHEDHM C#Cc1cccc(N(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735390264 598608701 /nfs/dbraw/zinc/60/87/01/598608701.db2.gz VWFPLPDAQRJGSV-UHFFFAOYSA-N -1 3 391.500 3.523 20 30 GHEDHM C#Cc1cccc(N(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735390264 598608703 /nfs/dbraw/zinc/60/87/03/598608703.db2.gz VWFPLPDAQRJGSV-UHFFFAOYSA-N -1 3 391.500 3.523 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391141 598608787 /nfs/dbraw/zinc/60/87/87/598608787.db2.gz NDESQFMQCYCXOW-UHFFFAOYSA-N -1 3 379.423 3.695 20 30 GHEDHM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391141 598608789 /nfs/dbraw/zinc/60/87/89/598608789.db2.gz NDESQFMQCYCXOW-UHFFFAOYSA-N -1 3 379.423 3.695 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736489994 598639993 /nfs/dbraw/zinc/63/99/93/598639993.db2.gz HSVBXMCPRDGCNQ-DHZHZOJOSA-N -1 3 377.448 3.608 20 30 GHEDHM CCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736489994 598639995 /nfs/dbraw/zinc/63/99/95/598639995.db2.gz HSVBXMCPRDGCNQ-DHZHZOJOSA-N -1 3 377.448 3.608 20 30 GHEDHM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000820831735 599689831 /nfs/dbraw/zinc/68/98/31/599689831.db2.gz BMIYXHXCJLEIOU-FMIVXFBMSA-N -1 3 378.823 3.824 20 30 GHEDHM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000820831735 599689832 /nfs/dbraw/zinc/68/98/32/599689832.db2.gz BMIYXHXCJLEIOU-FMIVXFBMSA-N -1 3 378.823 3.824 20 30 GHEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821723565 607455917 /nfs/dbraw/zinc/45/59/17/607455917.db2.gz FIVKKNXUTYCVIG-WAYWQWQTSA-N -1 3 388.786 3.573 20 30 GHEDHM COc1cc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821723565 607455919 /nfs/dbraw/zinc/45/59/19/607455919.db2.gz FIVKKNXUTYCVIG-WAYWQWQTSA-N -1 3 388.786 3.573 20 30 GHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1OC(F)F ZINC000822924279 607460606 /nfs/dbraw/zinc/46/06/06/607460606.db2.gz ZSCBIESBYRBQDF-ZZXKWVIFSA-N -1 3 378.285 3.642 20 30 GHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1OC(F)F ZINC000822924279 607460608 /nfs/dbraw/zinc/46/06/08/607460608.db2.gz ZSCBIESBYRBQDF-ZZXKWVIFSA-N -1 3 378.285 3.642 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504069 607459054 /nfs/dbraw/zinc/45/90/54/607459054.db2.gz LNUHQGLWOYZQCC-CKXDQZPMSA-N -1 3 391.362 3.744 20 30 GHEDHM O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504069 607459055 /nfs/dbraw/zinc/45/90/55/607459055.db2.gz LNUHQGLWOYZQCC-CKXDQZPMSA-N -1 3 391.362 3.744 20 30 GHEDHM Cc1cc(C(=O)C(C#N)c2nc3ccccc3s2)cc(C)c1OCC(=O)[O-] ZINC000832858773 601499061 /nfs/dbraw/zinc/49/90/61/601499061.db2.gz FVLCVWGUNVMKOD-AWEZNQCLSA-N -1 3 380.425 3.867 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000826847391 604220997 /nfs/dbraw/zinc/22/09/97/604220997.db2.gz IGAKZIIZBCGFMV-BPQIPLTHSA-N -1 3 385.464 3.503 20 30 GHEDHM CC(C)C[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000833795108 606025399 /nfs/dbraw/zinc/02/53/99/606025399.db2.gz GTATZESIMQYKMK-GWCFXTLKSA-N -1 3 393.415 3.947 20 30 GHEDHM N#Cc1cccc(CC(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822837592 606142726 /nfs/dbraw/zinc/14/27/26/606142726.db2.gz OQOLZLHNOQOMQT-UHFFFAOYSA-N -1 3 395.422 3.691 20 30 GHEDHM N#Cc1cccc(CC(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822837592 606142727 /nfs/dbraw/zinc/14/27/27/606142727.db2.gz OQOLZLHNOQOMQT-UHFFFAOYSA-N -1 3 395.422 3.691 20 30 GHEDHM N#C[C@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000822801297 606169822 /nfs/dbraw/zinc/16/98/22/606169822.db2.gz GVNUEOQCJGGCBO-KRWDZBQOSA-N -1 3 395.806 3.771 20 30 GHEDHM N#C[C@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1)C1CC1 ZINC000822801297 606169824 /nfs/dbraw/zinc/16/98/24/606169824.db2.gz GVNUEOQCJGGCBO-KRWDZBQOSA-N -1 3 395.806 3.771 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(Cl)ccc(Cl)c21 ZINC000823498321 606306109 /nfs/dbraw/zinc/30/61/09/606306109.db2.gz LCYNPPWSTRSGHK-XVNBXDOJSA-N -1 3 379.228 3.894 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(Cl)ccc(Cl)c21 ZINC000823498321 606306111 /nfs/dbraw/zinc/30/61/11/606306111.db2.gz LCYNPPWSTRSGHK-XVNBXDOJSA-N -1 3 379.228 3.894 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504174 606306475 /nfs/dbraw/zinc/30/64/75/606306475.db2.gz MZOTVIVXHRCGCD-XTUZQTQMSA-N -1 3 379.401 3.666 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504174 606306477 /nfs/dbraw/zinc/30/64/77/606306477.db2.gz MZOTVIVXHRCGCD-XTUZQTQMSA-N -1 3 379.401 3.666 20 30 GHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(Cl)cc(Cl)cc21 ZINC000823498333 606306499 /nfs/dbraw/zinc/30/64/99/606306499.db2.gz LJEAQXFTOSZDPM-LREOWRDNSA-N -1 3 379.228 3.894 20 30 GHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(Cl)cc(Cl)cc21 ZINC000823498333 606306501 /nfs/dbraw/zinc/30/65/01/606306501.db2.gz LJEAQXFTOSZDPM-LREOWRDNSA-N -1 3 379.228 3.894 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000822829779 606336414 /nfs/dbraw/zinc/33/64/14/606336414.db2.gz IVLQJWJPIINAGF-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM N#Cc1ccc(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000822829779 606336416 /nfs/dbraw/zinc/33/64/16/606336416.db2.gz IVLQJWJPIINAGF-UHFFFAOYSA-N -1 3 399.439 3.537 20 30 GHEDHM O=C(C(=NN=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1)c1ccccc1 ZINC000822912278 606368206 /nfs/dbraw/zinc/36/82/06/606368206.db2.gz USHYQMVUJHNBTG-UHFFFAOYSA-N -1 3 386.440 3.634 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504761 606391620 /nfs/dbraw/zinc/39/16/20/606391620.db2.gz UJXZEZLYPJZSAB-XVNBXDOJSA-N -1 3 391.225 3.652 20 30 GHEDHM N#Cc1c2c(sc1NC(=O)Cc1cccc(-c3nnn[n-]3)c1)CCCCCC2 ZINC000822819247 606515412 /nfs/dbraw/zinc/51/54/12/606515412.db2.gz NNCIKCUHYCTHFQ-UHFFFAOYSA-N -1 3 392.488 3.640 20 30 GHEDHM N#Cc1c2c(sc1NC(=O)Cc1cccc(-c3nn[n-]n3)c1)CCCCCC2 ZINC000822819247 606515413 /nfs/dbraw/zinc/51/54/13/606515413.db2.gz NNCIKCUHYCTHFQ-UHFFFAOYSA-N -1 3 392.488 3.640 20 30 GHEDHM N#Cc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)c(OC(F)F)c1 ZINC000822825791 606589706 /nfs/dbraw/zinc/58/97/06/606589706.db2.gz PBRIIUKNNRKGRS-UHFFFAOYSA-N -1 3 377.738 3.572 20 30 GHEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)c(OC(F)F)c1 ZINC000822825791 606589708 /nfs/dbraw/zinc/58/97/08/606589708.db2.gz PBRIIUKNNRKGRS-UHFFFAOYSA-N -1 3 377.738 3.572 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820556489 606628121 /nfs/dbraw/zinc/62/81/21/606628121.db2.gz UBCOWTTXEFXFIS-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1ccc(Cl)cc1C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820556489 606628123 /nfs/dbraw/zinc/62/81/23/606628123.db2.gz UBCOWTTXEFXFIS-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)OC1CCCCCC1 ZINC000819743741 606714855 /nfs/dbraw/zinc/71/48/55/606714855.db2.gz POIPNCZKVRMHAK-INIZCTEOSA-N -1 3 383.496 3.509 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)OC1CCCCCC1 ZINC000819743741 606714856 /nfs/dbraw/zinc/71/48/56/606714856.db2.gz POIPNCZKVRMHAK-INIZCTEOSA-N -1 3 383.496 3.509 20 30 GHEDHM N#CC1(OC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)CCC1 ZINC000822801792 606801617 /nfs/dbraw/zinc/80/16/17/606801617.db2.gz OPUXEOLVKYLNFC-UHFFFAOYSA-N -1 3 395.806 3.915 20 30 GHEDHM C=CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000819763733 607016303 /nfs/dbraw/zinc/01/63/03/607016303.db2.gz BMVCTQXXRIGDSY-UHFFFAOYSA-N -1 3 381.490 3.665 20 30 GHEDHM C=CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000819763733 607016305 /nfs/dbraw/zinc/01/63/05/607016305.db2.gz BMVCTQXXRIGDSY-UHFFFAOYSA-N -1 3 381.490 3.665 20 30 GHEDHM C[C@@H]1CC[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820683641 607094926 /nfs/dbraw/zinc/09/49/26/607094926.db2.gz FDYXKIPGLMWCSU-WWGRRREGSA-N -1 3 392.488 3.993 20 30 GHEDHM C[C@@H]1CC[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820683641 607094927 /nfs/dbraw/zinc/09/49/27/607094927.db2.gz FDYXKIPGLMWCSU-WWGRRREGSA-N -1 3 392.488 3.993 20 30 GHEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(Cl)c1 ZINC000822833668 607126817 /nfs/dbraw/zinc/12/68/17/607126817.db2.gz UWGTWHYITMQFRU-UHFFFAOYSA-N -1 3 376.754 3.605 20 30 GHEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(Cl)c1 ZINC000822833668 607126819 /nfs/dbraw/zinc/12/68/19/607126819.db2.gz UWGTWHYITMQFRU-UHFFFAOYSA-N -1 3 376.754 3.605 20 30 GHEDHM Cc1c(C(=O)C=Cc2cnc(C3CCC3)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016117 607148877 /nfs/dbraw/zinc/14/88/77/607148877.db2.gz VLHWYVTVZLHSRD-BQYQJAHWSA-N -1 3 380.477 3.543 20 30 GHEDHM Cc1c(C(=O)C=Cc2cnc(C3CCC3)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016117 607148878 /nfs/dbraw/zinc/14/88/78/607148878.db2.gz VLHWYVTVZLHSRD-BQYQJAHWSA-N -1 3 380.477 3.543 20 30 GHEDHM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000819765722 607169348 /nfs/dbraw/zinc/16/93/48/607169348.db2.gz QQWHOSLBYVEDQT-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM C=CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000819765722 607169349 /nfs/dbraw/zinc/16/93/49/607169349.db2.gz QQWHOSLBYVEDQT-UHFFFAOYSA-N -1 3 399.480 3.804 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476958 607885109 /nfs/dbraw/zinc/88/51/09/607885109.db2.gz SIXSRWBUYHGJGB-YHYXMXQVSA-N -1 3 385.196 3.591 20 30 GHEDHM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476958 607885110 /nfs/dbraw/zinc/88/51/10/607885110.db2.gz SIXSRWBUYHGJGB-YHYXMXQVSA-N -1 3 385.196 3.591 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000823909472 607888338 /nfs/dbraw/zinc/88/83/38/607888338.db2.gz FOVABWRRUZXCKL-OAHLLOKOSA-N -1 3 395.894 3.914 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000823909472 607888339 /nfs/dbraw/zinc/88/83/39/607888339.db2.gz FOVABWRRUZXCKL-OAHLLOKOSA-N -1 3 395.894 3.914 20 30 GHEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000826176892 607915887 /nfs/dbraw/zinc/91/58/87/607915887.db2.gz IWCNMVMGQMIIKN-ZZXKWVIFSA-N -1 3 390.321 3.512 20 30 GHEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000826176892 607915888 /nfs/dbraw/zinc/91/58/88/607915888.db2.gz IWCNMVMGQMIIKN-ZZXKWVIFSA-N -1 3 390.321 3.512 20 30 GHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000823882634 607980862 /nfs/dbraw/zinc/98/08/62/607980862.db2.gz ASFPMKWYAJCAQH-GFCCVEGCSA-N -1 3 385.374 3.767 20 30 GHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000823882634 607980863 /nfs/dbraw/zinc/98/08/63/607980863.db2.gz ASFPMKWYAJCAQH-GFCCVEGCSA-N -1 3 385.374 3.767 20 30 GHEDHM CC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825038503 608060303 /nfs/dbraw/zinc/06/03/03/608060303.db2.gz DFNXVXJMIJZKOY-LJQANCHMSA-N -1 3 396.838 3.734 20 30 GHEDHM CC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825038503 608060304 /nfs/dbraw/zinc/06/03/04/608060304.db2.gz DFNXVXJMIJZKOY-LJQANCHMSA-N -1 3 396.838 3.734 20 30 GHEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824385243 608061642 /nfs/dbraw/zinc/06/16/42/608061642.db2.gz PACDXNDVTLUWEE-LBPRGKRZSA-N -1 3 396.838 3.687 20 30 GHEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824385243 608061643 /nfs/dbraw/zinc/06/16/43/608061643.db2.gz PACDXNDVTLUWEE-LBPRGKRZSA-N -1 3 396.838 3.687 20 30 GHEDHM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1cccc(Cl)c1Cl ZINC000826184788 608151254 /nfs/dbraw/zinc/15/12/54/608151254.db2.gz KUMGMXLLBREBRL-UHFFFAOYSA-N -1 3 378.219 3.733 20 30 GHEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1cccc(Cl)c1Cl ZINC000826184788 608151255 /nfs/dbraw/zinc/15/12/55/608151255.db2.gz KUMGMXLLBREBRL-UHFFFAOYSA-N -1 3 378.219 3.733 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826387110 608301865 /nfs/dbraw/zinc/30/18/65/608301865.db2.gz GTHLCZIYEVXUCL-UHFFFAOYSA-N -1 3 395.426 3.727 20 30 GHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826387110 608301866 /nfs/dbraw/zinc/30/18/66/608301866.db2.gz GTHLCZIYEVXUCL-UHFFFAOYSA-N -1 3 395.426 3.727 20 30 GHEDHM N#Cc1ccc(C2=CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000826384837 608444402 /nfs/dbraw/zinc/44/44/02/608444402.db2.gz LLOWKDYLFKWMJX-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM N#Cc1ccc(C2=CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000826384837 608444403 /nfs/dbraw/zinc/44/44/03/608444403.db2.gz LLOWKDYLFKWMJX-UHFFFAOYSA-N -1 3 379.427 3.580 20 30 GHEDHM C[C@H]1CC(=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccsc2S1 ZINC000826232560 608539081 /nfs/dbraw/zinc/53/90/81/608539081.db2.gz XBNPRYNNDPIEJI-ZETCQYMHSA-N -1 3 377.886 3.677 20 30 GHEDHM C[C@H]1CC(=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccsc2S1 ZINC000826232560 608539082 /nfs/dbraw/zinc/53/90/82/608539082.db2.gz XBNPRYNNDPIEJI-ZETCQYMHSA-N -1 3 377.886 3.677 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ncc(Cl)cc1Cl ZINC000823914912 609268070 /nfs/dbraw/zinc/26/80/70/609268070.db2.gz OKIJFTWMKWSIMK-UHFFFAOYSA-N -1 3 375.263 3.757 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ncc(Cl)cc1Cl ZINC000823914912 609268071 /nfs/dbraw/zinc/26/80/71/609268071.db2.gz OKIJFTWMKWSIMK-UHFFFAOYSA-N -1 3 375.263 3.757 20 30 GHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400167 609270602 /nfs/dbraw/zinc/27/06/02/609270602.db2.gz QZUIRRJVLITVMZ-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400167 609270604 /nfs/dbraw/zinc/27/06/04/609270604.db2.gz QZUIRRJVLITVMZ-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403601 609271145 /nfs/dbraw/zinc/27/11/45/609271145.db2.gz WZBTTWFABLYPBO-VURMDHGXSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403601 609271146 /nfs/dbraw/zinc/27/11/46/609271146.db2.gz WZBTTWFABLYPBO-VURMDHGXSA-N -1 3 392.312 3.843 20 30 GHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c2ccccn21 ZINC000824358459 609271207 /nfs/dbraw/zinc/27/12/07/609271207.db2.gz KPWXCOCPHCCHED-CMDGGOBGSA-N -1 3 376.395 3.673 20 30 GHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400821 609272903 /nfs/dbraw/zinc/27/29/03/609272903.db2.gz JDSKKAOSJRYQFY-QPJJXVBHSA-N -1 3 378.285 3.801 20 30 GHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400821 609272904 /nfs/dbraw/zinc/27/29/04/609272904.db2.gz JDSKKAOSJRYQFY-QPJJXVBHSA-N -1 3 378.285 3.801 20 30 GHEDHM CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958395 609276007 /nfs/dbraw/zinc/27/60/07/609276007.db2.gz MGXDGMLPJLLADH-UHFFFAOYSA-N -1 3 380.305 3.741 20 30 GHEDHM CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958395 609276008 /nfs/dbraw/zinc/27/60/08/609276008.db2.gz MGXDGMLPJLLADH-UHFFFAOYSA-N -1 3 380.305 3.741 20 30 GHEDHM C=C(C)CNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823877614 609443034 /nfs/dbraw/zinc/44/30/34/609443034.db2.gz BMBRQLGNUZGPAF-AWEZNQCLSA-N -1 3 378.505 3.635 20 30 GHEDHM C=C(C)CNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823877614 609443035 /nfs/dbraw/zinc/44/30/35/609443035.db2.gz BMBRQLGNUZGPAF-AWEZNQCLSA-N -1 3 378.505 3.635 20 30 GHEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823878421 609452229 /nfs/dbraw/zinc/45/22/29/609452229.db2.gz YJMCPUIKLIKEHE-LLVKDONJSA-N -1 3 399.442 3.791 20 30 GHEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823878421 609452232 /nfs/dbraw/zinc/45/22/32/609452232.db2.gz YJMCPUIKLIKEHE-LLVKDONJSA-N -1 3 399.442 3.791 20 30 GHEDHM CCn1c2ccccc2nc1C(C)=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825782890 609471350 /nfs/dbraw/zinc/47/13/50/609471350.db2.gz UBZQTZXOEBBNQD-UHFFFAOYSA-N -1 3 380.843 3.726 20 30 GHEDHM Clc1cc(NN=Cc2ccccc2Br)ccc1-c1nnn[n-]1 ZINC000826351687 609473881 /nfs/dbraw/zinc/47/38/81/609473881.db2.gz WGIFCFXMAHFTOB-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM Clc1cc(NN=Cc2ccccc2Br)ccc1-c1nn[n-]n1 ZINC000826351687 609473882 /nfs/dbraw/zinc/47/38/82/609473882.db2.gz WGIFCFXMAHFTOB-UHFFFAOYSA-N -1 3 377.633 3.729 20 30 GHEDHM N#Cc1cccc(COc2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)c1 ZINC000826386687 609485226 /nfs/dbraw/zinc/48/52/26/609485226.db2.gz ONWXNWYIUCTODN-UHFFFAOYSA-N -1 3 388.456 3.991 20 30 GHEDHM N#Cc1cccc(COc2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)c1 ZINC000826386687 609485228 /nfs/dbraw/zinc/48/52/28/609485228.db2.gz ONWXNWYIUCTODN-UHFFFAOYSA-N -1 3 388.456 3.991 20 30 GHEDHM COc1cc(C(=O)/C=C\c2cc(O)ccc2Br)c(OC)cc1[O-] ZINC000255077490 837581134 /nfs/dbraw/zinc/58/11/34/837581134.db2.gz ISSDXZUKVIKETG-UTCJRWHESA-N -1 3 379.206 3.774 20 30 GHEDHM COc1ccc2c(c1)C[C@H](C)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]2C ZINC000541000049 837601640 /nfs/dbraw/zinc/60/16/40/837601640.db2.gz BXMFRHPKJKDDHV-XJKSGUPXSA-N -1 3 393.487 3.751 20 30 GHEDHM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000047991980 834461403 /nfs/dbraw/zinc/46/14/03/834461403.db2.gz QYAVZLQOZDOBBS-UHFFFAOYSA-N -1 3 383.404 3.994 20 30 GHEDHM N#CCc1ccc(OCc2ccccc2NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000274724149 834864452 /nfs/dbraw/zinc/86/44/52/834864452.db2.gz ACMMTJHOLJPSLP-HXUWFJFHSA-N -1 3 381.432 3.911 20 30 GHEDHM N#CCc1ccc(OCc2ccccc2NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000274724149 834864467 /nfs/dbraw/zinc/86/44/67/834864467.db2.gz ACMMTJHOLJPSLP-HXUWFJFHSA-N -1 3 381.432 3.911 20 30 GHEDHM O=C1CCC(=O)N1Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255618859 835293341 /nfs/dbraw/zinc/29/33/41/835293341.db2.gz CXWLWUJGCXPFED-UHFFFAOYSA-N -1 3 387.233 3.554 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCSC[C@H]1c1ccccc1 ZINC000893777898 844137526 /nfs/dbraw/zinc/13/75/26/844137526.db2.gz YDCQVQUIUZPLFF-FQEVSTJZSA-N -1 3 395.528 3.915 20 30 GHEDHM N#CC(=C([O-])c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccncn1 ZINC000544816106 844220524 /nfs/dbraw/zinc/22/05/24/844220524.db2.gz WMIFVUZHJZBDTP-GFCCVEGCSA-N -1 3 382.832 3.934 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(F)cc(Cl)c21 ZINC000415893477 838249368 /nfs/dbraw/zinc/24/93/68/838249368.db2.gz PJIPQFKQIGKKDQ-UHFFFAOYSA-N -1 3 387.842 3.980 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CC(C)(C)CC2 ZINC000416096815 838538809 /nfs/dbraw/zinc/53/88/09/838538809.db2.gz FIRQASBABXIXCN-UHFFFAOYSA-N -1 3 384.505 3.818 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066802321 838607825 /nfs/dbraw/zinc/60/78/25/838607825.db2.gz SITNYOLPAVCLAD-CYBMUJFWSA-N -1 3 394.500 3.829 20 30 GHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000122388209 839483269 /nfs/dbraw/zinc/48/32/69/839483269.db2.gz FCOMCVFWUKQGCS-CQSZACIVSA-N -1 3 378.215 3.652 20 30 GHEDHM CO[C@@H](c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)c1cccc(Cl)c1 ZINC000274214241 840964572 /nfs/dbraw/zinc/96/45/72/840964572.db2.gz SWCWGGJSDIUBQR-GOSISDBHSA-N -1 3 398.850 3.833 20 30 GHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c(C)c1 ZINC000601432892 841550142 /nfs/dbraw/zinc/55/01/42/841550142.db2.gz SGQYTIHINDYEQZ-UHFFFAOYSA-N -1 3 392.480 3.908 20 30 GHEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc2c1OCO2 ZINC000123459054 841776114 /nfs/dbraw/zinc/77/61/14/841776114.db2.gz JXFBSJPXFCYZHF-CYBMUJFWSA-N -1 3 377.183 3.683 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123855015 841862133 /nfs/dbraw/zinc/86/21/33/841862133.db2.gz NMSMRECLGZMPPO-GFCCVEGCSA-N -1 3 376.174 3.965 20 30 GHEDHM C#CCn1ccc(CN(CC)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000279645797 843188537 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COC(=O)c1ccc2ccccc2c1NC(=O)c1cc(C#N)c(SC)nc1[O-] ZINC001269542816 850013088 /nfs/dbraw/zinc/01/30/88/850013088.db2.gz JEXLPKOSCIATBX-UHFFFAOYSA-N -1 3 393.424 3.573 20 30 GHEDHM C[C@@H]([N-]C(=O)c1cc(F)c(C(F)(F)F)cc1F)c1noc(C(F)(F)F)n1 ZINC000910750920 851366128 /nfs/dbraw/zinc/36/61/28/851366128.db2.gz ASSSJSUJKBMRQI-SCSAIBSYSA-N -1 3 389.202 3.876 20 30 GHEDHM C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436493890 851969625 /nfs/dbraw/zinc/96/96/25/851969625.db2.gz RFLBAPCFVPHTDK-UHFFFAOYSA-N -1 3 379.460 3.501 20 30 GHEDHM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1nc2ccccc2[nH]1 ZINC000489843696 852604656 /nfs/dbraw/zinc/60/46/56/852604656.db2.gz XWEFKNGDIKDGEW-GFCCVEGCSA-N -1 3 378.342 3.571 20 30 GHEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000329989756 862483077 /nfs/dbraw/zinc/48/30/77/862483077.db2.gz IIXMRRWGVOPTTL-UHFFFAOYSA-N -1 3 379.482 3.571 20 30 GHEDHM C[C@@H]1C[C@H](C)Cc2sc([N-]C(=O)c3cc(Cn4cccn4)on3)c(C#N)c21 ZINC000571170382 853778850 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GHEDHM Cc1cc(C)n(-c2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)n1 ZINC000905486150 856364595 /nfs/dbraw/zinc/36/45/95/856364595.db2.gz UGVXWGACRXXCLZ-UHFFFAOYSA-N -1 3 389.459 3.650 20 30 GHEDHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000172830859 856626172 /nfs/dbraw/zinc/62/61/72/856626172.db2.gz AVYJDIXLAKXLKD-FQEVSTJZSA-N -1 3 393.531 3.974 20 30 GHEDHM N#Cc1ccc(N2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c(Cl)c1 ZINC000508022908 856825500 /nfs/dbraw/zinc/82/55/00/856825500.db2.gz WCGDJOMNFSYJFB-UHFFFAOYSA-N -1 3 376.243 3.533 20 30 GHEDHM Cc1cnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1-c1ccccc1 ZINC000439298380 858982984 /nfs/dbraw/zinc/98/29/84/858982984.db2.gz AJGRNEJKTAMFED-UHFFFAOYSA-N -1 3 387.443 3.612 20 30 GHEDHM CSc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000597645804 859688332 /nfs/dbraw/zinc/68/83/32/859688332.db2.gz VNTFVYIJDLVLQB-UHFFFAOYSA-N -1 3 386.448 3.808 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(O)ccc1O ZINC000727058775 859911026 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867935124 /nfs/dbraw/zinc/93/51/24/867935124.db2.gz YIAGOYMMKIXYSG-UHFFFAOYSA-N -1 3 376.328 3.612 20 30 GHEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(SCC(F)F)cc1 ZINC000743448232 868196775 /nfs/dbraw/zinc/19/67/75/868196775.db2.gz FXUUJSFPJCYCIF-UHFFFAOYSA-N -1 3 398.500 3.930 20 30 GHEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)=O)cn3C)n2)cc1 ZINC000121852442 882268749 /nfs/dbraw/zinc/26/87/49/882268749.db2.gz UYFTUUVKJNOZDC-MRXNPFEDSA-N -1 3 379.441 3.850 20 30 GHEDHM O=S(=O)(Cc1ccccc1)[N-]N=C(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000745197700 869370379 /nfs/dbraw/zinc/37/03/79/869370379.db2.gz RRHPGDBJODVPQV-UHFFFAOYSA-N -1 3 399.903 3.801 20 30 GHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000130116669 870632512 /nfs/dbraw/zinc/63/25/12/870632512.db2.gz UFQACQBMAZXBDP-GFCCVEGCSA-N -1 3 375.743 3.657 20 30 GHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)ccc1Cl ZINC000447262605 871278206 /nfs/dbraw/zinc/27/82/06/871278206.db2.gz FKJNVNQHCSVVLW-UHFFFAOYSA-N -1 3 394.733 3.892 20 30 GHEDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC000557805262 871614771 /nfs/dbraw/zinc/61/47/71/871614771.db2.gz YIFVUVSZOGAFQQ-JQWIXIFHSA-N -1 3 395.278 3.516 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cc1F ZINC001194490038 871743824 /nfs/dbraw/zinc/74/38/24/871743824.db2.gz ACJNJUWIRQFLFX-UHFFFAOYSA-N -1 3 379.775 3.839 20 30 GHEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000921234739 882751364 /nfs/dbraw/zinc/75/13/64/882751364.db2.gz TZVLTASUFUEDCV-UHFFFAOYSA-N -1 3 389.440 3.945 20 30 GHEDHM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464416267 873803631 /nfs/dbraw/zinc/80/36/31/873803631.db2.gz AXNPPMXIIGBZFZ-CQSZACIVSA-N -1 3 376.338 3.684 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(Br)c1 ZINC001197556431 873897274 /nfs/dbraw/zinc/89/72/74/873897274.db2.gz MJASLZOMWUHMRK-UHFFFAOYSA-N -1 3 387.205 3.541 20 30 GHEDHM C[C@](C#N)([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1Cl ZINC001197700661 873989723 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GHEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C)n1-c1cnn(C)c1 ZINC000851037910 877362079 /nfs/dbraw/zinc/36/20/79/877362079.db2.gz IHUYRNNSQAVWRU-MRXNPFEDSA-N -1 3 387.365 3.732 20 30 GHEDHM N#Cc1cccc(-c2nnc(COC(=O)CCCc3ccc([O-])c(F)c3)o2)c1 ZINC000787850031 877669660 /nfs/dbraw/zinc/66/96/60/877669660.db2.gz OIQSEPTYBKBSRK-UHFFFAOYSA-N -1 3 381.363 3.519 20 30 GHEDHM [O-]c1ccc(CN=Nc2nnc(-c3ccccn3)s2)cc1Br ZINC000788032181 877793910 /nfs/dbraw/zinc/79/39/10/877793910.db2.gz PHHQPOWWJMWJHR-UHFFFAOYSA-N -1 3 376.239 3.514 20 30 GHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1[O-] ZINC000788674034 878234020 /nfs/dbraw/zinc/23/40/20/878234020.db2.gz BLASNUKVYAAQTN-WKWNYLMRSA-N -1 3 394.302 3.983 20 30 GHEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1F ZINC000537750164 878237534 /nfs/dbraw/zinc/23/75/34/878237534.db2.gz VHRHDSVMQIIUNL-AWEZNQCLSA-N -1 3 390.333 3.835 20 30 GHEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccsc1Cl ZINC000790145477 879481477 /nfs/dbraw/zinc/48/14/77/879481477.db2.gz BVKIOYBTBYOHFU-LBPRGKRZSA-N -1 3 378.866 3.676 20 30 GHEDHM Fc1cc(Cl)cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000776723856 879666197 /nfs/dbraw/zinc/66/61/97/879666197.db2.gz MYFNYMBQZGAUFC-HNNXBMFYSA-N -1 3 390.827 3.754 20 30 GHEDHM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1OC ZINC000185629708 880640637 /nfs/dbraw/zinc/64/06/37/880640637.db2.gz OYPPUDTVXVOULV-OAHLLOKOSA-N -1 3 399.454 3.820 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2ccc(Cl)cc2)ccc1F ZINC000914473094 883484684 /nfs/dbraw/zinc/48/46/84/883484684.db2.gz XFHXOHGHBSYPJV-UHFFFAOYSA-N -1 3 396.871 3.610 20 30 GHEDHM CCO[C@H](c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)c1ccccc1 ZINC000351010161 885181828 /nfs/dbraw/zinc/18/18/28/885181828.db2.gz XUSVVSPYAHJREV-IBGZPJMESA-N -1 3 378.432 3.570 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2cccc(F)c2Cl)no1 ZINC000762129584 885428005 /nfs/dbraw/zinc/42/80/05/885428005.db2.gz FFFMRHREKZMQJW-UHFFFAOYSA-N -1 3 386.814 3.827 20 30 GHEDHM C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000131101999 885521815 /nfs/dbraw/zinc/52/18/15/885521815.db2.gz AXXHPXOAUYLQAZ-OAQYLSRUSA-N -1 3 393.487 3.567 20 30 GHEDHM COc1ccc(CN=Nc2nccnc2C2CCC2)c(Br)c1[O-] ZINC000807991632 885913545 /nfs/dbraw/zinc/91/35/45/885913545.db2.gz NUOUXVAKPNVWGS-UHFFFAOYSA-N -1 3 377.242 3.667 20 30 GHEDHM CCOc1cc(C(=O)N([O-])Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC001184272737 913090773 /nfs/dbraw/zinc/09/07/73/913090773.db2.gz LHMQMUGPOHEYCR-UHFFFAOYSA-N -1 3 380.784 3.687 20 30 GHEDHM O=C(CC1(Cn2cnnn2)CCCCC1)N([O-])Cc1cccc2ccccc21 ZINC001184341186 913158866 /nfs/dbraw/zinc/15/88/66/913158866.db2.gz VTQOWEKGYOJIFT-UHFFFAOYSA-N -1 3 379.464 3.585 20 30 GHEDHM Cn1nc2cc(Br)ccc2c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001184347868 913160292 /nfs/dbraw/zinc/16/02/92/913160292.db2.gz HTMRFZLZRJYLSS-UHFFFAOYSA-N -1 3 378.201 3.507 20 30 GHEDHM O=C1CCC(=O)N1c1cc(N=Cc2cc(Br)ccc2[O-])ccc1F ZINC000794689233 887815299 /nfs/dbraw/zinc/81/52/99/887815299.db2.gz REAYXWIFDWIHQG-UHFFFAOYSA-N -1 3 391.196 3.698 20 30 GHEDHM COc1cc(/C=C2\COc3cc(F)ccc3C2=O)cc(Br)c1[O-] ZINC000794729090 887954558 /nfs/dbraw/zinc/95/45/58/887954558.db2.gz XTNLZFDSKZTRQI-ONNFQVAWSA-N -1 3 379.181 3.961 20 30 GHEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c(Cl)c1 ZINC000503457634 888449060 /nfs/dbraw/zinc/44/90/60/888449060.db2.gz BBXOLDSXRJNGOG-UHFFFAOYSA-N -1 3 392.761 3.848 20 30 GHEDHM CC(C)Oc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000915946516 888568696 /nfs/dbraw/zinc/56/86/96/888568696.db2.gz LTQIUGOQVKEBIO-SFHVURJKSA-N -1 3 396.472 3.749 20 30 GHEDHM C=C(Cl)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC(C)C)C(=O)OCC ZINC001132418904 888822938 /nfs/dbraw/zinc/82/29/38/888822938.db2.gz ZEYRAHAHLJNEEX-CQSZACIVSA-N -1 3 389.826 3.756 20 30 GHEDHM CCOc1cc(C=NN(C)C(=S)NCc2ccccc2)cc(Cl)c1[O-] ZINC000916278130 888886716 /nfs/dbraw/zinc/88/67/16/888886716.db2.gz BKOXMNNRZVNBGZ-UHFFFAOYSA-N -1 3 377.897 3.785 20 30 GHEDHM COc1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc(Cl)c1[O-] ZINC000916287780 888893837 /nfs/dbraw/zinc/89/38/37/888893837.db2.gz OREVZUNMIRSUEN-UHFFFAOYSA-N -1 3 389.864 3.587 20 30 GHEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000811186455 889271350 /nfs/dbraw/zinc/27/13/50/889271350.db2.gz ODZCKHKKSDCHHA-UHFFFAOYSA-N -1 3 398.724 3.732 20 30 GHEDHM CCOC(=O)C(=Cc1cccc(C#N)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000122166826 889459932 /nfs/dbraw/zinc/45/99/32/889459932.db2.gz HNBYECBTKIMJBQ-OQLLNIDSSA-N -1 3 379.441 3.577 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916925243 890395706 /nfs/dbraw/zinc/39/57/06/890395706.db2.gz JTLQSHRGXBSVFP-AWEZNQCLSA-N -1 3 393.355 3.701 20 30 GHEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1 ZINC000916910388 890411059 /nfs/dbraw/zinc/41/10/59/890411059.db2.gz SUKNDDQHOAZJFB-KRWDZBQOSA-N -1 3 387.395 3.844 20 30 GHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000916913795 890416025 /nfs/dbraw/zinc/41/60/25/890416025.db2.gz YKGYTUCGPFVSPT-GFCCVEGCSA-N -1 3 382.782 3.626 20 30 GHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916937019 890429132 /nfs/dbraw/zinc/42/91/32/890429132.db2.gz AHCVRNRHWACLKY-JTQLQIEISA-N -1 3 385.704 3.854 20 30 GHEDHM C=C(C)[C@@H](CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21)OCC ZINC000871316204 890751919 /nfs/dbraw/zinc/75/19/19/890751919.db2.gz RWQDSLYZEUDLFA-RHSMWYFYSA-N -1 3 398.425 3.557 20 30 GHEDHM COc1cc(Cl)c(F)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000888630403 891781772 /nfs/dbraw/zinc/78/17/72/891781772.db2.gz XHAADESVNZOAAK-UHFFFAOYSA-N -1 3 377.803 3.648 20 30 GHEDHM Cc1ncc(CO)c(C=Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1[O-] ZINC000917557248 892206871 /nfs/dbraw/zinc/20/68/71/892206871.db2.gz CHNOZBREXXCDOW-UHFFFAOYSA-N -1 3 379.391 3.730 20 30 GHEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ncc(Br)cn1 ZINC000814184194 892379948 /nfs/dbraw/zinc/37/99/48/892379948.db2.gz XMLMRRSYJGLNFB-DLZSFMAOSA-N -1 3 385.059 3.887 20 30 GHEDHM N#Cc1cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)cc(C(F)(F)F)c1 ZINC001185134506 913689338 /nfs/dbraw/zinc/68/93/38/913689338.db2.gz ZZELUBNRQZIZSY-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@@](C)(=O)c1cccc(Cl)c1 ZINC001134406642 892775398 /nfs/dbraw/zinc/77/53/98/892775398.db2.gz WGXUMRILLGTCNI-SANMLTNESA-N -1 3 391.880 3.545 20 30 GHEDHM CC(C)(C)n1ncc2c1nc(NN=Cc1ccc3ccccc3c1[O-])[nH]c2=O ZINC000814846817 893233100 /nfs/dbraw/zinc/23/31/00/893233100.db2.gz OBFPYLMNWVGLCM-UHFFFAOYSA-N -1 3 376.420 3.592 20 30 GHEDHM C=C[C@@H](CC)CC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001134788506 893304831 /nfs/dbraw/zinc/30/48/31/893304831.db2.gz DOVWZLRFHWALHB-VIFPVBQESA-N -1 3 380.242 3.653 20 30 GHEDHM Cn1cc(-c2ncc(C(=O)[N-]c3n[nH]c(-c4ccccc4Cl)n3)s2)cn1 ZINC000069966558 894000736 /nfs/dbraw/zinc/00/07/36/894000736.db2.gz QBXLJYPNGXWLHN-UHFFFAOYSA-N -1 3 385.840 3.618 20 30 GHEDHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000878399213 894259553 /nfs/dbraw/zinc/25/95/53/894259553.db2.gz PGVLXWVYXPLZJN-HNNXBMFYSA-N -1 3 386.455 3.644 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(C(C)C)ccc2C1 ZINC001135306530 894349192 /nfs/dbraw/zinc/34/91/92/894349192.db2.gz ZCAGONCCKSWKIT-UHFFFAOYSA-N -1 3 377.488 3.917 20 30 GHEDHM O=C(N[C@H]1CCN([O-])C1=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000820186539 897220676 /nfs/dbraw/zinc/22/06/76/897220676.db2.gz YVIUYBRQPZOALH-ZETCQYMHSA-N -1 3 379.652 3.581 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000820471318 897348140 /nfs/dbraw/zinc/34/81/40/897348140.db2.gz SCWNIORSBFORBC-QGZVFWFLSA-N -1 3 390.892 3.742 20 30 GHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)cc1 ZINC000131213354 897366357 /nfs/dbraw/zinc/36/63/57/897366357.db2.gz WNPWYMXXTFVEHG-IBGZPJMESA-N -1 3 387.443 3.571 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)nc2C)cc1 ZINC000132494394 897808174 /nfs/dbraw/zinc/80/81/74/897808174.db2.gz KPAXWTQIQRKUIW-IBGZPJMESA-N -1 3 384.439 3.976 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000823910144 899296898 /nfs/dbraw/zinc/29/68/98/899296898.db2.gz XXCSVLAMZDDENQ-CQSZACIVSA-N -1 3 394.483 3.563 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000823910144 899296907 /nfs/dbraw/zinc/29/69/07/899296907.db2.gz XXCSVLAMZDDENQ-CQSZACIVSA-N -1 3 394.483 3.563 20 30 GHEDHM CC(C)n1ccc(CC(C)N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000824457240 899640667 /nfs/dbraw/zinc/64/06/67/899640667.db2.gz HVDXNSHOUIWFAU-UHFFFAOYSA-N -1 3 392.389 3.693 20 30 GHEDHM CC(C)n1ccc(CC(C)N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000824457240 899640674 /nfs/dbraw/zinc/64/06/74/899640674.db2.gz HVDXNSHOUIWFAU-UHFFFAOYSA-N -1 3 392.389 3.693 20 30 GHEDHM C#C[C@@H](CC)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC001186359962 914474089 /nfs/dbraw/zinc/47/40/89/914474089.db2.gz PMYYZLFLVWBQEA-HNNXBMFYSA-N -1 3 387.461 3.836 20 30 GHEDHM Cc1nc2cc(F)c(F)cc2n1CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845847066 902492389 /nfs/dbraw/zinc/49/23/89/902492389.db2.gz XWPFONHAIOZBSO-HNNXBMFYSA-N -1 3 393.393 3.633 20 30 GHEDHM Cc1nc2cc(F)c(F)cc2n1CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845847066 902492396 /nfs/dbraw/zinc/49/23/96/902492396.db2.gz XWPFONHAIOZBSO-HNNXBMFYSA-N -1 3 393.393 3.633 20 30 GHEDHM C=C1CN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)C1 ZINC001147024855 903671542 /nfs/dbraw/zinc/67/15/42/903671542.db2.gz NZBAZXBGDLTBPG-UHFFFAOYSA-N -1 3 394.855 3.600 20 30 GHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n([C@H](C)C2CC2)n1 ZINC000777304295 905772044 /nfs/dbraw/zinc/77/20/44/905772044.db2.gz NYQZDQCCKNWDKI-ZBFHGGJFSA-N -1 3 380.448 3.522 20 30 GHEDHM C#CCCOc1ccc(CN2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)cc1 ZINC000901797634 921576207 /nfs/dbraw/zinc/57/62/07/921576207.db2.gz JWOAQFHDTQIISR-UHFFFAOYSA-N -1 3 384.501 3.931 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000273836769 911046181 /nfs/dbraw/zinc/04/61/81/911046181.db2.gz YUKNBUCMMXEMNZ-UHFFFAOYSA-N -1 3 378.432 3.898 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c(C)c1[O-] ZINC001182289819 911425862 /nfs/dbraw/zinc/42/58/62/911425862.db2.gz WZJCKQQKJBRONL-GJZGRUSLSA-N -1 3 382.391 3.630 20 30 GHEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1F ZINC001187001550 914968334 /nfs/dbraw/zinc/96/83/34/914968334.db2.gz ASLIAKNCASQPSN-UHFFFAOYSA-N -1 3 391.168 3.539 20 30 GHEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(Cl)cc(Cl)c1OC ZINC001188130886 915771778 /nfs/dbraw/zinc/77/17/78/915771778.db2.gz KKVQXJRIFFPHMI-UHFFFAOYSA-N -1 3 385.228 3.974 20 30 GHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1 ZINC001188910692 916263188 /nfs/dbraw/zinc/26/31/88/916263188.db2.gz XFQFBMUUCPACHQ-LJQANCHMSA-N -1 3 383.404 3.556 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1F ZINC001189529730 916725144 /nfs/dbraw/zinc/72/51/44/916725144.db2.gz MKDGONQTSTWVQH-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000363052732 917688508 /nfs/dbraw/zinc/68/85/08/917688508.db2.gz DNZZCYIVIBOCSN-KXBFYZLASA-N -1 3 377.488 3.861 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000363276005 918020305 /nfs/dbraw/zinc/02/03/05/918020305.db2.gz GXGJTSRJEHERPM-UHFFFAOYSA-N -1 3 386.455 3.587 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)cc1 ZINC000119907738 919667496 /nfs/dbraw/zinc/66/74/96/919667496.db2.gz WZDQINFPQVCXMR-GOSISDBHSA-N -1 3 376.391 3.535 20 30 GHEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cc(Cn4cccn4)on3)sc21 ZINC000298004816 920069749 /nfs/dbraw/zinc/06/97/49/920069749.db2.gz YZQRIVGOMWZVRQ-NWDGAFQWSA-N -1 3 381.461 3.791 20 30 GHEDHM COC(=O)c1c(F)cccc1NN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000800818903 920491838 /nfs/dbraw/zinc/49/18/38/920491838.db2.gz VOLGSKISEGZTLZ-UHFFFAOYSA-N -1 3 397.200 3.535 20 30 GHEDHM Cc1cc(F)cc(-n2nc(C(=O)N([O-])Cc3ccc(F)cc3)c3c2CCC3)c1 ZINC000901373156 921049542 /nfs/dbraw/zinc/04/95/42/921049542.db2.gz SWQMXPJMGKASJR-UHFFFAOYSA-N -1 3 383.398 3.979 20 30 GHEDHM O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC000901375935 921054202 /nfs/dbraw/zinc/05/42/02/921054202.db2.gz NZHOSZLPARZPHE-UHFFFAOYSA-N -1 3 386.810 3.721 20 30 GHEDHM O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379574 921057497 /nfs/dbraw/zinc/05/74/97/921057497.db2.gz IRNPEAGGFFOYEB-OAHLLOKOSA-N -1 3 393.270 3.760 20 30 GHEDHM CC(=[NH+][N-]c1ccc(Br)nc1)c1ccc(N2CCCC2)cc1[O-] ZINC000748252502 923532260 /nfs/dbraw/zinc/53/22/60/923532260.db2.gz SQLJQAQJWYMZLN-UHFFFAOYSA-N -1 3 375.270 3.986 20 30 GHEDHM O=C(CC(F)(F)F)N1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000726892429 926909543 /nfs/dbraw/zinc/90/95/43/926909543.db2.gz USVPNUWWFJCEFM-UKWGHVSLSA-N -1 3 393.203 3.517 20 30 GHEDHM CCOc1ccc(C(=O)N2CCCCC2)cc1N=Cc1ccc(O)c([O-])c1O ZINC000749930808 927356399 /nfs/dbraw/zinc/35/63/99/927356399.db2.gz NKVXMIJMOKGFNN-UHFFFAOYSA-N -1 3 384.432 3.579 20 30 GHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1sc2nccn2c1C ZINC000780305536 927828971 /nfs/dbraw/zinc/82/89/71/927828971.db2.gz KXBFKTWVAUBMOW-OAHLLOKOSA-N -1 3 380.473 3.790 20 30 GHEDHM C#CC[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000750778431 927844373 /nfs/dbraw/zinc/84/43/73/927844373.db2.gz OQWRNTFAWVKAAZ-IBGZPJMESA-N -1 3 387.432 3.585 20 30 GHEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nc2ccccc2s1 ZINC000751104946 928031481 /nfs/dbraw/zinc/03/14/81/928031481.db2.gz KPPBFTZTARYPFK-SNVBAGLBSA-N -1 3 377.878 3.861 20 30 GHEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(O)cc(O)c1 ZINC000753696326 929485817 /nfs/dbraw/zinc/48/58/17/929485817.db2.gz DSADYDAAUUKPRD-UHFFFAOYSA-N -1 3 397.456 3.735 20 30 GHEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C(C)=Cc1ccc(F)cc1 ZINC000759242600 930318548 /nfs/dbraw/zinc/31/85/48/930318548.db2.gz PCCVAUIXNPFUBP-LUJNMSEFSA-N -1 3 396.418 3.942 20 30 GHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)c(C(F)(F)F)c(F)c2)cc1 ZINC000759439533 930368768 /nfs/dbraw/zinc/36/87/68/930368768.db2.gz ZNWGUPJKLYFVAA-GFCCVEGCSA-N -1 3 398.287 3.953 20 30 GHEDHM N#CC(=C([O-])c1ccccc1SCc1cn2ccccc2n1)c1ccncn1 ZINC000546859580 930493680 /nfs/dbraw/zinc/49/36/80/930493680.db2.gz MCPHKJOPWVCAGG-KRWDZBQOSA-N -1 3 385.452 3.907 20 30 GHEDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC000557805264 931697163 /nfs/dbraw/zinc/69/71/63/931697163.db2.gz YIFVUVSZOGAFQQ-ZYHUDNBSSA-N -1 3 395.278 3.516 20 30 GHEDHM N#CC(=C([O-])c1ccc(CN2CCSCC2)cc1)c1nc2ccccc2o1 ZINC000558184254 931876697 /nfs/dbraw/zinc/87/66/97/931876697.db2.gz VIBKPJQTKIFELF-QGZVFWFLSA-N -1 3 377.469 3.867 20 30 GHEDHM CCCc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1-c1cccc(C#N)c1 ZINC000784713175 931985777 /nfs/dbraw/zinc/98/57/77/931985777.db2.gz IIPOMHYNZDKNLW-UHFFFAOYSA-N -1 3 376.416 3.668 20 30 GHEDHM C[C@@H]1[C@@H](/N=C\c2cc(Br)ccc2[O-])CC(=O)N1Cc1ccccc1 ZINC000798343631 932606258 /nfs/dbraw/zinc/60/62/58/932606258.db2.gz MPXWVXYDAABGCD-KNXMRVRDSA-N -1 3 387.277 3.763 20 30 GHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CN3CCCCC3)o2)cc1 ZINC001122542627 934894866 /nfs/dbraw/zinc/89/48/66/934894866.db2.gz RALRVNXXOBJLGB-IBGZPJMESA-N -1 3 379.460 3.789 20 30 GHEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC001573281390 946677277 /nfs/dbraw/zinc/67/72/77/946677277.db2.gz YJIONXIGTJPTGQ-HNNXBMFYSA-N -1 3 388.431 3.536 20 30 GHEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC001573281390 946677280 /nfs/dbraw/zinc/67/72/80/946677280.db2.gz YJIONXIGTJPTGQ-HNNXBMFYSA-N -1 3 388.431 3.536 20 30 GHEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(-c3nnn[n-]3)c2)cc1 ZINC001573290597 946906951 /nfs/dbraw/zinc/90/69/51/946906951.db2.gz MJDGETWXLUQLER-UHFFFAOYSA-N -1 3 381.395 3.893 20 30 GHEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(-c3nn[n-]n3)c2)cc1 ZINC001573290597 946906956 /nfs/dbraw/zinc/90/69/56/946906956.db2.gz MJDGETWXLUQLER-UHFFFAOYSA-N -1 3 381.395 3.893 20 30 GHEDHM C=CCCC(C)(C)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001573327243 947383386 /nfs/dbraw/zinc/38/33/86/947383386.db2.gz ATKTVLFYTXMYPB-UHFFFAOYSA-N -1 3 384.362 3.632 20 30 GHEDHM C=CCCC(C)(C)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001573327243 947383399 /nfs/dbraw/zinc/38/33/99/947383399.db2.gz ATKTVLFYTXMYPB-UHFFFAOYSA-N -1 3 384.362 3.632 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001573330042 947429861 /nfs/dbraw/zinc/42/98/61/947429861.db2.gz SMQQARDRRQJGSG-DGCLKSJQSA-N -1 3 392.410 3.725 20 30 GHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001573330042 947429865 /nfs/dbraw/zinc/42/98/65/947429865.db2.gz SMQQARDRRQJGSG-DGCLKSJQSA-N -1 3 392.410 3.725 20 30 GHEDHM C=CCCC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001573334186 947449496 /nfs/dbraw/zinc/44/94/96/947449496.db2.gz AJJOCKFKGWMXLG-KRWDZBQOSA-N -1 3 377.448 3.954 20 30 GHEDHM C=CCCC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001573334186 947449503 /nfs/dbraw/zinc/44/95/03/947449503.db2.gz AJJOCKFKGWMXLG-KRWDZBQOSA-N -1 3 377.448 3.954 20 30 GHEDHM C=CCCCCCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC001573334664 947461813 /nfs/dbraw/zinc/46/18/13/947461813.db2.gz HNFWCHOUJQPXOO-UHFFFAOYSA-N -1 3 388.541 3.532 20 30 GHEDHM C=CCCCCCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC001573334664 947461821 /nfs/dbraw/zinc/46/18/21/947461821.db2.gz HNFWCHOUJQPXOO-UHFFFAOYSA-N -1 3 388.541 3.532 20 30 GHEDHM C=CCCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCCCCC1 ZINC001573335474 947479211 /nfs/dbraw/zinc/47/92/11/947479211.db2.gz OYYXXIVSUKPIDO-UHFFFAOYSA-N -1 3 392.511 3.862 20 30 GHEDHM C=CCCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCCCCC1 ZINC001573335474 947479217 /nfs/dbraw/zinc/47/92/17/947479217.db2.gz OYYXXIVSUKPIDO-UHFFFAOYSA-N -1 3 392.511 3.862 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001573341294 947530702 /nfs/dbraw/zinc/53/07/02/947530702.db2.gz LAPKQWHCGSXIFB-CMKODMSKSA-N -1 3 379.508 3.988 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001573341294 947530707 /nfs/dbraw/zinc/53/07/07/947530707.db2.gz LAPKQWHCGSXIFB-CMKODMSKSA-N -1 3 379.508 3.988 20 30 GHEDHM Cc1coc([N-]C(=O)c2nn(C(=O)OC(C)(C)C)c3ccc(F)cc32)c1C#N ZINC001154355372 1032061434 /nfs/dbraw/zinc/06/14/34/1032061434.db2.gz QJOOUQMPBIPRNZ-UHFFFAOYSA-N -1 3 384.367 3.984 20 30 GHEDHM CCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1ccccc1 ZINC000468199383 1015397058 /nfs/dbraw/zinc/39/70/58/1015397058.db2.gz OQSAHVUFGLWMKU-UHFFFAOYSA-N -1 3 389.459 3.595 20 30 GHEDHM CC(C)(C)OC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001590315244 989743725 /nfs/dbraw/zinc/74/37/25/989743725.db2.gz MOPVRYZSMYLCGL-SFHVURJKSA-N -1 3 381.432 3.821 20 30 GHEDHM C=CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000468382839 1015649912 /nfs/dbraw/zinc/64/99/12/1015649912.db2.gz KPEYOMGXNZHUEI-UHFFFAOYSA-N -1 3 376.453 3.631 20 30 GHEDHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)oc1-c1ccc(Cl)cc1 ZINC000545352260 1015799335 /nfs/dbraw/zinc/79/93/35/1015799335.db2.gz WQUBPGOKEHIRLF-UHFFFAOYSA-N -1 3 393.896 3.807 20 30 GHEDHM COc1cccc2c(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ncnc12 ZINC001155909627 1032785757 /nfs/dbraw/zinc/78/57/57/1032785757.db2.gz SUABVWWCMQMJAD-UHFFFAOYSA-N -1 3 378.310 3.785 20 30 GHEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2c1CCCC2 ZINC000835064247 1021843748 /nfs/dbraw/zinc/84/37/48/1021843748.db2.gz FPAAQAGMUYNVIA-AWEZNQCLSA-N -1 3 391.258 3.567 20 30 GHEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3nnc(-c4cccnc4)[n-]3)[C@@H]12 ZINC001228696999 1033053176 /nfs/dbraw/zinc/05/31/76/1033053176.db2.gz CXKHATLDPPAEJB-VDNWNZSNSA-N -1 3 392.459 3.622 20 30 GHEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3nc(-c4cccnc4)n[n-]3)[C@@H]12 ZINC001228696999 1033053191 /nfs/dbraw/zinc/05/31/91/1033053191.db2.gz CXKHATLDPPAEJB-VDNWNZSNSA-N -1 3 392.459 3.622 20 30 GHEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3n[n-]c(-c4cccnc4)n3)[C@@H]12 ZINC001228696999 1033053199 /nfs/dbraw/zinc/05/31/99/1033053199.db2.gz CXKHATLDPPAEJB-VDNWNZSNSA-N -1 3 392.459 3.622 20 30 GHEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CCC(c2ccc(C#N)cc2)CC1 ZINC001156765697 1033230825 /nfs/dbraw/zinc/23/08/25/1033230825.db2.gz QCVKILVAMOHMOT-UHFFFAOYSA-N -1 3 395.850 3.654 20 30 GHEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000838141144 1024943178 /nfs/dbraw/zinc/94/31/78/1024943178.db2.gz FDGZBPWIQQDWQC-INIZCTEOSA-N -1 3 398.434 3.569 20 30 GHEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC001141464192 1025127371 /nfs/dbraw/zinc/12/73/71/1025127371.db2.gz ZHZNIOGNWTYGAO-GFCCVEGCSA-N -1 3 385.272 3.832 20 30 GHEDHM COc1cnccc1[C@@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])C1CC1 ZINC001163397963 1026179527 /nfs/dbraw/zinc/17/95/27/1026179527.db2.gz UJESZGLPVOSCPB-KUJOXMSCSA-N -1 3 379.873 3.627 20 30 GHEDHM O=[N+]([O-])c1c[nH]c2nc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ccc12 ZINC001163764969 1026307822 /nfs/dbraw/zinc/30/78/22/1026307822.db2.gz IEVYXGMTIPWXNZ-UHFFFAOYSA-N -1 3 381.270 3.618 20 30 GHEDHM COC(=O)c1noc2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc21 ZINC001163769901 1026311672 /nfs/dbraw/zinc/31/16/72/1026311672.db2.gz COCZWYCODHMVCH-UHFFFAOYSA-N -1 3 395.293 3.761 20 30 GHEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cc(Br)ccc1[O-])CCO2 ZINC001203643875 1027501359 /nfs/dbraw/zinc/50/13/59/1027501359.db2.gz QWPYWZJHBNQEFP-QFBILLFUSA-N -1 3 396.325 3.728 20 30 GHEDHM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142109180 1028126519 /nfs/dbraw/zinc/12/65/19/1028126519.db2.gz IVHVLMJCVKZSIG-QGZVFWFLSA-N -1 3 397.306 3.612 20 30 GHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841355334 1028484046 /nfs/dbraw/zinc/48/40/46/1028484046.db2.gz WGMDTRPDXGJFEP-UHFFFAOYSA-N -1 3 398.772 3.914 20 30 GHEDHM CC(C)(C)OC(=O)C1(C/N=C/c2cc(Br)ccc2[O-])CCOCC1 ZINC000843263430 1029873995 /nfs/dbraw/zinc/87/39/95/1029873995.db2.gz BDVWZWCNKVBXTE-RGVLZGJSSA-N -1 3 398.297 3.712 20 30 GHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c[nH]c3cnc(Cl)cc32)c(C)c1[O-] ZINC001154230497 1031994895 /nfs/dbraw/zinc/99/48/95/1031994895.db2.gz CMBQCKGKYGGZFF-UHFFFAOYSA-N -1 3 398.806 3.531 20 30 GHEDHM CC(C)=CCCC1=CC(=O)c2c([O-])ccc(OC(=O)CCC[C@@H](C)O)c2C1=O ZINC001231218424 1034467940 /nfs/dbraw/zinc/46/79/40/1034467940.db2.gz JTGHXABXFUCTOX-CQSZACIVSA-N -1 3 386.444 3.901 20 30 GHEDHM COc1ccc2c(c1)C[C@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])CC2 ZINC001159360824 1034563018 /nfs/dbraw/zinc/56/30/18/1034563018.db2.gz INYOWTUFIWSVAF-DKSCHZSNSA-N -1 3 378.885 3.638 20 30 GHEDHM COc1ncccc1[C@@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])C1CC1 ZINC001161782539 1035300969 /nfs/dbraw/zinc/30/09/69/1035300969.db2.gz JBDUUELBWLPLBS-KEGHGJGQSA-N -1 3 379.873 3.627 20 30 GHEDHM COc1ccc(C(=O)NCCCC(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC001161837544 1035312534 /nfs/dbraw/zinc/31/25/34/1035312534.db2.gz NNCBXVGOEPWCCB-UHFFFAOYSA-N -1 3 392.455 3.776 20 30 GHEDHM O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N([O-])Cc1cccc2ccccc21 ZINC001161842696 1035313605 /nfs/dbraw/zinc/31/36/05/1035313605.db2.gz MELVHIOMZHSOLY-QGZVFWFLSA-N -1 3 378.403 3.750 20 30 GHEDHM O=C(c1cc(I)ccc1F)N([O-])Cc1ccc(F)cc1 ZINC001161842910 1035313709 /nfs/dbraw/zinc/31/37/09/1035313709.db2.gz SYEJCHTWKTULNY-UHFFFAOYSA-N -1 3 389.139 3.601 20 30 GHEDHM CSCC[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC001161850124 1035315021 /nfs/dbraw/zinc/31/50/21/1035315021.db2.gz XPZUNSJWAYUJIL-HNNXBMFYSA-N -1 3 386.489 3.580 20 30 GHEDHM N#Cc1cccc(-c2cc(C(F)(F)F)c(-c3ccc(-c4nnn[n-]4)cc3)nn2)c1 ZINC001241443761 1035581665 /nfs/dbraw/zinc/58/16/65/1035581665.db2.gz ZGPZCTSIHNLCMD-UHFFFAOYSA-N -1 3 393.332 3.881 20 30 GHEDHM N#Cc1cccc(-c2cc(C(F)(F)F)c(-c3ccc(-c4nn[n-]n4)cc3)nn2)c1 ZINC001241443761 1035581674 /nfs/dbraw/zinc/58/16/74/1035581674.db2.gz ZGPZCTSIHNLCMD-UHFFFAOYSA-N -1 3 393.332 3.881 20 30 GHEDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CC[C@](C)(C#N)C3)c2)nc1C ZINC001232454311 1038237862 /nfs/dbraw/zinc/23/78/62/1038237862.db2.gz LNCOWMPBVCFZKJ-HXUWFJFHSA-N -1 3 385.489 3.736 20 30 GHEDHM COC(=O)c1cc(Br)c([O-])c(CN(CCC#N)C2CCCC2)c1 ZINC001233307648 1039098740 /nfs/dbraw/zinc/09/87/40/1039098740.db2.gz LXWWPISSNYIPBJ-UHFFFAOYSA-N -1 3 381.270 3.600 20 30 GHEDHM C#C[C@H](Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O)c1ccncc1 ZINC001234131241 1039870409 /nfs/dbraw/zinc/87/04/09/1039870409.db2.gz NECVWQGUEJEMBS-SFHVURJKSA-N -1 3 399.402 3.633 20 30 GHEDHM CC(C)CCOC(=O)[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234510457 1040088773 /nfs/dbraw/zinc/08/87/73/1040088773.db2.gz ASYBIFOOHQCMFG-IBGZPJMESA-N -1 3 391.427 3.916 20 30 GHEDHM N#C[C@H](Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12)c1ccccc1 ZINC001234748565 1040275319 /nfs/dbraw/zinc/27/53/19/1040275319.db2.gz KQYSJQANBDOHOW-IBGZPJMESA-N -1 3 375.336 3.707 20 30 GHEDHM COc1c([O-])cc2c(c1OC1=C(C)O[C@@H](C)C1=O)C(=O)C[C@@H](c1ccccc1)O2 ZINC001234759991 1040289268 /nfs/dbraw/zinc/28/92/68/1040289268.db2.gz STENNOXRGMNWQQ-ZBEGNZNMSA-N -1 3 396.395 3.705 20 30 GHEDHM C#CC[C@H](C)Oc1cc(OC)c(OC)c2oc(-c3ccccc3[O-])cc(=O)c12 ZINC001234783927 1040314765 /nfs/dbraw/zinc/31/47/65/1040314765.db2.gz KYCXYJDFQTUYOR-ZDUSSCGKSA-N -1 3 380.396 3.973 20 30 GHEDHM Cc1c(Cl)c(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC001236110552 1041541104 /nfs/dbraw/zinc/54/11/04/1041541104.db2.gz AXLLYMAMSCGTJA-ZDUSSCGKSA-N -1 3 387.823 3.753 20 30 GHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2scnc2c1Br ZINC001258279319 1044490254 /nfs/dbraw/zinc/49/02/54/1044490254.db2.gz ZRQBWOBKOIQJED-UHFFFAOYSA-N -1 3 394.275 3.731 20 30 GHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)c(F)cc2F)c1 ZINC001259124278 1044971320 /nfs/dbraw/zinc/97/13/20/1044971320.db2.gz FJWXOPJTQDKBLI-UHFFFAOYSA-N -1 3 378.278 3.536 20 30 GHEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c(F)c1 ZINC001259156847 1044982267 /nfs/dbraw/zinc/98/22/67/1044982267.db2.gz AKZPWOPWYFTDAC-UHFFFAOYSA-N -1 3 386.404 3.518 20 30 GHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)cc1F ZINC001260145787 1045395995 /nfs/dbraw/zinc/39/59/95/1045395995.db2.gz CTGCKNCOIUHKCZ-UHFFFAOYSA-N -1 3 387.367 3.825 20 30 GHEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1F ZINC001260500347 1045519385 /nfs/dbraw/zinc/51/93/85/1045519385.db2.gz HIBFVLVFGGOLIV-UHFFFAOYSA-N -1 3 396.268 3.675 20 30 GHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(F)c1F ZINC001260897289 1045753029 /nfs/dbraw/zinc/75/30/29/1045753029.db2.gz KVDUMPCQUYVKMA-UHFFFAOYSA-N -1 3 376.306 3.797 20 30 GHEDHM C=C(C)Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC[C@H](C#N)C1 ZINC001263280224 1046674036 /nfs/dbraw/zinc/67/40/36/1046674036.db2.gz DIMNKPRMQIWNOY-OAHLLOKOSA-N -1 3 385.899 3.738 20 30 GHEDHM O=C(CCC(=O)N([O-])CCCCc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC001306896095 1048949695 /nfs/dbraw/zinc/94/96/95/1048949695.db2.gz JOJUKFMYBJVNQK-UHFFFAOYSA-N -1 3 394.471 3.775 20 30 GHEDHM O=C(CN1C(=O)C(F)(F)Oc2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC001306900790 1048952490 /nfs/dbraw/zinc/95/24/90/1048952490.db2.gz RICQANYNRDOZTA-UHFFFAOYSA-N -1 3 398.365 3.576 20 30 GHEDHM C=CCC[C@@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001337489387 1052485406 /nfs/dbraw/zinc/48/54/06/1052485406.db2.gz WLCJBMBFOVMIMS-CYBMUJFWSA-N -1 3 375.266 3.861 20 30 GHEDHM CCn1ccnc1C(C#N)=C([O-])c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC001344875672 1054781793 /nfs/dbraw/zinc/78/17/93/1054781793.db2.gz WUJJDJMYLAMIKL-CQSZACIVSA-N -1 3 396.472 3.842 20 30 GHEDHM N#CC1CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2CC2CC2)CC1 ZINC001345271290 1054968213 /nfs/dbraw/zinc/96/82/13/1054968213.db2.gz QMFBTZSOPKPXEP-UHFFFAOYSA-N -1 3 385.899 3.572 20 30 GHEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc2cnccc12 ZINC001320007664 1055594079 /nfs/dbraw/zinc/59/40/79/1055594079.db2.gz MMOGJIHIOKFSHV-UHFFFAOYSA-N -1 3 376.441 3.589 20 30 GHEDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3c(C#N)cnc4c(Cl)cccc43)C2)n1 ZINC001339814465 1059495646 /nfs/dbraw/zinc/49/56/46/1059495646.db2.gz BRVBZAASNXHEKI-AWEZNQCLSA-N -1 3 394.866 3.645 20 30 GHEDHM Cn1nc(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001341784396 1060891452 /nfs/dbraw/zinc/89/14/52/1060891452.db2.gz DRGFDCLRCKUWLC-HNNXBMFYSA-N -1 3 394.866 3.548 20 30 GHEDHM C=CCC1(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC001454923788 1061957667 /nfs/dbraw/zinc/95/76/67/1061957667.db2.gz QGPBMVPTRQKVIV-AWEZNQCLSA-N -1 3 380.410 3.932 20 30 GHEDHM CCOc1c(Cl)cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1OC ZINC001347064351 1062082727 /nfs/dbraw/zinc/08/27/27/1062082727.db2.gz XDKVQKRLCKZUII-ZDUSSCGKSA-N -1 3 396.834 3.763 20 30 GHEDHM N#CCC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC2CC2)CC1 ZINC001347062762 1062082823 /nfs/dbraw/zinc/08/28/23/1062082823.db2.gz QXAGSWKDJIPKFO-UHFFFAOYSA-N -1 3 394.504 3.800 20 30 GHEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC001458008315 1063504503 /nfs/dbraw/zinc/50/45/03/1063504503.db2.gz MZOWFUFLYBGVDA-HNNXBMFYSA-N -1 3 398.450 3.938 20 30 GHEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001351452476 1064453902 /nfs/dbraw/zinc/45/39/02/1064453902.db2.gz GOEQOSSWBYBKLB-QGZVFWFLSA-N -1 3 389.431 3.682 20 30 GHEDHM N#Cc1ccc(N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)c(F)c1 ZINC001464703016 1065165353 /nfs/dbraw/zinc/16/53/53/1065165353.db2.gz SDBIGAKSFYDQSC-UHFFFAOYSA-N -1 3 381.432 3.580 20 30 GHEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001468309327 1067678347 /nfs/dbraw/zinc/67/83/47/1067678347.db2.gz BBLBIKRIRHCXJL-UHFFFAOYSA-N -1 3 384.395 3.971 20 30 GHEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCC(C)(C)CC2)ccc1F ZINC001460938962 1069286242 /nfs/dbraw/zinc/28/62/42/1069286242.db2.gz OVCJTMDFSFDNCO-UHFFFAOYSA-N -1 3 396.528 3.626 20 30 GHEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001474973493 1074661430 /nfs/dbraw/zinc/66/14/30/1074661430.db2.gz HGCDJPMHIUXMMY-UHFFFAOYSA-N -1 3 386.498 3.853 20 30 GHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(O)ccc1Br ZINC000823504285 607252578 /nfs/dbraw/zinc/25/25/78/607252578.db2.gz OMGWKUQOKSRCAU-FLIBITNWSA-N -1 3 397.232 3.547 20 30 GHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(O)ccc1Br ZINC000823504285 607252579 /nfs/dbraw/zinc/25/25/79/607252579.db2.gz OMGWKUQOKSRCAU-FLIBITNWSA-N -1 3 397.232 3.547 20 30 GHEDHM O=C1c2cccc(Br)c2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289234 598862312 /nfs/dbraw/zinc/86/23/12/598862312.db2.gz HLMTXPXCYUGCOH-JLHYYAGUSA-N -1 3 397.232 3.678 20 30 GHEDHM O=C1c2cccc(Br)c2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289234 598862313 /nfs/dbraw/zinc/86/23/13/598862313.db2.gz HLMTXPXCYUGCOH-JLHYYAGUSA-N -1 3 397.232 3.678 20 30 GHEDHM N#Cc1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC000737710188 598917968 /nfs/dbraw/zinc/91/79/68/598917968.db2.gz VBGCWPNNWXZIPF-UHFFFAOYSA-N -1 3 386.440 3.622 20 30 GHEDHM N#Cc1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC000737710188 598917969 /nfs/dbraw/zinc/91/79/69/598917969.db2.gz VBGCWPNNWXZIPF-UHFFFAOYSA-N -1 3 386.440 3.622 20 30 GHEDHM N#Cc1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737719430 598919754 /nfs/dbraw/zinc/91/97/54/598919754.db2.gz QJCRYDWQNHXIAL-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM N#Cc1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737719430 598919755 /nfs/dbraw/zinc/91/97/55/598919755.db2.gz QJCRYDWQNHXIAL-UHFFFAOYSA-N -1 3 390.403 3.858 20 30 GHEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000737717108 598920834 /nfs/dbraw/zinc/92/08/34/598920834.db2.gz YVLHLOCVBBHEJA-UHFFFAOYSA-N -1 3 380.411 3.587 20 30 GHEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000737717108 598920836 /nfs/dbraw/zinc/92/08/36/598920836.db2.gz YVLHLOCVBBHEJA-UHFFFAOYSA-N -1 3 380.411 3.587 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(Cl)c1OC ZINC000821713270 599110704 /nfs/dbraw/zinc/11/07/04/599110704.db2.gz TZLIUSKFICAUDX-QPEQYQDCSA-N -1 3 396.834 3.750 20 30 GHEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(Cl)c1OC ZINC000821713270 599110706 /nfs/dbraw/zinc/11/07/06/599110706.db2.gz TZLIUSKFICAUDX-QPEQYQDCSA-N -1 3 396.834 3.750 20 30 GHEDHM COc1ccc(C=CC(=O)c2nc(-c3ccccc3)cs2)cc1-c1nnn[n-]1 ZINC000737081218 599154775 /nfs/dbraw/zinc/15/47/75/599154775.db2.gz LSYBUSIFSLVFHA-CLFYSBASSA-N -1 3 389.440 3.895 20 30 GHEDHM COc1ccc(C=CC(=O)c2nc(-c3ccccc3)cs2)cc1-c1nn[n-]n1 ZINC000737081218 599154778 /nfs/dbraw/zinc/15/47/78/599154778.db2.gz LSYBUSIFSLVFHA-CLFYSBASSA-N -1 3 389.440 3.895 20 30 GHEDHM COc1ccc(C=CC(=O)c2nc(-c3ccccc3)cs2)cc1-c1nnn[n-]1 ZINC000737081220 599154896 /nfs/dbraw/zinc/15/48/96/599154896.db2.gz LSYBUSIFSLVFHA-VQHVLOKHSA-N -1 3 389.440 3.895 20 30 GHEDHM COc1ccc(C=CC(=O)c2nc(-c3ccccc3)cs2)cc1-c1nn[n-]n1 ZINC000737081220 599154899 /nfs/dbraw/zinc/15/48/99/599154899.db2.gz LSYBUSIFSLVFHA-VQHVLOKHSA-N -1 3 389.440 3.895 20 30 GHEDHM COc1ccc(C=CC(=O)c2sc(C(C)(C)C)nc2C)cc1-c1nnn[n-]1 ZINC000737080542 599155369 /nfs/dbraw/zinc/15/53/69/599155369.db2.gz CLSGSQGHXQQILW-VURMDHGXSA-N -1 3 383.477 3.834 20 30 GHEDHM COc1ccc(C=CC(=O)c2sc(C(C)(C)C)nc2C)cc1-c1nn[n-]n1 ZINC000737080542 599155372 /nfs/dbraw/zinc/15/53/72/599155372.db2.gz CLSGSQGHXQQILW-VURMDHGXSA-N -1 3 383.477 3.834 20 30 GHEDHM Cc1c(C(=O)C=Cc2ccc(C)c(C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737328501 599157643 /nfs/dbraw/zinc/15/76/43/599157643.db2.gz DGOSKNLZFPJNGD-IZZDOVSWSA-N -1 3 384.443 3.874 20 30 GHEDHM Cc1nn(-c2ccccc2)c(CSc2ccc(-c3nnn[n-]3)cc2F)c1C#N ZINC000737502829 599169450 /nfs/dbraw/zinc/16/94/50/599169450.db2.gz BSWGMYSKYZVWFB-UHFFFAOYSA-N -1 3 391.435 3.664 20 30 GHEDHM Cc1nn(-c2ccccc2)c(CSc2ccc(-c3nn[n-]n3)cc2F)c1C#N ZINC000737502829 599169453 /nfs/dbraw/zinc/16/94/53/599169453.db2.gz BSWGMYSKYZVWFB-UHFFFAOYSA-N -1 3 391.435 3.664 20 30 GHEDHM COc1ccc2cc(C=CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000737119004 599193304 /nfs/dbraw/zinc/19/33/04/599193304.db2.gz JXGCEOASXGTAGH-OQFOIZHKSA-N -1 3 396.410 3.552 20 30 GHEDHM COc1ccc2cc(C=CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000737119004 599193306 /nfs/dbraw/zinc/19/33/06/599193306.db2.gz JXGCEOASXGTAGH-OQFOIZHKSA-N -1 3 396.410 3.552 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737706765 599197651 /nfs/dbraw/zinc/19/76/51/599197651.db2.gz YWRXCELHXNWQPN-WOJBJXKFSA-N -1 3 380.411 3.634 20 30 GHEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737706765 599197652 /nfs/dbraw/zinc/19/76/52/599197652.db2.gz YWRXCELHXNWQPN-WOJBJXKFSA-N -1 3 380.411 3.634 20 30 GHEDHM C[C@H](CC#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735977803 599219951 /nfs/dbraw/zinc/21/99/51/599219951.db2.gz XWSXUYGOGPIWFP-LLVKDONJSA-N -1 3 383.795 3.771 20 30 GHEDHM C[C@H](CC#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735977803 599219953 /nfs/dbraw/zinc/21/99/53/599219953.db2.gz XWSXUYGOGPIWFP-LLVKDONJSA-N -1 3 383.795 3.771 20 30 GHEDHM O=C1C(=Cc2ccc(Oc3cnccn3)cc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503735 599237884 /nfs/dbraw/zinc/23/78/84/599237884.db2.gz HZZXYYROXMAEJZ-LFIBNONCSA-N -1 3 396.410 3.662 20 30 GHEDHM O=C1C(=Cc2ccc(Oc3cnccn3)cc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503735 599237886 /nfs/dbraw/zinc/23/78/86/599237886.db2.gz HZZXYYROXMAEJZ-LFIBNONCSA-N -1 3 396.410 3.662 20 30 GHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C)cc1O ZINC000735450846 598313705 /nfs/dbraw/zinc/31/37/05/598313705.db2.gz GBSMKNJKQJAWLX-UHFFFAOYSA-N -1 3 376.342 3.736 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccc(-n3ccnc3)cc2)ccc1-c1nnn[n-]1 ZINC000737632055 598315721 /nfs/dbraw/zinc/31/57/21/598315721.db2.gz JGEPOXHKGNUPLE-UHFFFAOYSA-N -1 3 398.352 3.517 20 30 GHEDHM FC(F)(F)c1cc(NN=Cc2ccc(-n3ccnc3)cc2)ccc1-c1nn[n-]n1 ZINC000737632055 598315723 /nfs/dbraw/zinc/31/57/23/598315723.db2.gz JGEPOXHKGNUPLE-UHFFFAOYSA-N -1 3 398.352 3.517 20 30 GHEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000736193150 598607264 /nfs/dbraw/zinc/60/72/64/598607264.db2.gz PVBMGLBBPZHDFR-QMMMGPOBSA-N -1 3 391.382 3.588 20 30 GHEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000736193150 598607267 /nfs/dbraw/zinc/60/72/67/598607267.db2.gz PVBMGLBBPZHDFR-QMMMGPOBSA-N -1 3 391.382 3.588 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@H]1CCC ZINC000735420710 598633877 /nfs/dbraw/zinc/63/38/77/598633877.db2.gz QRYTYMOSWVITJP-MJGOQNOKSA-N -1 3 382.512 3.923 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@H]1CCC ZINC000735420710 598633879 /nfs/dbraw/zinc/63/38/79/598633879.db2.gz QRYTYMOSWVITJP-MJGOQNOKSA-N -1 3 382.512 3.923 20 30 GHEDHM Clc1ccc(OC[C@@H]2CCCO2)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822578892 599338294 /nfs/dbraw/zinc/33/82/94/599338294.db2.gz SRLYUFAKFSJSMO-KRWDZBQOSA-N -1 3 398.854 3.524 20 30 GHEDHM N#Cc1cccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737730906 599563197 /nfs/dbraw/zinc/56/31/97/599563197.db2.gz RNNSTQXJIRUWFX-UHFFFAOYSA-N -1 3 381.399 3.734 20 30 GHEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000819758994 599631729 /nfs/dbraw/zinc/63/17/29/599631729.db2.gz KILGZBRJXCVYNH-UHFFFAOYSA-N -1 3 389.337 3.703 20 30 GHEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000819758994 599631730 /nfs/dbraw/zinc/63/17/30/599631730.db2.gz KILGZBRJXCVYNH-UHFFFAOYSA-N -1 3 389.337 3.703 20 30 GHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000736662742 600595610 /nfs/dbraw/zinc/59/56/10/600595610.db2.gz SSJGMZHCYSZVNS-PXAZEXFGSA-N -1 3 378.350 3.976 20 30 GHEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(SC)cc1OC ZINC000737880701 600795442 /nfs/dbraw/zinc/79/54/42/600795442.db2.gz HVKRVOYWAOIMCG-IBGZPJMESA-N -1 3 386.473 3.555 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3ccccn3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826233957 607646580 /nfs/dbraw/zinc/64/65/80/607646580.db2.gz BGXJQPJEJHSBTG-ZHACJKMWSA-N -1 3 396.454 3.881 20 30 GHEDHM Cc1c(C(=O)C=Cc2cccc(-c3ccccn3)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826233957 607646583 /nfs/dbraw/zinc/64/65/83/607646583.db2.gz BGXJQPJEJHSBTG-ZHACJKMWSA-N -1 3 396.454 3.881 20 30 GHEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000826250761 607688365 /nfs/dbraw/zinc/68/83/65/607688365.db2.gz QVDMHUFCLIWZQV-ZDUSSCGKSA-N -1 3 378.461 3.822 20 30 GHEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000826250761 607688366 /nfs/dbraw/zinc/68/83/66/607688366.db2.gz QVDMHUFCLIWZQV-ZDUSSCGKSA-N -1 3 378.461 3.822 20 30 GHEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000833412251 605180463 /nfs/dbraw/zinc/18/04/63/605180463.db2.gz JGFRBTZEPWZKFQ-GOSISDBHSA-N -1 3 385.851 3.592 20 30 GHEDHM C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820555470 606324860 /nfs/dbraw/zinc/32/48/60/606324860.db2.gz LOCSXMZNWVIEIJ-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820555470 606324862 /nfs/dbraw/zinc/32/48/62/606324862.db2.gz LOCSXMZNWVIEIJ-JTQLQIEISA-N -1 3 384.852 3.511 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823505141 606389580 /nfs/dbraw/zinc/38/95/80/606389580.db2.gz XVCNIZYAARGHIW-KDVDBFTISA-N -1 3 379.401 3.666 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(Cl)cc(Cl)cc21 ZINC000823504805 606391873 /nfs/dbraw/zinc/39/18/73/606391873.db2.gz UTYKYKFLJRGFBL-XVNBXDOJSA-N -1 3 379.228 3.894 20 30 GHEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000819697725 606436237 /nfs/dbraw/zinc/43/62/37/606436237.db2.gz JZBIFMBCKKPGHN-UHFFFAOYSA-N -1 3 396.838 3.799 20 30 GHEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000819697725 606436238 /nfs/dbraw/zinc/43/62/38/606436238.db2.gz JZBIFMBCKKPGHN-UHFFFAOYSA-N -1 3 396.838 3.799 20 30 GHEDHM N#Cc1csc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822846227 606469385 /nfs/dbraw/zinc/46/93/85/606469385.db2.gz QLKAGQYWWGVQPL-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM N#Cc1csc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822846227 606469387 /nfs/dbraw/zinc/46/93/87/606469387.db2.gz QLKAGQYWWGVQPL-UHFFFAOYSA-N -1 3 389.396 3.811 20 30 GHEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820218767 606658150 /nfs/dbraw/zinc/65/81/50/606658150.db2.gz AIPZLYXSOPCZFD-LBPRGKRZSA-N -1 3 395.398 3.564 20 30 GHEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000820218767 606658151 /nfs/dbraw/zinc/65/81/51/606658151.db2.gz AIPZLYXSOPCZFD-LBPRGKRZSA-N -1 3 395.398 3.564 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819854002 606865066 /nfs/dbraw/zinc/86/50/66/606865066.db2.gz ADBLYHCQGAPCHX-OAHLLOKOSA-N -1 3 394.504 3.999 20 30 GHEDHM C[C@H](C#N)CSc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819854002 606865068 /nfs/dbraw/zinc/86/50/68/606865068.db2.gz ADBLYHCQGAPCHX-OAHLLOKOSA-N -1 3 394.504 3.999 20 30 GHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Br)c(F)c1 ZINC000822922298 607122829 /nfs/dbraw/zinc/12/28/29/607122829.db2.gz FGKCDFVSQPPYAR-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Br)c(F)c1 ZINC000822922298 607122831 /nfs/dbraw/zinc/12/28/31/607122831.db2.gz FGKCDFVSQPPYAR-RQOWECAXSA-N -1 3 379.214 3.726 20 30 GHEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819745824 607197842 /nfs/dbraw/zinc/19/78/42/607197842.db2.gz SCHSQKYXJNTUNV-UHFFFAOYSA-N -1 3 393.838 3.612 20 30 GHEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819745824 607197843 /nfs/dbraw/zinc/19/78/43/607197843.db2.gz SCHSQKYXJNTUNV-UHFFFAOYSA-N -1 3 393.838 3.612 20 30 GHEDHM N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822806274 607199349 /nfs/dbraw/zinc/19/93/49/607199349.db2.gz LORBYVOUMZOXEI-UHFFFAOYSA-N -1 3 397.826 3.847 20 30 GHEDHM N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822806274 607199350 /nfs/dbraw/zinc/19/93/50/607199350.db2.gz LORBYVOUMZOXEI-UHFFFAOYSA-N -1 3 397.826 3.847 20 30 GHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Cc1ccccc1Cl ZINC000823910161 607817359 /nfs/dbraw/zinc/81/73/59/607817359.db2.gz XZRRIMYHCQWDEC-HNNXBMFYSA-N -1 3 395.894 3.914 20 30 GHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Cc1ccccc1Cl ZINC000823910161 607817360 /nfs/dbraw/zinc/81/73/60/607817360.db2.gz XZRRIMYHCQWDEC-HNNXBMFYSA-N -1 3 395.894 3.914 20 30 GHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Cc2c1c(Br)ccc2F ZINC000826475568 607983014 /nfs/dbraw/zinc/98/30/14/607983014.db2.gz KDCRBRUNVBUQAR-FNORWQNLSA-N -1 3 391.225 3.652 20 30 GHEDHM N#C[C@H](OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000826379883 608075706 /nfs/dbraw/zinc/07/57/06/608075706.db2.gz GBNRFSHJYXEUAL-KRWDZBQOSA-N -1 3 395.806 3.771 20 30 GHEDHM N#C[C@H](OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000826379883 608075707 /nfs/dbraw/zinc/07/57/07/608075707.db2.gz GBNRFSHJYXEUAL-KRWDZBQOSA-N -1 3 395.806 3.771 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000825038724 608228173 /nfs/dbraw/zinc/22/81/73/608228173.db2.gz HAIUELLPBLEBAX-QGZVFWFLSA-N -1 3 385.431 3.708 20 30 GHEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000825038724 608228175 /nfs/dbraw/zinc/22/81/75/608228175.db2.gz HAIUELLPBLEBAX-QGZVFWFLSA-N -1 3 385.431 3.708 20 30 GHEDHM C=CCN(Cc1nc2ccc(Cl)cc2n1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914150 608631149 /nfs/dbraw/zinc/63/11/49/608631149.db2.gz BOPLNVHXTJDNGL-UHFFFAOYSA-N -1 3 393.882 3.595 20 30 GHEDHM C=CCN(Cc1nc2ccc(Cl)cc2n1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914150 608631150 /nfs/dbraw/zinc/63/11/50/608631150.db2.gz BOPLNVHXTJDNGL-UHFFFAOYSA-N -1 3 393.882 3.595 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Br)ccc1F ZINC000826400492 608880370 /nfs/dbraw/zinc/88/03/70/608880370.db2.gz ADTFPBJSKLQIGT-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Br)ccc1F ZINC000826400492 608880373 /nfs/dbraw/zinc/88/03/73/608880373.db2.gz ADTFPBJSKLQIGT-KXFIGUGUSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Br)ccc1F ZINC000826400493 608880635 /nfs/dbraw/zinc/88/06/35/608880635.db2.gz ADTFPBJSKLQIGT-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Br)ccc1F ZINC000826400493 608880640 /nfs/dbraw/zinc/88/06/40/608880640.db2.gz ADTFPBJSKLQIGT-QHHAFSJGSA-N -1 3 391.175 3.804 20 30 GHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403116 609134804 /nfs/dbraw/zinc/13/48/04/609134804.db2.gz KCEVEGXLJZXMDU-SOFGYWHQSA-N -1 3 392.312 3.843 20 30 GHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403116 609134805 /nfs/dbraw/zinc/13/48/05/609134805.db2.gz KCEVEGXLJZXMDU-SOFGYWHQSA-N -1 3 392.312 3.843 20 30 GHEDHM CC[C@H](C)[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825053040 609140653 /nfs/dbraw/zinc/14/06/53/609140653.db2.gz ZNBGGBSMKAFMPL-ZOWXZIJZSA-N -1 3 380.477 3.849 20 30 GHEDHM CC[C@H](C)[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825053040 609140656 /nfs/dbraw/zinc/14/06/56/609140656.db2.gz ZNBGGBSMKAFMPL-ZOWXZIJZSA-N -1 3 380.477 3.849 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1OC(C)C ZINC000826215732 609274368 /nfs/dbraw/zinc/27/43/68/609274368.db2.gz XMUMOXNJWDDJEB-CSKARUKUSA-N -1 3 382.395 3.698 20 30 GHEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1OC(C)C ZINC000826215732 609274370 /nfs/dbraw/zinc/27/43/70/609274370.db2.gz XMUMOXNJWDDJEB-CSKARUKUSA-N -1 3 382.395 3.698 20 30 GHEDHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)s2)o1 ZINC000826273369 609387124 /nfs/dbraw/zinc/38/71/24/609387124.db2.gz AQCBQKNJLKPORR-UHFFFAOYSA-N -1 3 376.401 3.621 20 30 GHEDHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)s2)o1 ZINC000826273369 609387126 /nfs/dbraw/zinc/38/71/26/609387126.db2.gz AQCBQKNJLKPORR-UHFFFAOYSA-N -1 3 376.401 3.621 20 30 GHEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OCCCC#N)c1 ZINC000825632471 609477501 /nfs/dbraw/zinc/47/75/01/609477501.db2.gz TXAWTKKPVSAPMG-UHFFFAOYSA-N -1 3 378.436 3.560 20 30 GHEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OCCCC#N)c1 ZINC000825632471 609477502 /nfs/dbraw/zinc/47/75/02/609477502.db2.gz TXAWTKKPVSAPMG-UHFFFAOYSA-N -1 3 378.436 3.560 20 30 GHEDHM N#Cc1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)s1 ZINC000826384694 609487702 /nfs/dbraw/zinc/48/77/02/609487702.db2.gz GFHTUMPXXUHRPM-UHFFFAOYSA-N -1 3 388.456 3.991 20 30 GHEDHM N#Cc1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)s1 ZINC000826384694 609487704 /nfs/dbraw/zinc/48/77/04/609487704.db2.gz GFHTUMPXXUHRPM-UHFFFAOYSA-N -1 3 388.456 3.991 20 30 GHEDHM